727	519	762	0:SP2_SP2_SP2	C[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:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]S[5a])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]S[5a]){1|N<2>,2|C<3>,2|N<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	122.9370	0.000	1	122.9370	0.000	1	122.9370	0.000	1	126.0045	18.819	2	126.2240	9.554	3	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6,6]-3:N[6]-3:	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	129.0720	0.000	1	129.0720	0.000	1	129.0720	0.000	1	126.0045	18.819	2	126.2240	9.554	3	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6,6]	3:3:2:	3:3:	3:3:4:	N[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a]){2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	126.6630	0.000	1	126.6630	0.000	1	126.6630	0.000	1	126.6630	0.000	1	126.2240	9.554	3	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N){1|C<3>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a]){1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|N<2>,1|O<2>,2|N<3>}	132.1560	0.000	1	132.1560	0.000	1	132.1560	0.000	1	132.1560	0.000	1	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	128.9480	0.000	1	128.9480	0.000	1	128.9480	0.000	1	127.8930	2.226	2	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,6]C[6])(S[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,2|C<3>}	126.8380	0.000	1	126.8380	0.000	1	126.8380	0.000	1	127.8930	2.226	2	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<4>,1|N<3>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH){1|H<1>,1|N<3>,2|N<2>}	129.9710	0.208	5	129.9710	0.043	5	129.9710	0.043	5	129.9710	0.043	5	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|H<1>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){2|N<2>,2|N<3>}	131.5340	0.000	1	131.5340	0.000	1	131.5340	0.000	1	130.7776	5.162	5	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]O[5a])(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]O[5a])(C[6]C[6]N){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	132.2070	0.000	1	132.2070	0.000	1	132.2070	0.000	1	130.7776	5.162	5	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N){1|C<3>,1|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a]){1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|N<3>,1|O<2>,2|N<2>}	129.7780	0.000	1	129.7780	0.000	1	129.7780	0.000	1	130.7776	5.162	5	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO)	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO){1|C<3>,1|N<3>,2|N<2>}	133.0420	0.000	1	133.0420	0.000	1	130.1845	16.331	2	130.7776	5.162	5	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH)	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>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH){1|N<2>,5|C<3>}	127.3270	0.000	1	127.3270	0.000	1	130.1845	16.331	2	130.7776	5.162	5	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]){2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	127.6770	0.190	2	127.6770	0.036	2	127.6770	0.036	2	127.6770	0.036	2	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:2:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<2>,2|N<3>}	130.6930	0.571	3	131.8049	0.657	11	131.8049	0.657	11	131.8049	0.657	11	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:2:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|O<1>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<3>,2|N<2>}	132.2219	0.342	8	131.8049	0.657	11	131.8049	0.657	11	131.8049	0.657	11	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:2:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Br)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Br<1>,1|Ir<6>,1|C<3>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Br){1|H<1>,1|N<3>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|H<1>,2|N<3>}	131.9610	0.000	1	131.9610	0.000	1	131.9610	0.000	1	131.9610	0.000	1	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:2:3:	C[5a,6,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]N[5a,6]H)	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]N[5a,6]H){1|C<4>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	134.6600	0.000	1	134.6600	0.000	1	134.6600	0.000	1	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:C-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO){1|C<3>,2|C<4>,2|N<3>}	131.6890	0.000	1	131.6890	0.000	1	131.6890	0.000	1	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|H<1>,1|N<3>,2|C<3>}	132.4610	0.000	1	132.4610	0.000	1	131.7058	0.758	11	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Ru<6>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC){1|C<3>,1|H<1>,2|N<3>}	132.3530	0.000	1	132.3530	0.000	1	131.7058	0.758	11	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	130.4710	0.544	2	131.5500	0.797	9	131.7058	0.758	11	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	131.6430	0.000	1	131.5500	0.797	9	131.7058	0.758	11	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,3|N<3>}	132.2760	0.129	3	131.5500	0.797	9	131.7058	0.758	11	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	131.3900	0.000	1	131.5500	0.797	9	131.7058	0.758	11	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	130.5490	0.000	1	131.5500	0.797	9	131.7058	0.758	11	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){2|Co<6>,1|C<3>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|Co<6>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	132.5980	0.000	1	131.5500	0.797	9	131.7058	0.758	11	131.9318	1.304	13	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:2:4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[6]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|N<2>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	127.6850	0.000	1	127.6850	0.000	1	127.6850	0.000	1	127.6850	0.000	1	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|C<4>,1|N<3>,4|C<3>}	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	130.8690	0.000	1	130.8690	0.000	1	131.0930	0.100	2	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|O<2>,2|C<3>}	131.3170	0.000	1	131.3170	0.000	1	131.0930	0.100	2	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S[5a]){1|O<1>,1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	123.7810	0.000	1	123.7810	0.000	1	125.3470	5.632	6	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Si)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Si){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	122.9735	0.876	2	122.9735	0.768	2	125.3470	5.632	6	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O){1|H<1>,1|N<3>,4|C<3>}	127.5840	0.530	2	127.5840	0.281	2	125.3470	5.632	6	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,4|C<3>}	127.1860	0.000	1	127.1860	0.000	1	125.3470	5.632	6	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	128.5900	0.000	1	128.5900	0.000	1	128.5900	0.000	1	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.5395	0.194	2	130.5395	0.038	2	130.5395	0.038	2	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:1:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a]){1|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	137.3120	0.000	1	137.6627	0.114	3	137.6627	0.114	3	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:1:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a]){1|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	137.8380	0.208	2	137.6627	0.114	3	137.6627	0.114	3	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]N[5a,6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	129.7660	0.000	1	129.7660	0.000	1	129.7660	0.000	1	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	129.8300	0.000	1	129.8300	0.000	1	129.8300	0.000	1	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,3|C<3>}	131.0290	0.000	1	131.0290	0.000	1	131.0290	0.000	1	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.4470	0.000	1	130.4470	0.000	1	130.4470	0.000	1	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(H)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(H){4|C<3>}	126.6240	0.000	1	126.6240	0.000	1	128.2330	5.178	2	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[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]C[6a,6a])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	129.8420	0.000	1	129.8420	0.000	1	128.2330	5.178	2	129.5658	18.058	21	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|N<3>,2|C<3>}	128.7960	0.000	1	128.7960	0.000	1	130.9403	6.140	3	130.1472	4.288	6	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.3720	0.000	1	132.0125	5.382	2	130.9403	6.140	3	130.1472	4.288	6	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|Pt<4>,1|N<3>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	133.6530	0.000	1	132.0125	5.382	2	130.9403	6.140	3	130.1472	4.288	6	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:O-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(OCa)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(OCa){1|C<3>,1|N<2>,2|N<3>}	130.2880	0.389	2	130.2880	0.151	2	130.2880	0.151	2	130.1472	4.288	6	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a]){1|C<3>,1|N<2>,1|N<3>}	127.4860	0.000	1	127.4860	0.000	1	127.4860	0.000	1	130.1472	4.288	6	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,2|N<3>}	132.8450	0.000	1	132.8450	0.000	1	132.8450	0.000	1	131.1784	0.448	53	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	129.5320	0.000	1	129.5320	0.000	1	129.5320	0.000	1	131.1784	0.448	53	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.7350	0.168	3	130.7350	0.028	3	131.1780	0.356	51	131.1784	0.448	53	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.4075	0.199	2	131.4075	0.039	2	131.1780	0.356	51	131.1784	0.448	53	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.3635	0.650	17	131.1910	0.385	45	131.1780	0.356	51	131.1784	0.448	53	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.0815	0.606	26	131.1910	0.385	45	131.1780	0.356	51	131.1784	0.448	53	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,2|N<3>}	131.1475	0.415	2	131.1910	0.385	45	131.1780	0.356	51	131.1784	0.448	53	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NPtH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NPtH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	131.4650	0.000	1	131.4650	0.000	1	131.1780	0.356	51	131.1784	0.448	53	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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:C[5a]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C){1|C<3>,2|H<1>,2|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	126.2750	0.000	1	126.2750	0.000	1	126.2750	0.000	1	128.1145	6.768	2	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,5|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3){1|H<1>,3|C<3>}	129.9540	0.000	1	129.9540	0.000	1	129.9540	0.000	1	128.1145	6.768	2	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:4:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>}	128.7045	0.371	2	128.7045	0.138	2	128.7045	0.138	2	128.7045	0.138	2	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])2(O){1|C<3>,2|N<2>,2|N<3>}	126.6731	0.523	9	126.6731	0.273	9	126.6731	0.273	9	125.6619	2.424	18	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	127.8550	0.000	1	127.4160	0.385	2	127.4160	0.385	2	125.6619	2.424	18	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	126.9770	0.000	1	127.4160	0.385	2	127.4160	0.385	2	125.6619	2.424	18	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]S[5a])	N[5a](C[5a,6]C[5a,6]C[6])(S[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]S[5a]){1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(S[5a]N[5a]){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	123.8607	0.310	7	123.8607	0.096	7	123.8607	0.096	7	125.6619	2.424	18	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6]){1|N<3>,1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|N<2>,1|N<3>,4|C<3>}	125.0160	0.000	1	125.0160	0.000	1	125.0160	0.000	1	126.2114	1.042	16	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	126.4177	0.178	3	126.4177	0.032	3	125.8299	0.260	8	126.2114	1.042	16	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|Fe<6>,1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6]){1|Fe<6>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	125.4772	0.157	5	125.4772	0.025	5	125.8299	0.260	8	126.2114	1.042	16	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	126.7500	0.000	1	126.7500	0.000	1	126.7500	0.000	1	126.2114	1.042	16	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])2(O){1|C<3>,2|N<2>,2|N<3>}	126.0485	2.420	2	126.0485	5.858	2	126.0485	5.858	2	126.2114	1.042	16	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O){1|N<3>,2|C<3>,2|N<2>}	126.7695	0.285	2	126.7695	0.081	2	126.7695	0.081	2	126.2114	1.042	16	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:1:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	127.5070	0.000	1	127.5070	0.000	1	127.5070	0.000	1	126.2114	1.042	16	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:1:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[3x6]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a]){1|Rh<4>,1|C<4>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[3x6]C[5a]){1|Rh<4>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	127.8340	0.000	1	127.8340	0.000	1	127.8340	0.000	1	126.2114	1.042	16	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]N[6])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	131.8660	0.000	1	131.8660	0.000	1	131.8660	0.000	1	131.8660	0.000	1	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]N[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]N[6])(N[5a]C[5a]){1|Rh<8>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]Rh){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	132.1580	0.000	1	132.1580	0.000	1	132.1580	0.000	1	129.7330	2.962	4	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	128.5230	0.277	2	128.5230	0.077	2	128.5230	0.077	2	129.7330	2.962	4	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	129.7280	0.000	1	129.7280	0.000	1	129.7280	0.000	1	129.7330	2.962	4	129.7049	7.919	164	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.4440	0.000	1	122.4440	0.000	1	123.9601	0.700	9	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	124.9690	0.000	1	124.1496	0.431	8	123.9601	0.700	9	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Cd<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Cd<6>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	124.6220	0.000	1	124.1496	0.431	8	123.9601	0.700	9	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Co<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Co<6>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	123.6160	0.000	1	124.1496	0.431	8	123.9601	0.700	9	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Mn<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Mn<6>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	123.9700	0.000	1	124.1496	0.431	8	123.9601	0.700	9	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Ni<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Ni<6>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	124.5140	0.000	1	124.1496	0.431	8	123.9601	0.700	9	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Zn<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Zn<6>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	124.7450	0.000	1	124.1496	0.431	8	123.9601	0.700	9	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	123.3805	0.366	2	124.1496	0.431	8	123.9601	0.700	9	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(S[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(S[5a]C[5a]){3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	126.7310	0.000	1	125.0220	5.841	2	125.0220	5.841	2	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:S[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(S[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(S[5a]C[5a]){3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|S<2>,2|C<3>,2|H<1>}	123.3130	0.000	1	125.0220	5.841	2	125.0220	5.841	2	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){3|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	129.9220	0.000	1	128.8167	3.636	3	128.0193	1.187	42	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){3|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	129.9130	0.000	1	128.8167	3.636	3	128.0193	1.187	42	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){3|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	126.6150	0.000	1	128.8167	3.636	3	128.0193	1.187	42	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){1|S<2>,2|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	128.4240	0.652	2	127.9580	1.036	39	128.0193	1.187	42	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){3|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	127.9328	1.034	37	127.9580	1.036	39	128.0193	1.187	42	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]S[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]S[5a]C[6])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.3710	0.395	2	123.2716	0.728	5	123.2716	0.728	5	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]S[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]S[5a]C[6])(N[5a]C[5a]){3|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.8720	0.163	3	123.2716	0.728	5	123.2716	0.728	5	126.8768	4.672	58	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:2:	3:3:4:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:	C[6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(O[5a]C[5a])	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH)	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH){1|O<2>,3|C<3>}	121.4770	0.000	1	121.4770	0.000	1	121.4770	0.000	1	121.4770	0.000	1	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	123.6130	0.000	1	123.6130	0.000	1	122.5626	3.024	9	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	124.0190	0.658	2	124.0190	0.432	2	122.5626	3.024	9	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	124.1470	0.000	1	124.1470	0.000	1	122.5626	3.024	9	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	121.7060	0.000	1	121.7060	0.000	1	122.5626	3.024	9	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])2	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])2{1|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	122.9380	0.137	2	122.9380	0.019	2	122.5626	3.024	9	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]S[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]S[5a])(C[5a]N[5a]C[6]){4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|S<2>,2|C<3>,2|H<1>}	120.0160	0.000	1	120.0160	0.000	1	122.5626	3.024	9	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]S[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]S[5a]C[6]){4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	119.6670	0.000	1	119.6670	0.000	1	122.5626	3.024	9	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	121.0880	0.132	2	121.4870	0.486	3	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	122.2850	0.000	1	121.4870	0.486	3	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	122.5430	0.000	1	122.0667	0.218	4	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	121.9080	0.420	3	122.0667	0.218	4	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C){2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	122.0710	0.000	1	122.0710	0.000	1	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Cd)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Cd<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Cd){2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	122.9380	0.000	1	122.9380	0.000	1	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Co)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Co<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Co){2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	124.2230	0.000	1	124.2230	0.000	1	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.9600	0.000	1	124.9600	0.000	1	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	124.2800	0.665	2	124.2800	0.442	2	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Mn)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Mn<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Mn){2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	123.7340	0.000	1	123.7340	0.000	1	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Ni)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Ni<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Ni){2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	123.3760	0.000	1	123.3760	0.000	1	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Zn)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Zn<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]Zn){2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	122.6610	0.000	1	122.6610	0.000	1	122.8282	1.482	16	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,4|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	127.3510	0.000	1	127.3510	0.000	1	127.3510	0.000	1	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C){3|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|H<1>,3|C<3>}	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6]C[6]2)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6]C[6]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[6]){1|N<2>,3|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	123.1830	0.000	1	123.1830	0.000	1	123.1830	0.000	1	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2){1|C<4>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6]){1|H<1>,4|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	125.4690	0.000	1	125.4690	0.000	1	123.2755	9.623	2	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]H)(C[6]O[6]N)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6]){1|H<1>,4|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]H)(C[6]O[6]N){4|C<3>}	121.0820	0.000	1	121.0820	0.000	1	123.2755	9.623	2	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	122.4650	0.000	1	122.4650	0.000	1	121.8015	0.880	2	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a])(S[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]S[5a]C[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(S[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]S[5a]C[6]){4|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	121.1380	0.000	1	121.1380	0.000	1	121.8015	0.880	2	122.7580	3.009	32	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	3:3:4:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6])	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH)	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6]){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH){1|O<2>,3|C<3>}	123.9220	0.000	1	123.9220	0.000	1	123.9220	0.000	1	123.9220	0.000	1	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	2:2:3:	3:3:	4:3:3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N)	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|C<4>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N){1|C<4>,1|N<2>,4|C<3>}	129.9180	0.000	1	129.9180	0.000	1	129.9180	0.000	1	129.9180	0.000	1	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:2:	3:3:2:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-2:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){1|N<2>,2|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6]){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	128.9340	0.000	1	128.9340	0.000	1	128.9340	0.000	1	128.9340	0.000	1	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:2:	3:3:3:	C[6]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2{2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.3305	0.298	4	122.3305	0.089	4	122.3305	0.089	4	124.0830	14.744	7	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:2:	3:3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Cu<6>,1|H<1>,3|C<3>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	129.5510	0.000	1	129.5510	0.000	1	129.5695	0.001	2	124.0830	14.744	7	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:2:	3:3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Zn<6>,1|H<1>,3|C<3>}	N[5a](C[5a]O[5a]C[6])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	129.5880	0.000	1	129.5880	0.000	1	129.5695	0.001	2	124.0830	14.744	7	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:2:	3:3:3:	C[6]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]S[5a]C[6])(N[5a]C[5a]){1|N<3>,2|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	120.1200	0.000	1	120.1200	0.000	1	120.1200	0.000	1	124.0830	14.744	7	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:3:	3:2:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[6]-2:C[6]-3:	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O)	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|O<2>,3|C<3>}	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	126.2970	0.000	1	126.2970	0.000	1	126.2970	0.000	1	126.2970	0.000	1	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:3:	3:3:2:	C[6]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:N[6]-2:	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]O)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]O){1|N<2>,2|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,3|C<3>}	125.2590	0.000	1	125.2590	0.000	1	125.2590	0.000	1	125.3720	0.026	2	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:3:	3:3:2:	C[6]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,3|H<1>}	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	125.4850	0.000	1	125.4850	0.000	1	125.4850	0.000	1	125.3720	0.026	2	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])2	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])2{1|H<1>,2|C<3>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	123.1860	0.000	1	123.1860	0.000	1	123.1860	0.000	1	124.3575	8.143	14	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	122.1020	0.000	1	122.1020	0.000	1	124.4324	1.920	5	124.3575	8.143	14	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2{2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.0150	0.545	4	125.0150	0.297	4	124.4324	1.920	5	124.3575	8.143	14	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H){1|N<3>,2|C<3>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	128.2840	6.677	2	128.2840	44.576	2	128.2840	44.576	2	124.3575	8.143	14	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|Re<6>,2|C<3>,3|H<1>}	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	123.1815	1.617	6	123.1815	2.614	6	123.1815	2.614	6	124.3575	8.143	14	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:N[6]-2:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6])	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|N<2>}	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	124.9870	0.000	1	124.9870	0.000	1	128.7413	3.002	9	128.7413	3.002	9	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:N[6]-2:	C[5a](N[5a]N[5a]Fe)(N[5a]N[5a])(C[6]N[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(N[6]C[6])	C[5a](N[5a]N[5a]Fe)(N[5a]N[5a])(C[6]N[6]2){2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Fe<6>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(N[6]C[6]){1|C<3>,2|H<1>,2|N<2>}	129.9938	0.441	4	129.9938	0.194	4	128.7413	3.002	9	128.7413	3.002	9	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:N[6]-2:	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(C[6]N[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(N[6]C[6])	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(C[6]N[6]2){2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Mn<6>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(N[6]C[6]){1|C<3>,2|H<1>,2|N<2>}	127.1270	0.000	1	127.1270	0.000	1	128.7413	3.002	9	128.7413	3.002	9	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:N[6]-2:	C[5a](N[5a]N[5a]Ni)(N[5a]N[5a])(C[6]N[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(N[6]C[6])	C[5a](N[5a]N[5a]Ni)(N[5a]N[5a])(C[6]N[6]2){2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Ni<6>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(N[6]C[6]){1|C<3>,2|H<1>,2|N<2>}	128.8610	0.456	3	128.8610	0.208	3	128.7413	3.002	9	128.7413	3.002	9	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.0795	0.026	2	122.0795	0.001	2	120.0691	2.700	14	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	122.2525	1.232	2	122.2525	1.519	2	120.0691	2.700	14	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a]){1|C<4>,1|I<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	119.2304	0.996	10	119.2304	0.992	10	120.0691	2.700	14	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(C[6]C[6]2){1|H<1>,2|C<2>,2|C<4>}	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2{1|O<2>,3|C<3>}	121.3040	0.000	1	121.3040	0.000	1	121.3040	0.000	1	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]2){2|H<1>,5|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.6845	2.272	2	121.6845	5.162	2	123.9227	3.907	16	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<2>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|H<1>,2|C<3>,2|N<2>}	122.9370	0.000	1	124.0037	0.886	4	123.9227	3.907	16	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.1610	0.000	1	124.0037	0.886	4	123.9227	3.907	16	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	123.9585	0.422	2	124.0037	0.886	4	123.9227	3.907	16	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	121.4253	0.458	3	121.4253	0.210	3	123.9227	3.907	16	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	125.7386	0.642	5	125.7386	0.412	5	123.9227	3.907	16	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|N<2>,3|H<1>}	125.2055	0.422	2	125.2055	0.178	2	123.9227	3.907	16	122.0979	6.841	31	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:4:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){3|C<4>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	123.0690	0.000	1	123.0690	0.000	1	121.8065	3.188	2	121.8065	3.188	2	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:4:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CuH)(C[6]C[6]H)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(C[6]C[6]2){1|Cu<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a]){1|C<4>,1|P<4>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CuH)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	120.5440	0.000	1	120.5440	0.000	1	121.8065	3.188	2	121.8065	3.188	2	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-2:C[6]-2:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){1|C<3>,5|C<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6]){3|C<2>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|C<2>,1|N<3>,2|C<3>}	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	121.2390	49.695	3	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:2:2:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-2:N[6]-2:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]N[5a]2)(N[6]N[6])2	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2){2|H<1>,2|N<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(N[6]N[6])2{1|H<1>,2|C<4>,3|C<3>}	125.2990	0.699	2	125.2990	0.488	2	125.2990	0.488	2	121.2390	49.695	3	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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:	C[5a]-3:C[6]-3:C[6]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2){1|H<1>,6|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){1|C<2>,1|N<2>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	117.1970	0.000	1	117.1970	0.000	1	117.1970	0.000	1	120.8045	26.028	2	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-2:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[6]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,3|C<3>}	124.4120	0.000	1	124.4120	0.000	1	124.4120	0.000	1	120.8045	26.028	2	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a,6]C[6])(N[5a]C[5a,6]H)	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(C[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a]C[5a,6]C[6])(N[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{2|C<3>,2|H<1>,2|N<3>}	118.4197	0.177	3	118.4197	0.031	3	119.7254	4.809	5	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<3>,2|C<4>,3|C<3>}	119.8970	0.000	1	119.8970	0.000	1	119.7254	4.809	5	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2{1|N<3>,2|C<3>,3|H<1>}	123.4710	0.000	1	123.4710	0.000	1	119.7254	4.809	5	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	119.2415	2.013	2	119.2415	4.053	2	119.2373	1.217	6	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[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:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	119.2352	0.823	4	119.2352	0.677	4	119.2373	1.217	6	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3580	0.000	1	121.3580	0.000	1	123.1783	2.370	6	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{3|C<3>,3|H<1>}	124.4050	0.000	1	124.4050	0.000	1	123.1783	2.370	6	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	123.3540	1.862	3	123.3268	2.314	4	123.1783	2.370	6	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	123.2450	0.000	1	123.3268	2.314	4	123.1783	2.370	6	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Al<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	126.9260	0.317	2	126.3300	1.116	3	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Al<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	125.1380	0.000	1	126.3300	1.116	3	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,4|C<3>}	124.4310	0.000	1	126.7428	1.445	6	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	127.2052	0.451	5	126.7428	1.445	6	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	124.4210	0.000	1	125.7725	3.653	2	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Cu<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,4|C<3>}	127.1240	0.000	1	125.7725	3.653	2	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,4|C<3>}	128.8260	0.000	1	128.8260	0.000	1	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|Mn<6>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	123.8050	0.000	1	123.8050	0.000	1	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	125.5140	0.158	2	125.5140	0.025	2	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Os)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Os)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,3|C<3>}	124.6365	0.551	2	124.6365	0.303	2	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Re)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Re)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,3|C<3>}	125.8960	0.000	1	125.8960	0.000	1	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	125.7326	0.516	5	125.9075	0.397	6	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,3|C<3>}	126.7820	0.000	1	125.9075	0.397	6	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,3|C<3>}	124.4750	0.849	2	125.4190	3.033	3	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,4|C<3>}	127.3070	0.000	1	125.4190	3.033	3	125.9823	1.665	27	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	123.4240	0.000	1	122.4700	1.820	2	122.8890	1.437	3	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	121.5160	0.000	1	122.4700	1.820	2	122.8890	1.437	3	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H){1|Pt<4>,1|N<2>,2|H<1>,4|C<3>}	123.7270	0.000	1	123.7270	0.000	1	122.8890	1.437	3	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	N[6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](N[6]C[6,6a]Cu)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,4|C<3>}	124.7907	0.834	3	124.7907	0.695	3	126.2340	3.591	6	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	N[6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,4|C<3>}	128.4775	0.472	2	128.4775	0.222	2	126.2340	3.591	6	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	N[6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](N[6]C[6,6a]Ir)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,4|C<3>}	126.0770	0.000	1	126.0770	0.000	1	126.2340	3.591	6	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|Co<6>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	120.2720	0.000	1	120.2720	0.000	1	123.4858	2.433	12	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|Fe<6>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	120.6730	0.000	1	120.6730	0.000	1	123.4858	2.433	12	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	123.7400	0.490	3	123.7400	0.240	3	123.4858	2.433	12	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	124.1460	0.348	2	124.1460	0.121	2	123.4858	2.433	12	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	124.4470	0.000	1	124.4470	0.000	1	123.4858	2.433	12	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	123.4185	0.387	2	123.4185	0.150	2	123.4858	2.433	12	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])2	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])2{1|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	125.0445	0.955	2	125.0445	0.913	2	123.4858	2.433	12	123.9439	8.327	66	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:4:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.0060	0.000	1	122.0060	0.000	1	122.0060	0.000	1	121.4125	0.704	2	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){2|C<4>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	121.4125	0.704	2	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:2:3:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[6](C[6]C[6]TbO)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|Tb<12>,1|H<1>,1|O<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]TbO)(C[5a]N[5a]2)(C[6]C[6]H){1|Br<1>,1|H<1>,1|O<3>,3|C<3>}	124.4630	0.000	1	124.4630	0.000	1	124.4630	0.000	1	124.4630	0.000	1	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:2:2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	122.0385	0.105	2	120.1059	1.901	10	120.1059	1.901	10	120.1059	1.901	10	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:2:2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a]){1|O<2>,2|N<2>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|O<2>,2|N<2>}	119.9580	0.808	6	120.1059	1.901	10	120.1059	1.901	10	120.1059	1.901	10	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:2:2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a]){1|O<2>,2|N<2>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|Co<6>,1|C<3>,1|O<2>,2|N<2>}	118.6170	1.342	2	120.1059	1.901	10	120.1059	1.901	10	120.1059	1.901	10	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:N[6]-3:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(N[6]O[6]Co)(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|Co<6>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a]){1|O<2>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6]Co)(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	120.1975	0.616	2	120.1975	0.379	2	120.1975	0.379	2	120.1975	0.379	2	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C)	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	122.1683	1.630	4	122.1683	2.656	4	122.9038	2.245	10	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|N<2>}	123.0645	0.685	4	123.0645	0.469	4	122.9038	2.245	10	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	125.7740	0.000	1	125.7740	0.000	1	122.9038	2.245	10	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Mn<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){1|Mn<6>,1|C<3>,2|H<1>,2|N<2>}	122.3330	0.000	1	122.3330	0.000	1	122.9038	2.245	10	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|Cu<6>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	125.4690	0.000	1	125.4690	0.000	1	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cd)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cd)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Cd<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	125.9670	0.000	1	125.9670	0.000	1	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cd)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cd)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Cd<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	126.1750	0.000	1	126.1750	0.000	1	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Co<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	128.0290	0.000	1	128.0290	0.000	1	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Co<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	128.0140	0.000	1	128.0140	0.000	1	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Cu<4>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	128.4516	0.658	5	128.4516	0.433	5	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Cu<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	126.8132	0.644	4	126.8132	0.415	4	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Fe<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	130.4383	3.376	4	128.9196	4.987	20	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Fe<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	128.8267	0.874	3	128.9196	4.987	20	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Fe<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,2|N<2>}	133.0070	0.000	1	128.9196	4.987	20	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Fe<8>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	128.0959	1.505	12	128.9196	4.987	20	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Fe<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	127.2030	0.000	1	127.2030	0.000	1	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	129.9622	0.298	4	129.9622	0.089	4	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	130.0650	0.000	1	130.0650	0.000	1	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Mn<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	126.7805	0.185	2	126.7805	0.034	2	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Mn<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	126.6215	0.228	2	126.6215	0.052	2	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Ni<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	128.1930	0.000	1	128.1930	0.000	1	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Ru<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	131.2910	0.000	1	131.2910	0.000	1	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Zn<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,2|N<2>}	128.4590	0.023	2	128.4590	0.001	2	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Zn<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	127.4990	0.177	2	127.4990	0.031	2	128.3375	3.443	50	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	N[6]-3:C[5a]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|Fe<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	132.1178	1.634	4	132.1178	2.670	4	132.1178	2.670	4	127.6595	8.485	65	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	116.4650	0.000	1	116.4650	0.000	1	116.4650	0.000	1	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a]Os)(C[6]C[6]N[6])(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[5a]C[5a]Os)(C[6]C[6]N[6])(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){1|Os<7>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	126.5460	0.000	1	126.5460	0.000	1	126.5460	0.000	1	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	118.0850	0.000	1	120.1595	2.724	6	120.1595	2.724	6	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	120.5744	1.454	5	120.1595	2.724	6	120.1595	2.724	6	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	123.6150	0.000	1	123.6150	0.000	1	123.7427	0.305	3	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	123.2650	0.000	1	123.2650	0.000	1	123.7427	0.305	3	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])2	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])2{1|H<1>,2|C<3>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	124.3480	0.000	1	124.3480	0.000	1	123.7427	0.305	3	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	129.1150	0.167	2	129.1150	0.028	2	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|Fe<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,4|C<3>}	127.6720	0.025	2	127.6720	0.001	2	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ir)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]2)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ir)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]2){1|Ir<6>,1|N<3>,4|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	126.7200	0.000	1	126.7200	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Mn)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Mn)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,4|C<3>}	127.9965	0.822	2	127.9965	0.676	2	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|C<3>,1|N<3>,2|N<2>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	128.6750	0.000	1	128.6750	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|C<3>,1|N<3>,2|N<2>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H){1|H<1>,1|N<2>,2|C<3>}	126.5760	0.000	1	126.5760	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<5>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	128.8540	0.000	1	131.6588	1.981	6	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	132.2198	0.341	5	131.6588	1.981	6	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H){1|H<1>,1|N<2>,2|C<3>}	127.9480	0.000	1	127.9480	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	129.0170	0.000	1	129.0170	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Cu<5>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]N[6]H){1|H<1>,1|N<2>,2|C<3>}	130.0870	0.000	1	130.0870	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Cu<4>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	126.6780	0.771	2	126.8005	0.258	4	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Cu<4>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	126.9230	0.348	2	126.8005	0.258	4	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6]){1|Fe<6>,1|C<3>,3|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	127.8750	0.000	1	127.8750	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	127.9630	0.000	1	128.2707	0.745	13	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	128.2963	0.896	12	128.2707	0.745	13	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	128.4406	0.820	5	128.4406	0.672	5	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mg)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Mg)(C[6]C[6]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mg)(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Mg<6>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mg)(C[6]C[6]C){1|N<2>,2|C<3>,2|H<1>}	128.1375	0.711	2	128.1375	0.505	2	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Mn<6>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	127.5085	0.971	2	127.5085	0.943	2	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ni<6>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	129.5340	0.000	1	129.5340	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Os<6>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	130.0615	0.423	4	130.0615	0.179	4	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[6](C[5a]N[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pd<4>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	131.4465	0.561	2	131.4465	0.314	2	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<3>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	130.9775	0.371	2	130.2117	0.511	7	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	129.9054	0.567	5	130.2117	0.511	7	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	130.2170	0.000	1	130.2170	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]N[6]H){1|H<1>,1|N<2>,2|C<3>}	131.2660	0.000	1	131.2660	0.000	1	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Zn<5>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	127.8070	0.000	1	126.8507	0.870	3	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Zn<6>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	126.3725	0.606	2	126.8507	0.870	3	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6]){1|Zn<5>,1|C<3>,1|N<2>,2|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	128.1820	0.000	1	128.3285	0.043	2	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6]){1|Zn<5>,1|C<3>,3|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	128.4750	0.000	1	128.3285	0.043	2	128.9012	2.683	66	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6,6]-3:C[5a]-3:C[6]-3:	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P)	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,2|C<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6]){3|C<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P){2|C<3>,4|C<2>}	122.5050	0.000	1	122.5050	0.000	1	122.5050	0.000	1	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:	C[5a](C[6]C[6,6a]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ir)(C[5a]N[5a]2)	C[5a](C[6]C[6,6a]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ir)(C[5a]N[5a]2){1|H<1>,1|N<2>,5|C<3>}	130.5870	0.000	1	130.5870	0.000	1	130.5870	0.000	1	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6]Fe)(C[6]C[6]N[6])(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](N[5a]C[5a,6]Fe)(C[6]C[6]N[6])(N[5a]C[5a,6]){1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6]){1|Fe<6>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,3|C<3>}	125.4638	0.891	5	125.4638	0.794	5	125.8080	1.346	6	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	762	0:SP2_SP2_SP2	C[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6]Zn)(C[6]C[6]N[6])(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](N[5a]C[5a,6]Zn)(C[6]C[6]N[6])(N[5a]C[5a,6]){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6]){1|Zn<5>,1|N<3>,3|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,4|C<3>}	127.5290	0.000	1	127.5290	0.000	1	125.8080	1.346	6	127.5452	11.176	86	125.5074	13.084	397	126.7318	15.163	564
727	519	770	0:SP2_SP2_SP2	C[5a]	N[5a]	B	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	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)	B(C[5a]N[5a]2)2(NCC)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[5a]N){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B){4|C<3>}	B(C[5a]N[5a]2)2(NCC)	125.7170	0.509	2	125.7170	0.259	2	125.7170	0.259	2	125.0737	1.371	3	125.0737	1.371	3	125.0737	1.371	3
727	519	770	0:SP2_SP2_SP2	C[5a]	N[5a]	B	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N-3:	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)	B(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[6a]N){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B){1|C<3>,1|H<1>}	B(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]C)	123.7870	0.000	1	123.7870	0.000	1	123.7870	0.000	1	125.0737	1.371	3	125.0737	1.371	3	125.0737	1.371	3
727	519	786	0:SP2_SP2_SP3	C[5a]	N[5a]	B[5,5]	4:3:2:	3:3:	3:4:2:2:	B[5,5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a])	N[5a](C[5a]B[5,5]C[5a])(C[5a]S[5a]N)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|C<4>}	N[5a](C[5a]B[5,5]C[5a])(C[5a]S[5a]N){1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|S<2>,2|O<1>,5|H<1>}	118.3845	0.074	2	118.3845	0.006	2	118.3845	0.006	2	118.8133	0.554	3	118.8133	0.554	3	118.8133	0.554	3
727	519	786	0:SP2_SP2_SP3	C[5a]	N[5a]	B[5,5]	4:3:2:	3:3:	3:4:2:2:	B[5,5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]B[5,5]C[5a])(N[5a]C[5a]C[6a])	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a]){3|C<3>,4|C<4>}	N[5a](C[5a]B[5,5]C[5a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<4>,2|C<3>,2|O<2>}	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,5|H<1>}	119.6710	0.000	1	119.6710	0.000	1	119.6710	0.000	1	118.8133	0.554	3	118.8133	0.554	3	118.8133	0.554	3
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl)	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl){2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl){1|H<1>,2|C<3>}	Cl(C[5a]N[5a]2)	122.0143	0.143	4	122.0143	0.021	4	122.0143	0.021	4	122.2411	1.752	28	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a]Cl)2	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl){1|Cl<1>,1|H<1>}	N[5a](C[5a]N[5a]Cl)2{1|H<1>}	Cl(C[5a]N[5a]2)	124.4580	0.000	1	124.4580	0.000	1	124.4580	0.000	1	122.2411	1.752	28	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl){1|Cl<1>,1|H<1>}	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H){1|Cl<1>}	Cl(C[5a]N[5a]2)	121.4450	0.000	1	121.4450	0.000	1	121.4450	0.000	1	122.2411	1.752	28	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:Cl-1:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){3|C<3>}	Cl(C[5a]N[5a]2)	119.3845	0.298	4	119.3845	0.089	4	119.3845	0.089	4	122.2411	1.752	28	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	2:2:1:	3:3:	3:	N[5a]-2:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]S[5a]Cl)	Cl(C[5a]N[5a]S[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]S[5a]Cl){1|C<4>}	Cl(C[5a]N[5a]S[5a])	122.8330	0.000	1	122.8330	0.000	1	122.8474	0.116	18	122.2411	1.752	28	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	2:2:1:	3:3:	3:	N[5a]-2:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl)	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C)	Cl(C[5a]N[5a]S[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl){1|C<4>,1|H<1>}	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C){1|H<1>}	Cl(C[5a]N[5a]S[5a])	122.5700	0.000	1	122.5700	0.000	1	122.8474	0.116	18	122.2411	1.752	28	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	2:2:1:	3:3:	3:	N[5a]-2:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl)	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)	Cl(C[5a]N[5a]S[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl){1|C<4>,1|H<1>}	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H){1|C<4>}	Cl(C[5a]N[5a]S[5a])	122.8657	0.355	16	122.8657	0.126	16	122.8474	0.116	18	122.2411	1.752	28	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:O[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]O[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(O[5a]C[5a])	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]I)(N[5a]O[5a])(Cl){1|C<3>}	N[5a](C[5a]C[5a]Cl)(O[5a]C[5a]){1|C<3>,1|I<1>}	Cl(C[5a]C[5a]N[5a])	119.7130	0.000	1	119.7130	0.000	1	120.9915	3.269	2	121.3764	7.807	10	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:O[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(O[5a]N[5a])	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(O[5a]N[5a]){1|N<2>}	Cl(C[5a]C[5a]N[5a])	122.2700	0.000	1	122.2700	0.000	1	120.9915	3.269	2	121.3764	7.807	10	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:S[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(S[5a]C[5a])	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl){1|C<3>}	N[5a](C[5a]C[5a]Cl)(S[5a]C[5a]){1|Cl<1>,1|C<3>}	Cl(C[5a]C[5a]N[5a])	119.8357	0.678	6	119.8357	0.460	6	119.8357	0.460	6	121.3764	7.807	10	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:2:	3:	N[5a,6a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])	Cl(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(Cl){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a]){2|N<2>}	Cl(C[5a]N[5a,6a]N[5a])	126.4480	0.000	1	126.4480	0.000	1	126.4480	0.000	1	121.3764	7.807	10	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:2:	3:	N[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(N[5a]N[5a])	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(Cl){2|C<3>}	N[5a](C[5a]N[5a]Cl)(N[5a]N[5a]){1|C<3>}	Cl(C[5a]N[5a]2)	126.3190	0.000	1	126.3190	0.000	1	126.3190	0.000	1	121.3764	7.807	10	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a,6a]Cl)(C[5a]N[5a,6a]C)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(C[5a]N[5a,6a]C){2|C<3>}	Cl(C[5a]C[5a,6a]N[5a])	122.0810	0.219	2	122.0810	0.048	2	122.0810	0.048	2	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	Cl(C[5a]C[5a,6a]N[5a])	120.5180	0.347	9	120.3101	0.254	12	120.3434	0.247	13	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	Cl(C[5a]C[5a,6a]N[5a])	119.4910	0.214	2	120.3101	0.254	12	120.3434	0.247	13	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	Cl(C[5a]C[5a,6a]N[5a])	120.0770	0.000	1	120.3101	0.254	12	120.3434	0.247	13	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H){2|C<3>}	Cl(C[5a]C[5a,6a]N[5a])	120.7430	0.000	1	120.7430	0.000	1	120.3434	0.247	13	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	Cl(C[5a]C[5a]N[5a])	122.1960	0.000	1	122.1960	0.000	1	122.1960	0.000	1	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl){2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Cl){1|H<1>,1|P<4>,2|C<3>}	Cl(C[5a]C[5a]N[5a])	119.3180	0.000	1	119.3180	0.000	1	119.3180	0.000	1	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(Cl){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C){1|C<3>}	Cl(C[5a]C[5a]N[5a])	121.0830	0.000	1	121.0830	0.000	1	120.8091	0.914	14	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){1|C<3>,1|H<1>}	Cl(C[5a]C[5a]N[5a])	121.2473	0.217	4	120.8746	0.211	8	120.8091	0.914	14	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){2|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){1|C<3>,1|C<4>}	Cl(C[5a]C[5a]N[5a])	120.3737	0.120	3	120.8746	0.211	8	120.8091	0.914	14	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){2|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){2|C<4>}	Cl(C[5a]C[5a]N[5a])	120.8870	0.000	1	120.8746	0.211	8	120.8091	0.914	14	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H){1|Cl<1>,1|C<4>}	Cl(C[5a]C[5a]N[5a])	121.6275	0.704	2	121.6275	0.495	2	120.8091	0.914	14	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl){1|Rh<8>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh){1|Cl<1>,1|C<4>}	Cl(C[5a]C[5a]N[5a])	121.3890	0.000	1	121.3890	0.000	1	120.8091	0.914	14	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H){1|C<4>,1|H<1>}	Cl(C[5a]C[5a]N[5a])	120.6390	0.000	1	120.6390	0.000	1	120.8091	0.914	14	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]S[5a]Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl){1|Cl<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]S[5a]Cl){1|C<4>}	Cl(C[5a]C[5a]N[5a])	117.9640	0.000	1	117.9640	0.000	1	120.8091	0.914	14	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(Cl){1|Ni<4>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C){1|Ni<4>,1|C<3>}	Cl(C[5a]C[5a]N[5a])	118.2130	0.000	1	118.2130	0.000	1	119.4350	2.987	2	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(Cl){2|H<1>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H){1|H<1>,1|N<2>}	Cl(C[5a]C[5a]N[5a])	120.6570	0.000	1	120.6570	0.000	1	119.4350	2.987	2	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	N[5a]-3:N[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]Ir)(N[5a]C[5a,6])(Cl)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Cl)	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]Ir)(N[5a]C[5a,6])(Cl){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Cl){1|Ir<6>,1|C<4>,2|C<3>}	Cl(C[5a]N[5a]2)	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	N[5a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	Cl(C[5a]N[5a]2)	123.6072	0.575	5	123.6072	0.331	5	123.5508	0.284	6	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	N[5a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	Cl(C[5a]N[5a]2)	123.2690	0.000	1	123.2690	0.000	1	123.5508	0.284	6	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	N[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N)	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Cl){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N){1|C<4>,1|H<1>}	Cl(C[5a]N[5a]2)	124.8480	0.000	1	124.8480	0.000	1	124.6120	0.202	3	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	N[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N)	Cl(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(Cl){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N){2|H<1>}	Cl(C[5a]N[5a]2)	124.0940	0.000	1	124.0940	0.000	1	124.6120	0.202	3	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	790	0:SP2_SP-NON_SP2	C[5a]	N[5a]	Cl	3:2:1:	3:3:	3:	N[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)2	Cl(C[5a]N[5a]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(Cl){1|Cl<1>}	N[5a](C[5a]N[5a]Cl)2{1|H<1>}	Cl(C[5a]N[5a]2)	124.8940	0.000	1	124.8940	0.000	1	124.6120	0.202	3	121.3025	2.662	43	121.6361	3.063	81	121.6361	3.063	81
727	519	813	0:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,6a]	3:3:2:	3:3:	3:3:3:	N[5,5a]-3:N[5,6a]-3:N[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-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])	N[5a](C[5,5a]N[5,5a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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]){1|H<1>,1|S<1>,4|C<3>}	N[5a](C[5,5a]N[5,5a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	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>}	135.2560	0.000	1	135.2560	0.000	1	135.2560	0.000	1	135.2560	0.000	1	135.2560	0.000	1	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a,5a]-3:N[5a]-2:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]O)(H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]H){1|O<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]O)(H){3|C<3>}	134.2460	0.000	1	134.2460	0.000	1	134.2460	0.000	1	134.2460	0.000	1	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a,5a]-3:N[5a]-2:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	136.3830	0.000	1	136.3830	0.000	1	136.3830	0.000	1	136.3830	0.000	1	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a]){1|C<2>,1|C<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	132.8670	0.000	1	131.9167	0.870	4	131.9167	0.870	4	131.9167	0.870	4	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	131.6000	0.839	3	131.9167	0.870	4	131.9167	0.870	4	131.9167	0.870	4	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[6a]-3:N[5a]-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])(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	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>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	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>}	139.2027	0.530	8	139.2409	0.272	12	139.2409	0.272	12	139.2409	0.272	12	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[6a]-3:N[5a]-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])(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	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>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	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>}	139.3500	0.701	3	139.2409	0.272	12	139.2409	0.272	12	139.2409	0.272	12	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[6a]-3:N[5a]-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])(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	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>}	139.2190	0.000	1	139.2409	0.272	12	139.2409	0.272	12	139.2409	0.272	12	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N-3:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){2|N<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N)(NHH){1|C<3>,1|N<2>}	141.0350	0.000	1	141.0350	0.000	1	141.0350	0.000	1	141.0350	0.000	1	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	141.8942	0.769	4	141.8942	0.591	4	141.8700	0.446	5	141.8700	0.446	5	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){2|N<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	141.7730	0.000	1	141.7730	0.000	1	141.8700	0.446	5	141.8700	0.446	5	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	138.8720	0.356	2	138.8720	0.127	2	138.8720	0.127	2	138.8720	0.127	2	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-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[5a,6a]C[5a,6a]C[6a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	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>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	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>}	138.1290	0.000	1	138.1290	0.000	1	138.1290	0.000	1	138.1290	0.000	1	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	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])(C[5a]C[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2)	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>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	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>}	130.5190	0.000	1	130.5190	0.000	1	130.5035	0.000	2	132.4703	11.606	3	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	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])(C[5a]S[5a]Si)	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2)	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>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Si){3|C<3>}	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>}	130.4880	0.000	1	130.4880	0.000	1	130.5035	0.000	2	132.4703	11.606	3	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	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]C[5a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	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>}	136.4040	0.000	1	136.4040	0.000	1	136.4040	0.000	1	132.4703	11.606	3	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Br<1>,1|N<2>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	129.9860	0.134	2	129.9860	0.018	2	130.4467	0.542	24	130.6515	1.569	25	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	130.1011	0.199	8	130.1011	0.040	8	130.4467	0.542	24	130.6515	1.569	25	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|H<1>,1|N<2>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	130.1577	0.349	4	130.1577	0.122	4	130.4467	0.542	24	130.6515	1.569	25	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Si)	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CC3)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Si){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CC3){2|C<3>,2|S<2>}	131.1544	0.907	8	131.1544	0.823	8	130.4467	0.542	24	130.6515	1.569	25	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Si)	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Si){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	130.0365	0.021	2	130.0365	0.000	2	130.4467	0.542	24	130.6515	1.569	25	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	135.5670	0.000	1	135.5670	0.000	1	135.5670	0.000	1	130.6515	1.569	25	134.5299	20.679	55	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:2:	3:3:2:	N[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(O[5a]N[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(O[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|O<2>,2|N<3>}	128.4340	0.000	1	128.4340	0.000	1	128.4340	0.000	1	128.4340	0.000	1	129.0451	0.671	15	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]C[6a]N[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a]){1|N<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	128.7100	0.000	1	128.7100	0.000	1	128.7100	0.000	1	128.7100	0.000	1	129.0451	0.671	15	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5,6]C[5a])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5,6]C[5a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	130.1640	0.000	1	130.1640	0.000	1	129.1179	0.737	13	129.1179	0.737	13	129.0451	0.671	15	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	129.5603	0.141	3	129.5603	0.020	3	129.1179	0.737	13	129.1179	0.737	13	129.0451	0.671	15	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	129.4342	0.240	6	128.8542	0.812	9	129.1179	0.737	13	129.1179	0.737	13	129.0451	0.671	15	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){4|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	127.6943	0.275	3	128.8542	0.812	9	129.1179	0.737	13	129.1179	0.737	13	129.0451	0.671	15	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]N[5a]){1|N<3>,2|C<3>,3|N<2>}	N[5a](C[5a,6a]N[5a,6a]2)(N[5a]C[5a]){4|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	129.3340	1.850	3	129.3340	3.421	3	129.3340	3.421	3	129.3340	3.421	3	129.0781	0.649	16	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	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](C[5a,6a]N[5a,6a]2)(C[5a]N[5a]O)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]N[5a]O){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	129.9300	0.000	1	129.9300	0.000	1	129.0191	0.221	13	129.0191	0.221	13	129.0781	0.649	16	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	128.9432	0.399	12	128.9432	0.159	12	129.0191	0.221	13	129.0191	0.221	13	129.0781	0.649	16	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a]){2|N<2>,4|N<3>}	125.3770	0.000	1	125.3770	0.000	1	125.3770	0.000	1	123.4446	2.008	9	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.9190	0.000	1	124.9190	0.000	1	124.9190	0.000	1	123.4446	2.008	9	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,3|N<3>}	122.0160	0.000	2	122.0160	0.000	2	122.9579	1.416	7	123.4446	2.008	9	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	121.6490	0.000	1	122.0755	0.364	2	122.9579	1.416	7	123.4446	2.008	9	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	122.5020	0.000	1	122.0755	0.364	2	122.9579	1.416	7	123.4446	2.008	9	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|N<2>,1|N<3>}	124.1740	0.428	3	124.1740	0.183	3	122.9579	1.416	7	123.4446	2.008	9	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|N<3>,2|C<3>}	121.8450	0.000	1	121.8450	0.000	1	121.8450	0.000	1	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a]){2|N<2>,4|N<3>}	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.1750	0.000	1	122.1750	0.000	1	122.1750	0.000	1	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,3|N<3>}	123.4250	0.000	2	123.4250	0.000	2	122.5160	0.883	7	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	123.3680	0.000	1	122.9370	0.372	2	122.5160	0.883	7	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	122.5060	0.000	1	122.9370	0.372	2	122.5160	0.883	7	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|N<2>,1|N<3>}	121.6293	0.528	3	121.6293	0.279	3	122.5160	0.883	7	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|N<3>,2|C<3>}	120.8170	0.000	1	120.8170	0.000	1	120.8170	0.000	1	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O[5a])	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	125.8000	0.000	1	125.8000	0.000	1	125.8000	0.000	1	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a])	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){4|C<3>}	121.6280	0.470	2	121.6280	0.220	2	121.6280	0.220	2	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	125.9290	0.000	1	125.9290	0.000	1	124.6960	3.041	2	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){3|C<3>}	123.4630	0.000	1	123.4630	0.000	1	124.6960	3.041	2	122.6342	2.294	17	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2{1|C<3>,1|N<3>}	121.6480	0.000	1	121.6480	0.000	1	121.6480	0.000	1	121.7270	0.715	6	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2{1|C<3>,1|N<3>}	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	121.7270	0.715	6	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	120.3380	0.000	1	120.3380	0.000	1	120.3380	0.000	1	121.7270	0.715	6	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,2|C<3>}	122.7690	0.000	1	122.7690	0.000	1	122.3197	0.245	3	121.7270	0.715	6	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){5|C<3>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)2{2|C<3>,2|H<1>}	121.7890	0.000	1	121.7890	0.000	1	122.3197	0.245	3	121.7270	0.715	6	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C){3|C<3>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)2{2|C<3>,2|H<1>}	122.4010	0.000	1	122.4010	0.000	1	122.3197	0.245	3	121.7270	0.715	6	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[5a]C[5a]2){6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]2){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2	C[5a](C[5a]N[5a]N)(N[5a]N[5a]2)(N[5a]O[5a]){2|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]N[5a]){3|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2{1|O<2>,4|N<2>}	122.3840	0.000	1	122.3840	0.000	1	122.3840	0.000	1	122.3840	0.000	1	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.0460	0.000	1	121.0460	0.000	1	121.0460	0.000	1	123.6614	2.537	5	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	123.5970	0.000	1	123.5970	0.000	1	123.8760	0.156	2	123.6614	2.537	5	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[5a]-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)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	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>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|H<1>,2|N<2>,3|C<3>}	124.1550	0.000	1	124.1550	0.000	1	123.8760	0.156	2	123.6614	2.537	5	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,2|N<3>}	125.3330	0.000	1	125.3330	0.000	1	124.7545	0.669	2	123.6614	2.537	5	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]Mn)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|Mn<6>,1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|Mn<6>,2|N<2>}	124.1760	0.000	1	124.1760	0.000	1	124.7545	0.669	2	123.6614	2.537	5	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	121.4190	0.000	1	121.4190	0.000	1	121.4190	0.000	1	121.3192	7.008	8	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	119.2900	0.000	1	119.2900	0.000	1	119.2300	0.803	4	121.3192	7.008	8	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	119.8285	0.330	2	119.8285	0.109	2	119.2300	0.803	4	121.3192	7.008	8	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<1>,1|S<2>,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>}	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	117.9730	0.000	1	117.9730	0.000	1	119.2300	0.803	4	121.3192	7.008	8	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|C<4>,3|C<3>}	122.0110	0.000	1	122.0110	0.000	1	124.0717	3.225	3	121.3192	7.008	8	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	125.1020	0.284	2	125.1020	0.081	2	124.0717	3.225	3	121.3192	7.008	8	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	118.5265	0.350	2	118.5265	0.123	2	119.1565	0.592	4	120.4720	9.096	5	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	119.7865	0.254	2	119.7865	0.064	2	119.1565	0.592	4	120.4720	9.096	5	122.3740	3.979	52	128.7681	38.662	139
727	519	813	0:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	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[5a]N[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2)	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>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2){1|N<2>,5|C<3>}	125.7340	0.000	1	125.7340	0.000	1	125.7340	0.000	1	120.4720	9.096	5	122.3740	3.979	52	128.7681	38.662	139
727	519	813	5:SP2_SP2_SP2	C[5,5a,6]	N[5a]	N[5,5a,6]	3:4:2:	3:2:	3:4:2:	N[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5a,6]-3:N[5a]-2:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a])	N[5a](C[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]N[5a])	N[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a])	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a]){1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]N[5a]){1|O<2>,3|C<4>}	N[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:2:	3:3:3:	N[5,5a]-3:O[5]-2:N[5a]-2:	C[5,5a]-3:S[5a]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(O[5]C[5,6a])(N[5a]S[5a])	N[5a](C[5,5a]N[5,5a]O[5])(S[5a]C[5a])	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]O[5])(C[5a]S[5a]N)	C[5,5a](N[5,5a]C[5,6a]C[5a])(O[5]C[5,6a])(N[5a]S[5a]){1|N<2>,2|C<3>}	N[5a](C[5,5a]N[5,5a]O[5])(S[5a]C[5a]){1|N<2>,2|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]O[5])(C[5a]S[5a]N){1|H<1>,2|C<3>}	122.4390	0.000	1	122.4390	0.000	1	122.4390	0.000	1	117.4065	50.652	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:2:	3:3:3:	N[5,5a]-3:S[5]-2:N[5a]-2:	C[5,5a]-3:N[5a]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(S[5]C[5,6a])(N[5a]N[5a])	N[5a](C[5,5a]N[5,5a]S[5])(N[5a]C[5a])	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a])	C[5,5a](N[5,5a]C[5,6a]C[5a])(S[5]C[5,6a])(N[5a]N[5a]){3|C<3>}	N[5a](C[5,5a]N[5,5a]S[5])(N[5a]C[5a]){3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	112.3740	0.000	1	112.3740	0.000	1	112.3740	0.000	1	117.4065	50.652	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	3:3:2:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5,5])	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]N[5a]H)	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5,5]){1|H<1>,1|O<1>,2|C<4>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]N[5a]H){1|C<3>,1|C<4>}	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>}	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	3:3:3:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5,5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<3>,2|C<4>}	114.4527	0.166	3	114.4527	0.028	3	114.4527	0.028	3	114.4944	0.023	5	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	3:3:3:	N[5,5a]-3:S[5]-2:N[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(S[5]C[5,6a])(N[5a]C[5a])	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]I)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])	C[5,5a](N[5,5a]C[5,6a]C[5a])(S[5]C[5,6a])(N[5a]C[5a]){1|I<1>,3|C<3>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]I){3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	114.5570	0.157	2	114.5570	0.025	2	114.5570	0.025	2	114.4944	0.023	5	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	3:3:4:	N[5,5a]-3:N[5a]-2:O[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(O[5]C[5])	N[5a](C[5,5a]N[5,5a]O[5])(C[5a]C[5a]Br)	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(O[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5,5a]N[5,5a]O[5])(C[5a]C[5a]Br){1|C<3>,2|C<4>}	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>}	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	115.0858	0.357	6	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	3:3:4:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(S[5]C[5])	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6a])	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(S[5]C[5]){2|C<3>,4|H<1>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6a]){2|C<4>,3|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	113.9320	0.000	1	113.9320	0.000	1	113.9320	0.000	1	115.0858	0.357	6	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	3:3:4:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5]){2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|H<1>,2|C<3>,2|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	115.1735	0.107	2	115.2278	0.010	4	115.2278	0.010	4	115.0858	0.357	6	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	3:3:4:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	115.2820	0.075	2	115.2278	0.010	4	115.2278	0.010	4	115.0858	0.357	6	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	3:4:2:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5])	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[6a]N[5a])	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5]){1|O<2>,3|C<3>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[6a]N[5a]){1|C<4>,3|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a]){4|C<3>}	112.6890	1.165	2	112.6890	1.358	2	112.6890	1.358	2	112.6890	1.358	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	4:3:3:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|H<1>,2|C<3>,2|C<4>}	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	114.1500	0.000	1	114.1500	0.000	1	114.1500	0.000	1	114.1500	0.000	1	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:2:	3:4:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]N[5a])	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H){4|H<1>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]N[5a]){1|H<1>,2|C<4>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){3|H<1>}	109.6450	0.000	1	109.6450	0.000	1	110.5060	1.483	2	110.5060	1.483	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:2:	3:4:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]N[5a])	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N){4|H<1>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]N[5a]){1|N<2>,2|C<4>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){1|N<2>,2|H<1>}	111.3670	0.000	1	111.3670	0.000	1	110.5060	1.483	2	110.5060	1.483	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:3:	3:3:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5])	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H){1|H<1>,2|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>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5]){1|N<3>,2|H<1>}	113.5000	0.000	1	113.5000	0.000	1	113.9310	0.217	7	113.9310	0.217	7	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:3:	3:3:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5])	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<2>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,3|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5]){1|H<1>,2|N<2>}	113.7660	0.000	1	114.0028	0.217	6	113.9310	0.217	7	113.9310	0.217	7	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:3:	3:3:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5])	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|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>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5]){1|H<1>,2|N<3>}	114.1307	0.273	3	114.0028	0.217	6	113.9310	0.217	7	113.9310	0.217	7	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:3:	3:3:2:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5])	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|N<3>,2|H<1>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5]){1|N<3>,2|H<1>}	113.9295	0.904	2	114.0028	0.217	6	113.9310	0.217	7	113.9310	0.217	7	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:3:	3:3:3:	N[5,5a]-3:N[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a])(C[5]C[5,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a])(C[5]C[5,6a]O){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){1|H<1>,1|O<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|O<1>,2|H<1>,4|C<3>}	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:3:	3:3:4:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	117.0800	0.000	1	117.0800	0.000	1	117.1470	0.009	2	117.1470	0.009	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:3:	3:3:4:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	117.2140	0.000	1	117.2140	0.000	1	117.1470	0.009	2	117.1470	0.009	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:3:	3:3:	3:4:3:	N[5,5a]-3:N[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N)	N[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N)	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|S<2>,2|C<3>,2|N<2>}	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N){1|N<2>,3|C<3>}	112.9000	0.000	1	112.9000	0.000	1	112.9000	0.000	1	112.9000	0.000	1	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:4:	3:3:	3:3:4:	N[5,5a]-3:N[5a]-2:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH){2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){2|C<3>,2|H<1>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	114.5900	0.000	1	114.5900	0.000	1	114.1684	0.101	9	114.1684	0.101	9	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:2:4:	3:3:	3:3:4:	N[5,5a]-3:N[5a]-2:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	114.1158	0.295	8	114.1158	0.087	8	114.1684	0.101	9	114.1684	0.101	9	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:2:	6:3:2:	N[5,5a]-3:C[5,6]-3:N[5a]-2:	C[5,5a]-3:N[5a]-2:	Si[5,5]-6:C[5,5a]-3:N[5a]-2:	C[5,5a](N[5,5a]Si[5,5]N[5a])(C[5,6]N[5,6]C[6])(N[5a]N[5a])	N[5a](C[5,5a]N[5,5a]C[5,6])(N[5a]N[5a])	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])	C[5,5a](N[5,5a]Si[5,5]N[5a])(C[5,6]N[5,6]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>,2|N<2>,2|N<3>}	N[5a](C[5,5a]N[5,5a]C[5,6])(N[5a]N[5a]){1|Si<6>,1|C<3>,1|N<3>}	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>}	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(N[5a]C[5a]){1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	112.3095	0.421	2	112.3095	0.177	2	112.3095	0.177	2	114.1485	5.718	4	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:3:3:	N[5,5a]-3:N[5,6a]-3:N[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-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])	N[5a](C[5,5a]N[5,5a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S)	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>}	N[5a](C[5,5a]N[5,5a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S){1|H<1>,4|C<3>}	117.3010	0.000	1	117.3010	0.000	1	117.3010	0.000	1	114.1485	5.718	4	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:3:3:	N[5,5a]-3:N[5]-3:N[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<2>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|H<1>,3|C<3>}	114.6740	0.000	1	114.6740	0.000	1	114.6740	0.000	1	114.1485	5.718	4	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	114.9740	0.000	1	114.9740	0.000	1	114.9740	0.000	1	114.9740	0.000	1	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a])	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,1|S<2>,5|C<3>}	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	112.5240	0.000	1	112.5240	0.000	1	112.6480	0.031	2	112.6984	0.061	7	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a])	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){6|C<3>}	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,1|S<2>,4|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	112.7720	0.000	1	112.7720	0.000	1	112.6480	0.031	2	112.6984	0.061	7	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a])	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a]){1|H<1>,2|N<2>,4|C<3>}	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a]){7|C<3>}	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	112.6984	0.061	7	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	112.7825	0.287	4	112.7825	0.082	4	112.7825	0.082	4	112.6984	0.061	7	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	4:3:3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a]){9|C<3>}	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	113.4265	0.282	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	4:3:3:	N[5,5a]-3:C[5,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5,5a])	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a])	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5,5a]){1|C<4>,5|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a]){9|C<3>}	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	113.4265	0.282	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:4:2:	3:3:	3:3:3:	N[5,5a]-3:P[5]-4:N[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(P[5]C[5,6a]CO)(N[5a]C[5a])	N[5a](C[5,5a]N[5,5a]P[5])(C[5a]C[5a]H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(P[5]C[5,6a]CO)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5,5a]N[5,5a]P[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:4:2:	3:3:	3:3:4:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a]){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.2220	0.000	1	114.2220	0.000	1	114.0850	0.038	2	114.0850	0.038	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5,5a]	N[5a]	N[5,5a]	3:4:2:	3:3:	3:3:4:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH){2|C<3>,2|O<2>,3|H<1>}	113.9480	0.000	1	113.9480	0.000	1	114.0850	0.038	2	114.0850	0.038	2	113.9481	3.385	57	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a]){6|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,4|C<3>}	109.8140	0.000	1	109.8140	0.000	1	109.6445	0.057	2	109.6445	0.057	2	109.6445	0.057	2	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]H){4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|H<1>}	109.4750	0.000	1	109.4750	0.000	1	109.6445	0.057	2	109.6445	0.057	2	109.6445	0.057	2	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6a]C[5a,6a]2)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a,6a]C[5a,6a])(C[5a]C[5a,6a]H)	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6a]C[5a,6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a,6a]C[5a,6a])(C[5a]C[5a,6a]H){4|C<3>}	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|C<3>,3|H<1>}	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	110.8950	0.000	1	110.8950	0.000	1	111.3588	0.190	22	111.3588	0.190	22	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	111.4800	0.343	4	111.4612	0.245	13	111.3588	0.190	22	111.3588	0.190	22	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a]){1|N<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	111.4528	0.568	9	111.4612	0.245	13	111.3588	0.190	22	111.3588	0.190	22	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	111.2028	0.115	4	111.1594	0.025	7	111.3588	0.190	22	111.3588	0.190	22	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){2|C<4>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	111.1017	0.216	3	111.1594	0.025	7	111.3588	0.190	22	111.3588	0.190	22	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|S<2>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>}	111.8880	0.000	1	111.8880	0.000	1	111.3588	0.190	22	111.3588	0.190	22	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:2:	3:3:3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]N[5a]){3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a]){3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	112.2766	0.475	5	112.2766	0.226	5	112.0873	0.255	7	112.0873	0.255	7	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:2:	3:3:3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3]){2|C<3>,2|C<4>,2|H<1>}	111.6140	0.040	2	111.6140	0.002	2	112.0873	0.255	7	112.0873	0.255	7	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|N<2>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	113.3185	0.433	2	113.3185	0.188	2	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	112.7368	0.320	9	112.7555	0.069	14	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<4>}	112.6780	0.000	1	112.7555	0.069	14	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	112.8170	0.127	4	112.7555	0.069	14	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a]){4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	111.4050	0.000	1	111.4050	0.000	1	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|O<1>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a]){4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){2|C<3>}	111.3720	0.000	1	111.3720	0.000	1	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C){2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	112.7130	0.000	1	112.7130	0.000	1	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	111.4720	0.000	1	111.4720	0.000	1	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	110.3870	0.000	1	110.9630	0.664	2	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	111.5390	0.000	1	110.9630	0.664	2	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	112.0730	0.000	1	112.0730	0.000	1	112.4424	0.564	23	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:2:	N[5a,5a]-3:O[5a]-2:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a]){4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	112.5092	0.646	24	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	115.5275	0.223	2	115.5275	0.050	2	115.1118	0.259	10	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	115.0320	0.000	1	115.0320	0.000	1	115.1118	0.259	10	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	114.8235	0.679	4	114.8235	0.461	4	115.1118	0.259	10	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a]){1|O<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	115.2457	0.281	3	115.2457	0.079	3	115.1118	0.259	10	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C){3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	112.8810	0.248	3	112.8810	0.061	3	112.8986	4.799	17	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,3|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2{1|C<4>,1|H<1>}	112.8590	0.000	1	112.8590	0.000	1	112.8986	4.799	17	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	113.5282	0.117	4	112.4433	11.245	7	112.8986	4.799	17	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	115.7170	0.000	1	112.4433	11.245	7	112.8986	4.799	17	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){2|C<3>}	108.6365	4.798	2	112.4433	11.245	7	112.8986	4.799	17	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){5|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	113.4453	1.091	6	113.4453	1.191	6	112.8986	4.799	17	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6]C[5a])(S[5a]C[5a,6])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br)	C[5a,5a](N[5a,5a]C[5a,6]C[5a])(S[5a]C[5a,6])(N[5a]C[5a]){1|Br<1>,1|C<3>,2|C<4>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|Br<1>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br){1|C<3>,2|C<4>,2|H<1>}	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]Br)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|Br<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|Br<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	114.5150	0.000	1	114.5150	0.000	1	113.7090	0.157	9	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	113.7920	0.377	3	113.7920	0.142	3	113.7090	0.157	9	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	113.4513	0.161	3	113.4513	0.026	3	113.7090	0.157	9	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]S)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|S<2>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|S<2>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]S){1|H<1>,3|C<3>}	113.4950	0.000	1	113.4950	0.000	1	113.7090	0.157	9	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]I)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|I<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]I){3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	113.6410	0.000	1	113.6410	0.000	1	113.7090	0.157	9	113.7321	3.099	37	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:3:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[5a]S[5a]C)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]S[5a]S)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[5a]S[5a]C){1|S<1>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]S[5a]S){1|H<1>,3|C<3>}	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	115.1670	1.804	3	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:3:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	116.2900	0.000	1	116.2900	0.000	1	115.9110	0.287	2	115.1670	1.804	3	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:2:3:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]H){1|O<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	115.5320	0.000	1	115.5320	0.000	1	115.9110	0.287	2	115.1670	1.804	3	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){2|N<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){2|N<3>}	113.9990	0.000	1	113.9990	0.000	1	113.9990	0.000	1	113.9990	0.000	1	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a])	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a]){1|C<4>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	111.6322	0.366	10	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|N<2>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,2|C<4>}	111.1240	0.263	2	111.1240	0.069	2	111.1240	0.069	2	111.6322	0.366	10	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N)	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){2|N<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|H<1>,1|N<3>}	111.2910	0.000	1	111.2910	0.000	1	111.2910	0.000	1	111.6322	0.366	10	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	111.3895	0.052	2	111.3895	0.003	2	111.3895	0.003	2	111.6322	0.366	10	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C)	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	111.5140	0.000	1	111.7465	0.167	4	111.7465	0.167	4	111.6322	0.366	10	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C)	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	111.8240	0.464	3	111.7465	0.167	4	111.7465	0.167	4	111.6322	0.366	10	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	114.8107	3.943	4	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	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[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]N[5a]C)	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>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]N[5a]C){1|H<1>,3|C<3>}	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	114.8107	3.943	4	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]N)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]N){1|C<4>,1|H<1>,3|C<3>}	115.7670	0.000	1	115.7670	0.000	1	115.3135	0.411	2	114.8107	3.943	4	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	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]C[5a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	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>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){2|H<1>,3|C<3>}	114.8600	0.000	1	114.8600	0.000	1	115.3135	0.411	2	114.8107	3.943	4	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:4:	N[5a,5a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,5a]C[5a,6])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a]){1|H<1>,2|F<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,5a]C[5a,6]){1|B<4>,1|N<3>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF){5|C<3>}	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:4:2:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C)	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C){1|B<4>,1|C<3>,1|N<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,6|C<3>}	112.8650	0.000	1	112.8650	0.000	1	112.8650	0.000	1	112.8650	0.000	1	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]2)	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a]){1|H<1>,2|F<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]2){1|B<4>,1|N<3>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,4|C<3>}	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	114.9326	0.097	5	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|C<4>,2|F<1>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	114.6940	0.040	2	114.6940	0.002	2	114.9135	0.127	4	114.9326	0.097	5	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|H<1>,2|F<1>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,2|H<1>}	114.8270	0.000	1	114.8270	0.000	1	114.9135	0.127	4	114.9326	0.097	5	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,2|F<1>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|H<1>,2|F<1>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N){1|C<3>,2|H<1>}	115.4390	0.000	1	115.4390	0.000	1	114.9135	0.127	4	114.9326	0.097	5	112.8794	2.747	115	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a]){1|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6]){2|H<1>,4|C<3>}	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	107.9143	0.253	3	107.9143	0.253	3	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a]){1|H<1>,5|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){1|C<4>,1|H<1>,4|C<3>}	108.2730	0.000	1	108.2020	0.010	2	108.2020	0.010	2	107.9143	0.253	3	107.9143	0.253	3	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a]){1|H<1>,5|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){2|H<1>,4|C<3>}	108.1310	0.000	1	108.2020	0.010	2	108.2020	0.010	2	107.9143	0.253	3	107.9143	0.253	3	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:2:2:	N[5a,6]-3:N[6]-2:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[6]-2:N[5a]-2:	C[5a,6](N[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a]){1|C<3>,1|N<3>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a]){1|C<3>,1|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a]){2|C<3>}	107.0950	0.000	1	107.0950	0.000	1	107.0950	0.000	1	107.0950	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6]){1|C<3>,1|N<3>,1|O<1>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]){1|N<2>,2|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6]){2|N<3>}	111.3040	0.000	1	111.3040	0.000	1	111.3040	0.000	1	110.6242	0.162	36	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	110.0430	0.000	1	110.4913	0.159	3	110.6414	0.109	34	110.6242	0.162	36	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>}	110.7155	0.128	2	110.4913	0.159	3	110.6414	0.109	34	110.6242	0.162	36	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|N<2>,2|C<3>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|N<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	110.8515	0.292	2	110.6550	0.156	12	110.6414	0.109	34	110.6242	0.162	36	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	110.7002	0.334	9	110.6550	0.156	12	110.6414	0.109	34	110.6242	0.162	36	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|N<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){4|C<3>}	109.8550	0.000	1	110.6550	0.156	12	110.6414	0.109	34	110.6242	0.162	36	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|N<2>,2|C<4>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	110.6233	0.255	18	110.6565	0.082	19	110.6414	0.109	34	110.6242	0.162	36	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|C<4>,2|C<3>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){2|C<3>}	111.2540	0.000	1	110.6565	0.082	19	110.6414	0.109	34	110.6242	0.162	36	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:N[5a]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a]){2|C<3>}	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>}	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	110.6242	0.162	36	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:2:	3:3:4:	N[5a,6]-3:S[6]-2:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH)	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH){4|C<3>}	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:2:2:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,2|H<1>}	115.7130	0.000	1	115.7130	0.000	1	115.7130	0.000	1	115.7130	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:2:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]N[6])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	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>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|N<2>}	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>}	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	110.9650	2.699	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:2:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H){3|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6]){1|H<1>,2|N<2>}	111.8220	0.000	1	111.9120	0.016	2	111.9120	0.016	2	110.9650	2.699	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:2:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H){3|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6]){1|N<2>,2|H<1>}	112.0020	0.000	1	111.9120	0.016	2	111.9120	0.016	2	110.9650	2.699	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6])	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6]){1|N<2>,4|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6]C){1|H<1>,3|C<3>}	112.4430	0.672	2	112.4430	0.451	2	112.4430	0.451	2	113.6799	0.864	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N){1|H<1>,4|C<3>}	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	113.6799	0.864	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	114.8750	0.000	1	114.8750	0.000	1	114.2398	0.217	5	113.6799	0.864	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O){1|H<1>,4|C<3>}	113.7040	0.000	1	113.7040	0.000	1	114.2398	0.217	5	113.6799	0.864	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]){1|Se<2>,1|C<4>,1|H<1>,4|C<3>}	114.2067	0.293	3	114.2067	0.086	3	114.2398	0.217	5	113.6799	0.864	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.8460	0.000	1	113.8460	0.000	1	113.7720	0.207	4	113.7720	0.207	4	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.3180	0.000	1	113.3180	0.000	1	113.7720	0.207	4	113.7720	0.207	4	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.9620	0.580	2	113.9620	0.336	2	113.7720	0.207	4	113.7720	0.207	4	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|C<3>,2|C<4>,2|N<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a]){1|H<1>,2|C<3>}	109.5785	0.151	2	109.5785	0.023	2	110.0480	0.673	3	110.0480	0.673	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	110.9870	0.000	1	110.9870	0.000	1	110.0480	0.673	3	110.0480	0.673	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:2:	3:3:	4:3:2:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:C[5a]-3:	C[6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6,6])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:2:3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,2|O<1>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a]){1|H<1>,2|C<3>}	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>}	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	109.1880	1.992	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:2:3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6](N[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,3|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>}	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>}	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	109.1880	1.992	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a]){1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|O<2>,2|N<3>}	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C)	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>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	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>}	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	114.0730	12.883	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,6]C[6])(S[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	114.0730	12.883	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	109.6880	0.000	1	109.8437	1.993	7	109.8637	1.712	8	109.8637	1.712	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	109.5510	0.472	2	109.8437	1.993	7	109.8637	1.712	8	109.8637	1.712	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a]){1|H<1>,2|C<4>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	112.9530	0.000	1	109.8437	1.993	7	109.8637	1.712	8	109.8637	1.712	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	109.0543	0.048	3	109.8437	1.993	7	109.8637	1.712	8	109.8637	1.712	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]N[6]C)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]N[6]C){1|C<3>,3|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a]){1|N<3>,2|C<4>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	110.0040	0.000	1	110.0040	0.000	1	109.8637	1.712	8	109.8637	1.712	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:2:3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	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>}	110.6965	0.108	2	110.6965	0.012	2	110.5983	0.035	3	110.5983	0.035	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:2:3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<3>}	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>}	110.4020	0.000	1	110.4020	0.000	1	110.5983	0.035	3	110.5983	0.035	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	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>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|H<1>,2|C<3>}	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>}	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:	C[5a,5a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]N[5a,6]C[6]){1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){2|H<1>,4|C<3>}	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	112.0269	1.551	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6]){1|H<1>,1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	112.0269	1.551	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>}	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	112.0269	1.551	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){2|C<3>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	112.0269	1.551	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	112.7030	0.000	1	112.7030	0.000	1	112.3615	0.233	2	112.0269	1.551	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[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]C[6a,6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.0200	0.000	1	112.0200	0.000	1	112.3615	0.233	2	112.0269	1.551	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	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[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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|H<1>,4|C<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]){1|N<2>,2|H<1>,5|C<3>}	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	112.0269	1.551	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	112.0269	1.551	8	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6])	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	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>}	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	114.2400	0.000	1	114.2400	0.000	1	114.2400	0.000	1	114.5270	0.283	4	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){4|H<1>,5|C<3>}	114.3890	0.000	1	114.6227	0.370	3	114.6227	0.370	3	114.5270	0.283	4	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	114.7395	0.811	2	114.6227	0.370	3	114.6227	0.370	3	114.5270	0.283	4	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<4>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	110.7880	0.000	1	110.7880	0.000	1	111.1173	0.109	6	111.1173	0.109	6	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	110.8290	0.000	1	110.8290	0.000	1	111.1173	0.109	6	111.1173	0.109	6	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|H<1>,2|C<4>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	110.8330	0.000	1	110.8330	0.000	1	111.1173	0.109	6	111.1173	0.109	6	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	111.4360	0.000	1	111.4180	0.000	3	111.1173	0.109	6	111.1173	0.109	6	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:4:2:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	111.4090	0.016	2	111.4180	0.000	3	111.1173	0.109	6	111.1173	0.109	6	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:4:3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H){2|C<4>,2|H<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	111.8140	0.651	2	111.8140	0.423	2	111.8140	0.423	2	111.8140	0.423	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	4:3:3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	114.4730	0.042	2	114.7360	0.208	3	114.7360	0.208	3	114.7360	0.208	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:3:	3:3:	4:3:3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|O<1>,2|H<1>,7|C<3>}	115.2620	0.000	1	114.7360	0.208	3	114.7360	0.208	3	114.7360	0.208	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5,6]HH){1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	113.4430	0.000	1	113.4430	0.000	1	113.7050	0.137	2	113.7050	0.137	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]S[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]S[6]HH){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|S<2>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|S<2>,4|C<3>,4|H<1>}	113.9670	0.000	1	113.9670	0.000	1	113.7050	0.137	2	113.7050	0.137	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	113.3749	0.195	7	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,2|C<3>,4|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	113.3400	0.000	1	113.3400	0.000	1	113.4865	0.129	6	113.3749	0.195	7	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|C<3>,2|H<1>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	112.9140	0.000	1	112.9140	0.000	1	113.4865	0.129	6	113.3749	0.195	7	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO){1|C<4>,2|C<3>,5|H<1>}	113.3520	0.000	1	113.3520	0.000	1	113.4865	0.129	6	113.3749	0.195	7	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	113.6200	0.000	1	113.7455	0.032	2	113.4865	0.129	6	113.3749	0.195	7	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.8710	0.000	1	113.7455	0.032	2	113.4865	0.129	6	113.3749	0.195	7	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	113.8220	0.000	1	113.8220	0.000	1	113.4865	0.129	6	113.3749	0.195	7	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:4:3:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(C[6]C[5,6]HH){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|Cl<1>,2|C<4>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.9790	0.000	1	113.9790	0.000	1	113.9790	0.000	1	113.9790	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:2:	3:4:2:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a]){1|H<1>,2|C<3>}	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,5|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|H<1>,1|S<2>,4|C<3>}	114.3190	0.000	1	114.3190	0.000	1	114.1010	0.093	4	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){6|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|H<1>,1|S<2>,6|C<3>}	114.1210	0.000	1	114.1210	0.000	1	114.1010	0.093	4	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|C<4>,5|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	114.3010	0.000	1	114.3010	0.000	1	114.1010	0.093	4	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	113.6630	0.000	1	113.6630	0.000	1	114.1010	0.093	4	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-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])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H){2|H<1>,4|C<3>}	112.9800	0.000	1	112.9800	0.000	1	112.9303	0.043	9	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-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])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,4|C<3>}	112.8697	0.083	3	112.8468	0.008	5	112.9303	0.043	9	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-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])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){3|H<1>,4|C<3>}	112.8125	0.121	2	112.8468	0.008	5	112.9303	0.043	9	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-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])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	113.2280	0.000	1	113.2280	0.000	1	112.9303	0.043	9	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-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])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){1|H<1>,4|C<3>}	113.2650	0.000	1	113.2650	0.000	1	112.9303	0.043	9	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-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])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N){1|H<1>,4|C<3>}	112.6660	0.000	1	112.6660	0.000	1	112.9303	0.043	9	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){6|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O){1|H<1>,5|C<3>}	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	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](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])	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[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>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a]){1|Pd<7>,5|C<3>}	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>}	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){8|C<3>}	113.0370	0.042	2	113.0370	0.002	2	113.0370	0.002	2	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[3x6]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]C[6a])(C[5a]N[5a]Rh)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a]){1|Rh<4>,1|C<4>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[3x6]C[5a]){1|Rh<4>,1|H<1>,2|C<3>,3|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]C[6a])(C[5a]N[5a]Rh){1|C<4>,1|H<1>,4|C<3>}	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]C[5a]H){4|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	116.2410	0.000	1	116.2410	0.000	1	116.2410	0.000	1	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5,6]C[5a])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5,6]N[5])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5,6]C[5a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5,6]N[5])(C[5a]C[5a]H){1|Cu<5>,1|H<1>,4|C<3>}	112.6420	0.000	1	112.6420	0.000	1	112.6420	0.000	1	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){4|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	114.3703	0.181	3	114.3703	0.033	3	114.9040	17.382	14	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	115.7106	5.502	8	115.0495	22.481	11	114.9040	17.382	14	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	113.2867	0.214	3	115.0495	22.481	11	114.9040	17.382	14	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[6]C[5a,6]C)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[6]C[5a,6]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|C<4>}	112.7890	0.000	1	112.7890	0.000	1	112.7890	0.000	1	113.7218	7.877	37	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	113.9710	0.000	1	113.9710	0.000	1	114.1671	0.234	7	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	113.6030	0.205	2	114.1998	0.272	6	114.1671	0.234	7	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	114.4982	0.288	4	114.1998	0.272	6	114.1671	0.234	7	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	111.7850	0.000	1	111.7850	0.000	1	111.7850	0.000	1	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	114.9460	0.000	1	114.9460	0.000	1	113.1090	0.355	22	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H){1|S<2>,2|H<1>,5|C<3>}	113.1230	0.174	2	113.1230	0.030	2	113.1090	0.355	22	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO){2|H<1>,5|C<3>}	112.7617	0.160	3	112.7617	0.026	3	113.1090	0.355	22	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C){1|N<2>,2|H<1>,5|C<3>}	113.5170	0.000	1	113.5170	0.000	1	113.1090	0.355	22	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){1|N<2>,2|H<1>,5|C<3>}	112.8150	0.000	1	112.9956	0.271	11	113.1090	0.355	22	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	113.0137	0.545	10	112.9956	0.271	11	113.1090	0.355	22	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){2|H<1>,4|C<3>}	113.4660	0.330	2	113.1132	0.206	4	113.1090	0.355	22	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){2|C<3>,2|C<4>,2|N<2>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){2|H<1>,4|C<3>}	112.7605	0.114	2	113.1132	0.206	4	113.1090	0.355	22	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,7|C<3>}	111.2730	0.000	1	111.2730	0.000	1	111.6770	0.112	4	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){1|H<1>,5|C<3>}	111.8117	0.243	3	111.8117	0.059	3	111.6770	0.112	4	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){1|C<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H){8|C<3>}	112.7240	0.570	2	112.7240	0.325	2	112.7240	0.325	2	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	N[5,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C)	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5,6]){1|H<1>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	114.9910	0.000	1	114.9910	0.000	1	114.9910	0.000	1	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	N[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a]){2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6]){1|H<1>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	112.7410	0.000	1	112.7410	0.000	1	112.7410	0.000	1	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	N[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C){1|C<4>,3|H<1>,5|C<3>}	113.7370	0.000	1	113.7370	0.000	1	113.7370	0.000	1	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:4:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,2|C<3>,2|F<1>}	110.1940	0.378	2	110.1940	0.143	2	110.1940	0.143	2	113.0090	1.210	41	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a]){1|H<1>,7|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a]){1|H<1>,9|C<3>}	111.9610	0.000	1	111.9610	0.000	1	112.0013	0.002	3	112.0013	0.002	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a]){1|H<1>,7|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,8|C<3>}	112.0215	0.026	2	112.0215	0.001	2	112.0013	0.002	3	112.0013	0.002	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	4:3:2:	N[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	110.7523	0.388	4	110.7523	0.150	4	110.6096	0.215	5	110.7492	0.288	6	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	4:3:2:	N[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C)	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C){1|H<1>,2|C<4>}	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	110.0390	0.000	1	110.0390	0.000	1	110.6096	0.215	5	110.7492	0.288	6	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:3:2:	3:3:	4:3:2:	N[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){2|H<1>,4|C<3>}	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	110.7492	0.288	6	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:2:	3:2:2:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(O[6]C[6])	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>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	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>}	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:2:	3:3:2:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.8670	0.000	1	110.8670	0.000	1	110.8670	0.000	1	110.3235	0.591	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:2:	3:3:2:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(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])	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>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	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>}	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	110.3235	0.591	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:2:	3:3:3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:2:	3:4:2:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){1|C<3>,4|C<4>,4|H<1>}	N[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]N[5a]){1|N<2>,3|C<4>}	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<4>}	109.3460	0.000	1	109.5806	0.314	5	109.4188	0.408	6	109.0979	0.357	11	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:2:	3:4:2:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){1|C<3>,4|C<4>,5|H<1>}	N[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]N[5a]){1|N<3>,3|C<4>}	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	109.6393	0.629	4	109.5806	0.314	5	109.4188	0.408	6	109.0979	0.357	11	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:2:	3:4:2:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){2|C<3>,2|C<4>,6|H<1>}	N[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]N[5a]){1|N<3>,3|C<4>}	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	108.6100	0.000	1	108.6100	0.000	1	109.4188	0.408	6	109.0979	0.357	11	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:2:	3:4:2:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CC)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a]){1|N<3>,3|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CC)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	108.6587	0.189	4	108.6587	0.036	4	108.7128	0.041	5	109.0979	0.357	11	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:2:	3:4:2:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a]){1|N<3>,3|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	108.9290	0.000	1	108.9290	0.000	1	108.7128	0.041	5	109.0979	0.357	11	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:3:	N[5a,6]-3:C[3,6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	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](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H)	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[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>}	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	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>}	112.4130	0.000	1	112.4130	0.000	1	112.4130	0.000	1	112.6377	0.160	9	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	112.6377	0.160	9	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]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]N[5a]O)	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>}	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>}	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>}	112.6840	0.000	1	112.6840	0.000	1	112.4748	0.038	5	112.6377	0.160	9	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	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>}	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>}	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>}	112.1980	0.000	1	112.1980	0.000	1	112.4748	0.038	5	112.6377	0.160	9	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]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]N[5a]O)	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>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	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>}	112.6180	0.000	1	112.6180	0.000	1	112.4748	0.038	5	112.6377	0.160	9	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	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>}	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>}	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>}	112.4370	0.079	2	112.4370	0.006	2	112.4748	0.038	5	112.6377	0.160	9	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	113.2870	0.198	2	113.2870	0.039	2	113.2870	0.039	2	112.6377	0.160	9	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:4:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){3|C<3>,4|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	112.3770	0.000	1	112.3770	0.000	1	111.4686	0.741	5	111.4686	0.741	5	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:4:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a]){2|C<4>,2|F<1>,3|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	110.1400	0.000	1	110.1400	0.000	1	111.4686	0.741	5	111.4686	0.741	5	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:4:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,6|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>}	111.2050	0.000	1	111.2050	0.000	1	111.4686	0.741	5	111.4686	0.741	5	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:3:4:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.8105	0.267	2	111.8105	0.071	2	111.4686	0.741	5	111.4686	0.741	5	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	3:4:2:	3:3:	3:4:3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	111.5670	0.000	1	111.5670	0.000	1	111.5670	0.000	1	111.5670	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	4:3:2:	3:2:	3:4:2:	C[6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6]N[5,6]C[6a]H)(N[5a,6]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]N[5a])	C[5a,6](C[6]N[5,6]C[6a]H)(N[5a,6]N[5a]C[6])(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.9250	0.000	1	108.9250	0.000	1	108.9250	0.000	1	108.9250	0.000	1	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	4:3:2:	3:3:	3:3:2:	C[3,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[3,6]N[5a])(C[5a]C[5a]Br)(N[6]C[6])	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<4>}	N[5a,6](C[5a,6]C[3,6]N[5a])(C[5a]C[5a]Br)(N[6]C[6]){1|Cl<1>,2|C<4>,2|H<1>}	111.8075	0.062	2	111.8075	0.004	2	111.8075	0.004	2	111.8075	0.004	2	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	4:3:2:	3:3:	3:3:3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	112.1717	0.041	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	4:3:2:	3:3:	3:3:3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	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](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)	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[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>}	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	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>}	112.0550	0.028	2	112.0550	0.001	2	112.0550	0.001	2	112.1717	0.041	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	4:3:2:	3:3:	3:3:4:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C[6a])	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,3|C<4>,5|H<1>}	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C[6a]){3|C<3>,4|C<4>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	111.5815	0.168	2	111.5815	0.028	2	111.4247	0.088	3	111.4247	0.088	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6]	N[5a]	N[5a,6]	4:3:2:	3:3:	3:3:4:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF)	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|F<1>,3|H<1>}	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<4>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	111.1110	0.000	1	111.1110	0.000	1	111.4247	0.088	3	111.4247	0.088	3	112.0369	4.455	235	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	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[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>}	N[5a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<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){1|C<4>,3|C<3>,3|H<1>}	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:2:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a]){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){2|C<3>}	107.4797	0.142	3	107.4797	0.020	3	107.4797	0.020	3	107.4797	0.020	3	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|C<4>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|C<4>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>}	110.5100	0.000	1	110.5100	0.000	1	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Cl)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|Cl<1>,1|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|Cl<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Cl)(N[6a]C[6a]){1|N<2>,1|N<3>}	110.7730	0.000	1	110.7730	0.000	1	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>}	107.0680	0.000	1	110.2366	1.153	11	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	110.5442	0.280	6	110.2366	1.153	11	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<1>}	110.8130	0.000	1	110.2366	1.153	11	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	110.5530	0.000	1	110.2366	1.153	11	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){2|N<2>}	110.4520	0.085	2	110.2366	1.153	11	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){3|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	110.1650	0.000	1	110.3997	0.082	10	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){3|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	110.4043	0.190	3	110.3997	0.082	10	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){3|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|N<2>}	110.5453	0.234	3	110.3997	0.082	10	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	109.8690	0.000	1	110.3997	0.082	10	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|O<1>}	110.7900	0.000	1	110.3997	0.082	10	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|N<2>}	110.3240	0.000	1	110.3997	0.082	10	110.3427	0.575	23	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a]){2|C<3>}	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>}	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	110.2500	0.756	24	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	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>}	108.8190	0.000	1	108.8190	0.000	1	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	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>}	109.3180	0.252	2	109.3180	0.063	2	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	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>}	109.2970	0.000	1	109.2970	0.000	1	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){2|C<3>}	109.1560	0.000	1	109.1560	0.000	1	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){2|C<3>}	108.8710	0.474	2	108.8710	0.224	2	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	109.2400	0.000	1	109.4007	0.024	3	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	109.4810	0.093	2	109.4007	0.024	3	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	109.2520	0.000	1	109.0935	0.168	20	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	109.0377	0.441	16	109.0935	0.168	20	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	109.3370	0.153	2	109.0935	0.168	20	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	109.3410	0.000	1	109.0935	0.168	20	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	109.3220	0.000	1	109.3297	0.004	3	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	109.2710	0.000	1	109.3297	0.004	3	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	109.3960	0.000	1	109.3297	0.004	3	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	108.2140	0.291	2	108.2140	0.085	2	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	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>}	110.9910	0.000	1	110.9910	0.000	1	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	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>}	109.1403	0.097	3	109.1403	0.009	3	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,3|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	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>}	107.7890	0.000	1	107.7890	0.000	1	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O){2|C<3>}	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>}	109.1195	0.286	2	109.1195	0.082	2	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|S<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	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>}	109.0200	0.000	1	109.0200	0.000	1	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	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>}	109.6055	1.015	2	109.4793	0.563	3	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	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>}	109.2270	0.000	1	109.4793	0.563	3	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	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>}	109.5200	0.000	1	109.5200	0.000	1	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	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>}	109.1040	0.246	2	109.1040	0.061	2	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,2|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	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>}	109.1570	0.000	1	109.1570	0.000	1	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){2|N<3>}	110.3220	0.000	1	110.3220	0.000	1	109.1616	0.289	51	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	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>}	109.9980	0.000	1	109.9980	0.000	1	109.6848	0.098	5	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>}	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>}	109.4380	0.327	2	109.4380	0.107	2	109.6848	0.098	5	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	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>}	109.7750	0.222	2	109.7750	0.049	2	109.6848	0.098	5	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H){1|N<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<1>}	112.0575	0.153	2	112.0575	0.024	2	112.0575	0.024	2	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|O<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]C[6a]N[5a]){4|C<3>}	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>}	110.5850	0.000	1	110.5850	0.000	1	110.7757	0.029	3	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]C){2|C<3>}	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>}	110.9090	0.000	1	110.9090	0.000	1	110.7757	0.029	3	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]H){2|C<3>}	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>}	110.8330	0.000	1	110.8330	0.000	1	110.7757	0.029	3	109.3789	0.633	61	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[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)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<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){1|C<4>,1|H<1>,3|C<3>}	113.0570	0.000	1	113.0570	0.000	1	112.9403	0.062	3	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	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>}	113.1100	0.000	1	112.8820	0.104	2	112.9403	0.062	3	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a]){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	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>}	112.6540	0.000	1	112.8820	0.104	2	112.9403	0.062	3	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[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])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<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]){2|H<1>,5|C<3>}	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){3|C<3>}	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>}	111.1580	0.000	1	111.1580	0.000	1	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	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>}	111.4275	0.334	2	111.4275	0.112	2	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	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>}	110.7207	0.261	3	110.7207	0.068	3	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){5|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>}	111.3925	0.139	2	111.3925	0.019	2	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){2|C<3>}	111.2747	0.367	3	111.3330	0.104	4	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){2|C<3>}	111.5080	0.000	1	111.3330	0.104	4	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|N<2>,4|C<3>}	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>}	111.1820	0.000	1	111.2715	0.016	2	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	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>}	111.3610	0.000	1	111.2715	0.016	2	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H){3|C<3>}	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>}	110.1320	0.000	1	110.1320	0.000	1	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H){3|C<3>}	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>}	111.1160	0.000	1	111.1160	0.000	1	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	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>}	110.9625	0.131	2	110.9625	0.017	2	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N){3|C<3>}	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>}	111.3130	0.000	1	111.3130	0.000	1	111.1222	0.151	19	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[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)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[6a]){1|H<1>,4|C<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){1|H<1>,4|C<3>}	114.0490	0.000	1	114.0490	0.000	1	113.5070	0.588	2	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[6a]){1|H<1>,4|C<3>}	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>}	112.9650	0.000	1	112.9650	0.000	1	113.5070	0.588	2	111.6162	0.965	25	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	112.2870	0.520	3	112.2870	0.271	3	112.2870	0.271	3	112.2870	0.271	3	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	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>}	112.7540	0.000	1	112.7540	0.000	1	112.7760	0.001	2	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	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>}	112.7980	0.000	1	112.7980	0.000	1	112.7760	0.001	2	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]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)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6]){1|B<4>,1|H<1>,3|C<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){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	108.9670	2.107	2	108.9670	4.440	2	108.9670	4.440	2	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	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[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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<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){1|N<2>,2|H<1>,5|C<3>}	114.0340	0.000	1	114.0340	0.000	1	113.5170	0.535	2	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	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[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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<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){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	113.0000	0.000	1	113.0000	0.000	1	113.5170	0.535	2	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]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,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	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>}	113.1260	0.000	1	113.1260	0.000	1	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	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>}	114.1200	0.000	1	114.1200	0.000	1	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(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]C){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	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>}	112.4980	0.000	1	112.9875	0.100	6	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(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]C){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|C<4>,4|C<3>}	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>}	113.0854	0.231	5	112.9875	0.100	6	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(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]C){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<4>,4|C<3>}	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>}	111.9380	0.000	1	111.9380	0.000	1	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[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)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<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){2|H<1>,4|C<3>}	112.8780	0.337	3	112.8780	0.114	3	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(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){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	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>}	112.4390	0.000	1	112.3545	0.029	4	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(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){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	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>}	112.3263	0.198	3	112.3545	0.029	4	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,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)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	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>}	112.3950	0.000	1	112.3950	0.000	1	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	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>}	112.2875	0.549	2	112.2875	0.302	2	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(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){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	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>}	112.6600	0.000	1	112.7045	0.004	2	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(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){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	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>}	112.7490	0.000	1	112.7045	0.004	2	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,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)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	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>}	112.7110	0.000	1	112.7110	0.000	1	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	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[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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,4|C<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){1|N<3>,2|H<1>,3|C<3>}	112.5560	0.000	1	112.5560	0.000	1	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	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[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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<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]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	114.3882	0.350	4	114.3882	0.123	4	112.9763	0.582	27	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	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[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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<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]){1|C<2>,1|H<1>,5|C<3>}	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	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[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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<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){1|N<3>,2|H<1>,5|C<3>}	112.6973	0.102	3	112.6973	0.010	3	112.6973	0.010	3	112.7688	1.440	37	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:2:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>}	108.6260	0.000	1	108.2583	0.173	6	108.2583	0.173	6	108.2583	0.173	6	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:2:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|N<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,2|N<3>}	108.1848	0.420	5	108.2583	0.173	6	108.2583	0.173	6	108.2583	0.173	6	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a]){3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a]){2|C<3>}	108.0890	0.086	2	108.0890	0.007	2	107.8506	0.064	5	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a]){3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	107.6917	0.175	3	107.6917	0.030	3	107.8506	0.064	5	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	109.9575	0.429	4	109.9575	0.184	4	109.5753	0.390	7	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	109.2660	0.430	2	109.0657	0.213	3	109.5753	0.390	7	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	108.6650	0.000	1	109.0657	0.213	3	109.5753	0.390	7	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a]){3|C<3>}	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>}	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){5|C<3>}	109.9710	0.000	1	109.9710	0.000	1	108.7798	2.646	18	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	109.8260	0.000	1	109.8260	0.000	1	108.7798	2.646	18	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	109.4930	0.000	1	109.4930	0.000	1	108.7798	2.646	18	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>}	108.5056	1.757	14	108.5831	2.956	15	108.7798	2.646	18	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	109.6670	0.000	1	108.5831	2.956	15	108.7798	2.646	18	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]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])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	107.7120	0.000	1	107.7120	0.000	1	107.9507	0.906	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<2>,2|C<3>}	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>}	109.8370	0.000	1	109.8370	0.000	1	107.9507	0.906	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<2>,2|C<3>}	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>}	108.5210	0.000	1	108.5210	0.000	1	107.9507	0.906	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	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>}	106.6140	0.000	1	106.6140	0.000	1	107.9507	0.906	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	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>}	106.8120	0.000	1	106.8120	0.000	1	107.9507	0.906	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	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>}	107.2950	0.000	1	107.2950	0.000	1	107.9507	0.906	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	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>}	107.6100	0.000	1	107.6100	0.000	1	107.9507	0.906	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	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>}	108.1930	0.000	1	108.1930	0.000	1	107.9507	0.906	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|O<2>,2|C<3>}	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>}	108.4565	0.121	2	108.4565	0.015	2	107.9507	0.906	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]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])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	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>}	107.2670	0.000	1	107.2670	0.000	1	108.3354	0.290	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]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])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){5|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	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>}	108.2890	0.000	1	108.2890	0.000	1	108.3354	0.290	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]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])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<2>,2|C<3>}	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>}	109.0190	0.252	2	108.6246	0.228	5	108.3354	0.290	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]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])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	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>}	108.5955	0.011	2	108.6246	0.228	5	108.3354	0.290	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]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])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	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>}	107.8940	0.000	1	108.6246	0.228	5	108.3354	0.290	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]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])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	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>}	108.4660	0.000	1	108.2250	0.052	3	108.3354	0.290	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]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])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	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>}	108.1045	0.132	2	108.2250	0.052	3	108.3354	0.290	10	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	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>}	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	108.5480	1.463	53	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	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](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[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])	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	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>}	111.6910	0.000	1	111.6910	0.000	1	111.6535	0.003	2	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	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](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[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])	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	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>}	111.6160	0.000	1	111.6160	0.000	1	111.6535	0.003	2	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(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]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){4|C<3>}	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>}	110.1500	0.000	1	110.4490	0.179	2	110.4390	0.060	4	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(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]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){4|C<3>}	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>}	110.7480	0.000	1	110.4490	0.179	2	110.4390	0.060	4	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(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]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){4|C<3>}	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>}	110.4290	0.007	2	110.4290	0.000	2	110.4390	0.060	4	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	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](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[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])	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){4|C<3>}	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>}	111.1470	0.000	1	111.1470	0.000	1	111.1470	0.000	1	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	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>}	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){3|N<2>,4|C<3>}	109.3710	0.226	2	109.3710	0.051	2	109.3710	0.051	2	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	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>}	110.2490	0.000	1	110.5083	0.115	4	110.2583	0.219	8	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	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>}	110.9690	0.000	1	110.5083	0.115	4	110.2583	0.219	8	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	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>}	110.2550	0.000	1	110.5083	0.115	4	110.2583	0.219	8	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	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>}	110.5600	0.000	1	110.5083	0.115	4	110.2583	0.219	8	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	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>}	110.5380	0.000	1	110.5380	0.000	1	110.2583	0.219	8	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	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>}	109.9775	0.429	2	109.9775	0.184	2	110.2583	0.219	8	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	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>}	109.5400	0.000	1	109.5400	0.000	1	110.2583	0.219	8	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	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>}	110.5685	0.066	2	110.5685	0.004	2	110.5685	0.004	2	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	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>}	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[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]N[5a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	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>}	110.7480	0.131	3	110.7480	0.017	3	111.1737	0.163	9	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[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]N[5a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	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>}	111.4810	0.000	1	111.4810	0.000	1	111.1737	0.163	9	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[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]N[5a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	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>}	111.7040	0.000	1	111.7040	0.000	1	111.1737	0.163	9	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[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])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<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]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	111.2835	0.316	4	111.2835	0.100	4	111.1737	0.163	9	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]N[5a]){1|N<3>,2|C<3>,3|N<2>}	N[5a](C[5a,6a]N[5a,6a]2)(N[5a]C[5a]){4|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	112.5557	0.922	3	112.5557	0.851	3	112.5557	0.851	3	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	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>}	112.6770	0.000	1	112.6770	0.000	1	112.6770	0.000	1	110.8392	0.860	35	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	109.9170	0.000	1	109.9170	0.000	1	109.9170	0.000	1	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	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](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){3|C<3>}	109.2680	0.000	1	109.2680	0.000	1	109.5386	0.061	5	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]N[5a]){1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	109.4830	0.190	2	109.4830	0.036	2	109.5386	0.061	5	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	109.5600	0.000	1	109.5600	0.000	1	109.5386	0.061	5	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C){3|C<3>}	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>}	109.8990	0.000	1	109.8990	0.000	1	109.5386	0.061	5	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-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](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	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>}	109.9860	0.000	1	109.9860	0.000	1	109.9860	0.000	1	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	110.7810	0.000	1	110.8655	0.014	2	111.0204	0.102	5	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	110.9500	0.000	1	110.8655	0.014	2	111.0204	0.102	5	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>}	110.8690	0.000	1	110.8690	0.000	1	111.0204	0.102	5	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	110.9210	0.000	1	110.9210	0.000	1	111.0204	0.102	5	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|S<2>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	111.5810	0.000	1	111.5810	0.000	1	111.0204	0.102	5	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H){3|C<3>}	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>}	109.5340	0.055	2	109.5340	0.003	2	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	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>}	109.7815	0.346	2	109.7815	0.120	2	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<2>,2|C<3>}	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>}	109.5433	0.456	4	109.5433	0.207	4	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	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>}	108.9700	0.000	1	108.9700	0.000	1	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N){1|C<2>,2|C<3>}	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>}	109.7185	0.309	2	109.7185	0.095	2	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	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>}	109.3860	0.000	1	109.0210	0.266	2	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	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>}	108.6560	0.000	1	109.0210	0.266	2	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Br){1|H<1>,2|C<3>}	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>}	110.3125	0.829	4	110.3125	0.687	4	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl){1|H<1>,2|C<3>}	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>}	109.7710	0.406	4	109.7710	0.165	4	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]I)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]I){1|H<1>,2|C<3>}	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>}	108.8970	0.000	1	108.8970	0.000	1	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N){1|O<2>,2|C<3>}	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>}	110.5550	0.361	2	110.5550	0.130	2	109.7331	0.392	24	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	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](C[5a,6a]N[5a,6a]2)(C[5a]N[5a]O)	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]N[5a]O){3|C<3>}	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>}	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	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>}	111.2730	0.000	1	111.2730	0.000	1	111.3233	0.045	8	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	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>}	111.4820	0.000	1	111.4820	0.000	1	111.3233	0.045	8	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	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>}	111.1763	0.232	3	111.1763	0.054	3	111.3233	0.045	8	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	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>}	111.4280	0.000	1	111.4280	0.000	1	111.3233	0.045	8	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	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>}	111.4370	0.277	2	111.4370	0.077	2	111.3233	0.045	8	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	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>}	111.9240	0.000	1	111.9240	0.000	1	111.5023	0.169	3	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	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>}	111.1020	0.000	1	111.2915	0.072	2	111.5023	0.169	3	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	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>}	111.4810	0.000	1	111.2915	0.072	2	111.5023	0.169	3	110.2916	0.890	48	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<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){1|N<3>,2|H<1>,3|C<3>}	112.2020	0.724	2	112.2020	0.524	2	112.2020	0.524	2	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	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>}	110.7225	0.244	2	110.7225	0.060	2	111.5146	0.429	7	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|N<2>,3|C<3>}	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>}	111.7855	0.374	2	111.7855	0.140	2	111.5146	0.429	7	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	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>}	112.4400	0.000	1	112.4400	0.000	1	111.5146	0.429	7	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	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>}	111.5730	0.335	2	111.5730	0.112	2	111.5146	0.429	7	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]O[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]O[6]){1|C<4>,4|C<3>}	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>}	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[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)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<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){8|C<3>}	113.1735	0.387	2	113.1735	0.150	2	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[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)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<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){6|C<3>}	112.7920	0.000	1	112.7920	0.000	1	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){1|C<4>,1|H<1>,6|C<3>}	113.4810	0.000	1	113.3185	0.033	4	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){1|H<1>,1|I<1>,6|C<3>}	113.4670	0.000	1	113.3185	0.033	4	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){1|H<1>,7|C<3>}	113.1630	0.059	2	113.3185	0.033	4	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){2|H<1>,4|C<3>}	113.2960	0.235	2	113.2960	0.055	2	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){2|H<1>,4|C<3>}	112.7010	0.000	1	112.2683	0.586	6	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){1|C<4>,1|H<1>,4|C<3>}	111.2900	0.115	2	112.2683	0.586	6	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){2|H<1>,4|C<3>}	112.7763	0.141	3	112.2683	0.586	6	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){1|H<1>,4|C<3>}	112.4120	0.000	1	112.4120	0.000	1	112.8142	0.462	16	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	111.4170	0.000	1	111.4170	0.000	1	111.4989	0.381	8	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	111.3290	0.000	1	111.3290	0.000	1	111.4989	0.381	8	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	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>}	112.3995	0.412	2	112.3995	0.170	2	111.4989	0.381	8	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	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>}	111.2000	0.368	2	111.2000	0.135	2	111.4989	0.381	8	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	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>}	110.8290	0.000	1	110.8290	0.000	1	111.4989	0.381	8	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){1|S<2>,5|C<3>}	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>}	111.2170	0.000	1	111.2170	0.000	1	111.4989	0.381	8	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	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](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){2|H<1>,6|C<3>}	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-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])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,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])	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,2|N<2>,3|C<3>}	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>}	113.6470	0.000	1	113.6470	0.000	1	113.6470	0.000	1	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	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](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|F<1>,5|C<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){1|F<1>,5|C<3>}	113.5090	0.000	1	113.8282	0.396	4	113.8282	0.396	4	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	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](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<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){1|H<1>,5|C<3>}	113.9347	0.725	3	113.8282	0.396	4	113.8282	0.396	4	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	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](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[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)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<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){1|H<1>,5|C<3>}	112.6810	0.197	2	112.6810	0.039	2	112.6810	0.039	2	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){6|C<3>}	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>}	111.0390	0.034	2	111.0390	0.001	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	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>}	109.7320	0.000	1	110.0180	0.164	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){4|C<3>}	110.3040	0.000	1	110.0180	0.164	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	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>}	110.9170	0.000	1	110.9170	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|H<1>,2|C<3>}	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>}	111.0910	0.000	1	111.0910	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|C<4>,4|C<3>}	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>}	110.9450	0.000	1	110.9847	0.007	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	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>}	111.0045	0.107	2	110.9847	0.007	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	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>}	110.7195	0.081	2	110.7195	0.007	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|I<1>,4|C<3>}	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>}	111.1270	0.479	2	111.1270	0.230	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	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>}	111.7260	0.000	1	111.7260	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	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>}	110.9715	0.347	2	110.9715	0.121	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	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>}	111.1130	0.000	1	111.1130	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	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>}	111.5310	0.000	1	111.5310	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	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>}	110.6140	0.000	1	111.2273	0.282	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,4|C<3>}	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>}	111.5340	0.000	2	111.2273	0.282	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	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>}	111.2115	0.076	2	111.2115	0.006	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	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>}	110.5490	0.000	1	111.0300	0.132	5	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	111.1077	0.329	3	111.0300	0.132	5	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	111.2780	0.000	1	111.0300	0.132	5	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	110.9854	0.379	5	110.9854	0.143	5	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	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>}	110.5660	0.000	1	110.8535	0.165	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	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>}	111.1410	0.000	1	110.8535	0.165	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	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>}	111.2930	0.000	1	110.9510	0.137	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	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>}	110.5590	0.000	1	110.9510	0.137	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	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>}	111.0010	0.000	1	110.9510	0.137	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	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>}	111.1110	0.000	1	111.0290	0.013	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	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>}	110.9470	0.000	1	111.0290	0.013	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	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>}	111.2140	0.221	3	111.3287	0.122	11	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	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>}	110.9290	0.000	1	111.3287	0.122	11	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	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>}	111.6730	0.000	1	111.3287	0.122	11	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	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>}	111.1320	0.000	1	111.3287	0.122	11	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	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>}	111.4480	0.418	5	111.3287	0.122	11	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	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>}	111.4120	0.199	2	111.4120	0.040	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	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>}	111.0420	0.424	3	111.0420	0.180	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	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>}	110.9320	0.000	1	110.9320	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	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>}	111.3710	0.000	1	111.3710	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	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>}	110.7160	0.000	1	110.5315	0.172	21	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	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>}	110.5415	0.685	2	110.5315	0.172	21	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	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>}	110.1317	0.129	3	110.5315	0.172	21	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	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>}	110.3190	0.000	1	110.5315	0.172	21	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	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>}	110.7370	0.192	2	110.5315	0.172	21	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	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>}	110.2802	0.292	4	110.5315	0.172	21	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	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>}	110.7566	0.438	8	110.5315	0.172	21	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	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>}	111.4740	0.000	1	111.4740	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	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>}	109.8850	0.000	1	111.1259	0.281	14	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	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>}	111.4435	0.404	4	111.1259	0.281	14	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	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>}	111.1227	0.391	9	111.1259	0.281	14	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	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>}	111.1740	0.000	1	111.0710	0.021	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	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>}	110.9680	0.000	1	111.0710	0.021	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	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>}	111.5040	0.000	1	111.5040	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	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>}	110.7410	0.000	1	111.1928	0.201	13	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	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>}	111.2497	0.142	3	111.1928	0.201	13	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	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>}	111.4400	0.000	1	111.1928	0.201	13	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	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>}	111.0035	0.475	6	111.1928	0.201	13	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	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>}	111.7780	0.272	2	111.1928	0.201	13	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	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>}	111.3625	0.334	6	111.3625	0.112	6	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Cl)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Cl){1|H<1>,1|P<4>,2|C<3>}	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>}	111.7830	0.000	1	111.7830	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	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>}	110.7220	0.000	1	110.9143	0.081	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	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>}	111.2420	0.000	1	110.9143	0.081	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	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>}	110.7790	0.000	1	110.9143	0.081	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	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>}	111.1490	0.265	3	111.1490	0.070	3	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	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>}	108.9815	1.300	2	108.9815	1.691	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	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>}	110.6950	0.000	1	110.6950	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I){1|H<1>,3|C<3>}	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>}	111.2915	0.724	4	111.2915	0.524	4	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	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>}	111.5010	0.000	1	111.5010	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<4>,2|C<3>}	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>}	111.2090	0.000	1	111.2090	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Se)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Se){1|H<1>,3|C<3>}	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>}	111.0780	0.000	1	111.0780	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	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>}	112.0235	0.422	2	112.0235	0.178	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	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>}	111.5840	0.013	2	111.5840	0.000	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	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>}	110.4855	0.428	2	110.4855	0.183	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|O<2>,3|C<3>}	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>}	112.6350	0.000	1	112.6350	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	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>}	111.1530	0.000	1	111.1530	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	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>}	111.3870	0.231	2	111.3870	0.053	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	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>}	110.2230	0.000	1	110.2230	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	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>}	111.3305	0.230	2	111.3305	0.053	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	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>}	110.3330	1.083	2	110.3330	1.174	2	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	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>}	111.6170	0.000	1	111.6170	0.000	1	111.0334	0.331	149	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	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>}	111.4000	0.000	1	111.4000	0.000	1	111.4000	0.000	1	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[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)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>}	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>}	111.7580	0.000	1	111.7580	0.000	1	111.4113	0.240	10	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	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>}	111.7800	0.301	4	111.7800	0.090	4	111.4113	0.240	10	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	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>}	110.8805	0.058	4	110.8805	0.003	4	111.4113	0.240	10	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	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>}	111.7130	0.000	1	111.7130	0.000	1	111.4113	0.240	10	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[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:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	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>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	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>}	111.7487	0.381	3	111.7487	0.145	3	111.7487	0.145	3	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	113.7577	0.305	12	113.7577	0.093	12	113.7577	0.093	12	111.4762	1.030	217	110.7550	2.446	512	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5,5a]	3:2:1:	3:3:	3:4:3:	N[5,5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	110.6343	0.783	3	110.6343	0.613	3	110.7973	0.186	10	110.7973	0.186	10	110.3753	0.605	15	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5,5a]	3:2:1:	3:3:	3:4:3:	N[5,5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	111.0400	0.000	1	111.0400	0.000	1	110.7973	0.186	10	110.7973	0.186	10	110.3753	0.605	15	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5,5a]	3:2:1:	3:3:	3:4:3:	N[5,5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	110.8383	0.244	6	110.8383	0.059	6	110.7973	0.186	10	110.7973	0.186	10	110.3753	0.605	15	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5,5a]	3:3:2:	3:2:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]){1|S<2>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	110.3753	0.605	15	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:3:2:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]C[6a]N[5a])(N[5]C[5])	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H){1|C<3>,1|N<3>,2|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]C[6a]N[5a])(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	110.3753	0.605	15	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|S<2>,5|C<3>}	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	110.3753	0.605	15	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:4:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,8|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|C<4>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	110.4560	0.000	1	110.4560	0.000	1	110.0470	0.335	2	110.0470	0.335	2	110.3753	0.605	15	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5,5a]	3:3:2:	3:3:	3:4:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,7|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|C<4>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	109.6380	0.000	1	109.6380	0.000	1	110.0470	0.335	2	110.0470	0.335	2	110.3753	0.605	15	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:2:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(SC){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>}	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:3:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a]){1|N<2>,1|N<3>}	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){2|N<3>}	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:3:	3:3:	3:3:2:	N[5a,5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a]H)	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a]H){2|N<2>}	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|H<1>,1|N<3>}	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:3:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:C-3:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]N[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]N[5a])(COO){1|N<2>,3|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C){1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]N[5a]C){1|H<1>,3|C<3>}	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:4:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	107.5370	0.000	1	108.0000	0.165	3	108.1133	0.312	7	108.1133	0.312	7	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:4:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	108.2315	0.097	2	108.0000	0.165	3	108.1133	0.312	7	108.1133	0.312	7	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:4:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH)	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	108.3520	0.000	1	108.3520	0.000	1	108.1133	0.312	7	108.1133	0.312	7	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:4:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	107.1870	0.000	1	107.8200	0.801	2	108.1133	0.312	7	108.1133	0.312	7	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:4:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	108.4530	0.000	1	107.8200	0.801	2	108.1133	0.312	7	108.1133	0.312	7	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:2:4:	3:2:	3:3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CHHO){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	108.8010	0.000	1	108.8010	0.000	1	108.1133	0.312	7	108.1133	0.312	7	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[5a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|N<2>}	N[5a](C[5a]N[5a,5a]C[5a])(N[5a]C[5a,5a]){1|C<3>,1|N<2>,2|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	107.9366	0.082	14	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	107.6600	0.000	1	107.8906	0.056	13	107.8906	0.056	13	107.9366	0.082	14	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	107.8880	0.379	2	107.8906	0.056	13	107.8906	0.056	13	107.9366	0.082	14	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	108.1560	0.000	1	107.8906	0.056	13	107.8906	0.056	13	107.9366	0.082	14	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	108.1950	0.000	1	107.8906	0.056	13	107.8906	0.056	13	107.9366	0.082	14	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	107.7880	0.000	1	107.8906	0.056	13	107.8906	0.056	13	107.9366	0.082	14	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	107.8576	0.223	7	107.8906	0.056	13	107.8906	0.056	13	107.9366	0.082	14	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	108.8110	0.000	1	109.0490	0.085	5	109.0490	0.085	5	109.0490	0.085	5	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]){1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	109.1085	0.300	4	109.0490	0.085	5	109.0490	0.085	5	109.0490	0.085	5	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){2|C<3>,2|N<2>}	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	108.3143	0.025	3	108.3143	0.001	3	108.4810	0.112	4	108.4810	0.112	4	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){1|C<3>,3|N<2>}	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	108.9810	0.000	1	108.9810	0.000	1	108.4810	0.112	4	108.4810	0.112	4	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,5a]	3:4:2:	3:2:	3:3:3:	N[5a,5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a])	N[5a](C[5a]N[5a,5a]C[3])(N[5a]C[5a,5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|S<2>,2|C<3>,4|H<1>}	N[5a](C[5a]N[5a,5a]C[3])(N[5a]C[5a,5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3]){2|C<3>,2|C<4>,2|H<1>}	108.4845	0.050	2	108.4845	0.003	2	108.4845	0.003	2	108.4845	0.003	2	108.3589	0.487	36	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<4>,3|H<1>}	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	111.7545	0.464	6	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H){2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H){2|H<1>,4|C<3>}	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	111.7545	0.464	6	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<3>,1|C<4>}	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>}	111.5050	0.000	1	111.5050	0.000	1	112.1367	0.188	4	111.7545	0.464	6	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|S<2>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<3>,1|S<2>}	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>}	112.3800	0.000	1	112.3800	0.000	1	112.1367	0.188	4	111.7545	0.464	6	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[5a])(C[5a]N[5a,6]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)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a,6]C[5a])(C[5a]N[5a,6]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	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>}	112.3310	0.174	2	112.3310	0.030	2	112.1367	0.188	4	111.7545	0.464	6	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]N[5a,6]H)	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]N[5a,6]H){1|C<4>,1|N<2>,2|N<3>}	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH){1|H<1>,3|C<3>}	113.2990	0.000	1	113.2990	0.000	1	113.2990	0.000	1	113.2965	0.000	2	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO)	C[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO){1|H<1>,3|C<3>}	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	113.2965	0.000	2	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:4:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]B[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]N[5a,6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6,6a]B[6])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]N[5a,6]H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H){2|N<2>,2|N<3>}	116.2440	0.000	1	116.2440	0.000	1	116.2440	0.000	1	112.3558	4.994	5	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:4:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|D<1>,1|H<1>,1|O<2>,3|C<3>}	111.6670	0.000	1	111.6670	0.000	1	111.3838	0.359	4	112.3558	4.994	5	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:4:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	111.0130	0.716	2	111.2893	0.485	3	111.3838	0.359	4	112.3558	4.994	5	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	3:4:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	111.8420	0.000	1	111.2893	0.485	3	111.3838	0.359	4	112.3558	4.994	5	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	4:3:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<4>,1|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.4795	0.185	6	112.2845	0.077	26	112.2845	0.077	26	112.2845	0.077	26	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	4:3:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<4>,1|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	112.0842	0.391	4	112.2845	0.077	26	112.2845	0.077	26	112.2845	0.077	26	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	4:3:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<4>,1|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	112.2341	0.279	12	112.2845	0.077	26	112.2845	0.077	26	112.2845	0.077	26	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:1:	3:3:	4:3:3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<4>,1|N<2>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	112.3435	0.050	4	112.2845	0.077	26	112.2845	0.077	26	112.2845	0.077	26	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(NC[6a])	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N)	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>}	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]C){1|C<3>,1|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){1|C<4>,1|H<1>,3|C<3>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:3:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]){2|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6]){2|N<3>}	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])	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[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>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|H<1>,5|C<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]){1|C<4>,1|H<1>,6|C<3>}	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	111.6995	2.858	2	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])(NIrC)	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]Ir)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])(NIrC){3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N){1|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]Ir){2|C<3>,2|C<4>}	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	111.6995	2.858	2	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	109.2666	0.274	9	109.2666	0.075	9	109.3624	0.373	20	109.3624	0.373	20	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHO)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHO){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	109.2610	0.000	1	109.2610	0.000	1	109.3624	0.373	20	109.3624	0.373	20	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	109.2230	0.000	1	109.2230	0.000	1	109.3624	0.373	20	109.3624	0.373	20	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|C<4>,1|N<2>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.9000	0.000	1	109.9000	0.000	1	109.3624	0.373	20	109.3624	0.373	20	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	108.3415	1.627	2	108.3415	2.647	2	109.3624	0.373	20	109.3624	0.373	20	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHN){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	109.5830	0.000	1	109.5830	0.000	1	109.3624	0.373	20	109.3624	0.373	20	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	109.7297	0.182	3	109.7850	0.034	4	109.3624	0.373	20	109.3624	0.373	20	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){2|C<3>}	109.9510	0.000	1	109.7850	0.034	4	109.3624	0.373	20	109.3624	0.373	20	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CN[5a]HH){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	110.0590	0.000	1	110.0590	0.000	1	109.3624	0.373	20	109.3624	0.373	20	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:3:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3){1|C<3>,2|C<4>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.5915	0.057	2	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:2:	3:3:3:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CH3){3|C<3>}	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){2|C<3>}	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>}	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.5915	0.057	2	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C){2|C<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H){2|C<3>,2|H<1>}	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:2:4:	3:3:	3:3:4:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]N)(C[5a]N[5a,6]C)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6]N)(C[5a]N[5a,6]C){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:3:2:	3:2:	3:3:2:	N[5a,6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]C[5a]O[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]C[5a]O[5a])(N[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6]){1|C<3>,1|N<2>,1|O<2>,1|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>}	109.6005	0.021	2	109.6005	0.000	2	109.7497	0.067	3	109.0898	0.212	15	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:3:2:	3:2:	3:3:2:	N[5a,6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]N[5a]S[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]N[5a]S[5a])(N[5a]N[5a]){1|S<2>,3|C<3>}	N[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6]){2|N<2>,2|S<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	110.0480	0.000	1	110.0480	0.000	1	109.7497	0.067	3	109.0898	0.212	15	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:3:2:	3:2:	3:3:2:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|N<2>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	109.5340	0.000	1	108.9248	0.109	12	108.9248	0.109	12	109.0898	0.212	15	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:3:2:	3:2:	3:3:2:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|N<2>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	108.9030	0.274	10	108.9248	0.109	12	108.9248	0.109	12	109.0898	0.212	15	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:3:2:	3:2:	3:3:2:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|N<2>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){4|C<3>}	108.5340	0.000	1	108.9248	0.109	12	108.9248	0.109	12	109.0898	0.212	15	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:3:2:	3:2:	3:3:4:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,3|C<3>,4|H<1>}	N[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH){4|C<3>}	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a]){1|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	110.7943	2.694	85	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Cl)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(Cl){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Cl)(N[6a]C[6a]){1|N<2>,1|N<3>}	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	109.8382	1.803	27	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>}	110.5963	1.355	14	110.5626	1.722	15	109.8440	1.874	26	109.8382	1.803	27	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	110.0910	0.000	1	110.5626	1.722	15	109.8440	1.874	26	109.8382	1.803	27	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>}	107.3570	0.000	1	108.8640	0.444	11	109.8440	1.874	26	109.8382	1.803	27	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	109.1525	0.465	6	108.8640	0.444	11	109.8440	1.874	26	109.8382	1.803	27	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<1>}	109.2610	0.000	1	108.8640	0.444	11	109.8440	1.874	26	109.8382	1.803	27	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	108.2640	0.000	1	108.8640	0.444	11	109.8440	1.874	26	109.8382	1.803	27	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){2|N<2>}	108.8535	0.267	2	108.8640	0.444	11	109.8440	1.874	26	109.8382	1.803	27	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	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>}	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	110.2103	0.243	3	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	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>}	110.6800	0.000	1	110.6800	0.000	1	110.1885	0.483	2	110.2103	0.243	3	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|Cl<1>,2|C<3>}	N[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	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>}	109.6970	0.000	1	109.6970	0.000	1	110.1885	0.483	2	110.2103	0.243	3	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<2>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H){1|C<3>,1|N<2>}	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>}	112.0070	0.000	1	112.0070	0.000	1	111.1599	0.237	14	111.1045	0.269	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	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>}	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H){1|C<3>,1|N<2>}	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>}	111.0453	0.419	12	111.0453	0.176	12	111.1599	0.237	14	111.1045	0.269	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](N[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])(C[5a]N[5a,6a]H){4|C<3>}	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>}	111.6880	0.000	1	111.6880	0.000	1	111.1599	0.237	14	111.1045	0.269	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|O<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H){2|C<3>}	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>}	110.1700	0.000	1	110.1700	0.000	1	110.7165	0.597	2	111.1045	0.269	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:1:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H){2|C<3>}	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>}	111.2630	0.000	1	111.2630	0.000	1	110.7165	0.597	2	111.1045	0.269	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	107.2960	0.000	1	107.8127	0.136	7	107.8127	0.136	7	107.8127	0.136	7	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	108.0183	0.344	3	107.8127	0.136	7	107.8127	0.136	7	107.8127	0.136	7	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:2:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|N<2>}	107.7793	0.302	3	107.8127	0.136	7	107.8127	0.136	7	107.8127	0.136	7	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:3:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCH){2|C<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.3250	0.119	4	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:3:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	108.1960	0.000	1	108.1570	0.009	3	108.1570	0.009	3	108.3250	0.119	4	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:3:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|O<1>}	108.2270	0.000	1	108.1570	0.009	3	108.1570	0.009	3	108.3250	0.119	4	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:3:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NHH){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|N<2>}	108.0480	0.000	1	108.1570	0.009	3	108.1570	0.009	3	108.3250	0.119	4	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	111.2530	0.000	1	111.2530	0.000	1	110.1328	2.010	8	110.1328	2.010	8	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	111.5640	0.000	1	111.5640	0.000	1	110.1328	2.010	8	110.1328	2.010	8	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|C<3>,3|C<4>}	108.3870	1.693	2	108.3870	2.866	2	110.1328	2.010	8	110.1328	2.010	8	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	110.3678	0.727	4	110.3678	0.529	4	110.1328	2.010	8	110.1328	2.010	8	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	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>}	N[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]C){2|C<3>}	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>}	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH){2|C<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	108.8030	0.000	1	108.8030	0.000	1	108.8912	0.610	4	108.8912	0.610	4	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH){2|C<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	108.5810	0.000	1	108.5810	0.000	1	108.8912	0.610	4	108.8912	0.610	4	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>}	109.9980	0.000	1	109.9980	0.000	1	108.8912	0.610	4	108.8912	0.610	4	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	108.1830	0.000	1	108.1830	0.000	1	108.8912	0.610	4	108.8912	0.610	4	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	109.5190	0.450	9	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<3>}	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>}	109.5210	0.000	1	109.5210	0.000	1	109.1573	0.106	3	109.5190	0.450	9	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	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>}	108.9755	0.114	2	108.9755	0.013	2	109.1573	0.106	3	109.5190	0.450	9	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CCHH){3|C<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	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>}	109.8700	0.000	1	109.8700	0.000	1	109.8950	0.415	5	109.5190	0.450	9	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3){3|C<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	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>}	110.9560	0.000	1	110.9560	0.000	1	109.8950	0.415	5	109.5190	0.450	9	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){3|C<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	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>}	109.2110	0.000	1	109.5497	0.087	3	109.8950	0.415	5	109.5190	0.450	9	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){3|C<3>}	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	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>}	109.7190	0.052	2	109.5497	0.087	3	109.8950	0.415	5	109.5190	0.450	9	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Cl)(C[5a]N[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(C[5a]N[5a,6a]C){2|C<3>}	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>}	110.8115	0.189	2	110.8115	0.036	2	110.9867	0.110	3	110.9867	0.110	3	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:2:4:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C){2|C<3>}	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>}	111.3370	0.000	1	111.3370	0.000	1	110.9867	0.110	3	110.9867	0.110	3	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	109.6270	0.000	1	108.5605	0.619	4	108.4312	0.541	6	108.4312	0.541	6	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	108.2050	0.413	3	108.5605	0.619	4	108.4312	0.541	6	108.4312	0.541	6	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	107.6050	0.000	1	108.1725	0.644	2	108.4312	0.541	6	108.4312	0.541	6	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){5|C<3>}	108.7400	0.000	1	108.1725	0.644	2	108.4312	0.541	6	108.4312	0.541	6	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(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]){1|H<1>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a]){1|O<2>,3|C<3>}	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>}	110.1600	0.000	1	110.1600	0.000	1	109.5345	0.783	2	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(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]){1|C<4>,1|N<2>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a]){1|S<2>,3|C<3>}	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>}	108.9090	0.000	1	108.9090	0.000	1	109.5345	0.783	2	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	108.5070	1.204	3	108.5070	1.449	3	108.5070	1.449	3	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	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>}	109.4025	0.547	2	109.4025	0.299	2	109.2651	0.076	7	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	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>}	109.1640	0.000	1	109.1185	0.004	2	109.2651	0.076	7	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	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>}	109.0730	0.000	1	109.1185	0.004	2	109.2651	0.076	7	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	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>}	109.4620	0.000	1	109.4620	0.000	1	109.2651	0.076	7	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	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>}	109.0870	0.000	1	109.1760	0.016	2	109.2651	0.076	7	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	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>}	109.2650	0.000	1	109.1760	0.016	2	109.2651	0.076	7	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	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[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>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	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>}	109.1610	0.000	1	109.1610	0.000	1	109.0203	0.023	3	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	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>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	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>}	108.9500	0.124	2	108.9500	0.015	2	109.0203	0.023	3	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){3|N<2>,4|C<3>}	107.5860	0.109	2	107.5860	0.012	2	107.5860	0.012	2	108.9223	0.618	17	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]C){1|S<2>,3|C<3>}	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>}	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){4|C<3>}	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>}	110.6160	0.154	2	110.6160	0.024	2	110.4833	0.160	13	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[5])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[5]){1|O<2>,6|C<3>}	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>}	109.9640	0.000	1	109.9640	0.000	1	110.4833	0.160	13	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	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>}	111.1970	0.000	1	110.5830	0.197	6	110.4833	0.160	13	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	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>}	110.5938	0.242	4	110.5830	0.197	6	110.4833	0.160	13	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	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>}	109.9260	0.000	1	110.5830	0.197	6	110.4833	0.160	13	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	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>}	109.8570	0.000	1	110.0685	0.089	2	110.4833	0.160	13	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	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>}	110.2800	0.000	1	110.0685	0.089	2	110.4833	0.160	13	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]S)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]S){1|N<2>,3|C<3>}	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>}	110.7260	0.016	2	110.7260	0.000	2	110.4833	0.160	13	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Br)	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[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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Br){4|C<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]){1|Br<1>,2|H<1>,5|C<3>}	110.2060	0.000	1	110.2060	0.000	1	110.5315	0.212	2	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)	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[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>}	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<3>,3|C<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]){2|H<1>,6|C<3>}	110.8570	0.000	1	110.8570	0.000	1	110.5315	0.212	2	110.4527	0.165	16	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:4:2:	3:2:	3:3:3:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a])	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[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>}	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a]){1|H<1>,2|C<3>,2|C<4>}	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>}	109.2660	0.000	1	109.2660	0.000	1	109.1935	0.011	2	109.1698	0.045	5	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:4:2:	3:2:	3:3:3:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a])	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[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>}	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a]){1|H<1>,2|C<3>,2|C<4>}	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>}	109.1210	0.000	1	109.1210	0.000	1	109.1935	0.011	2	109.1698	0.045	5	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a,6a]	3:4:2:	3:2:	3:3:3:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a])	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[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>}	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a]){1|H<1>,2|C<3>,2|C<4>}	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>}	109.1540	0.288	3	109.1540	0.083	3	109.1540	0.083	3	109.1698	0.045	5	109.7037	1.543	126	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	109.2830	0.000	1	109.2830	0.000	1	109.0610	0.068	4	109.0610	0.068	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NHH)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NHH)	108.9870	0.262	3	108.9870	0.069	3	109.0610	0.068	4	109.0610	0.068	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	109.4430	0.222	2	109.4430	0.049	2	109.2174	0.408	36	109.1822	0.817	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	109.9910	0.000	1	109.9910	0.000	1	109.2174	0.408	36	109.1822	0.817	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	109.1208	0.671	28	109.1208	0.450	28	109.2174	0.408	36	109.1822	0.817	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	109.4643	0.573	3	109.4643	0.328	3	109.2174	0.408	36	109.1822	0.817	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	109.5875	0.001	2	109.5875	0.000	2	109.2174	0.408	36	109.1822	0.817	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:Si-4:	C[5a](N[5a]N[5a]Si)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3)	C[5a](N[5a]N[5a]Si)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|Si<4>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3)	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	109.1822	0.817	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:S-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(S)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(S)	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	105.8000	0.000	1	105.8000	0.000	1	105.8000	0.000	1	109.1822	0.817	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	110.6312	1.152	5	110.6312	1.328	5	110.2706	2.801	7	109.8376	3.901	8	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]N[5a]H)2(H)	109.3690	3.036	2	109.3690	9.219	2	110.2706	2.801	7	109.8376	3.901	8	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(O)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])	N[5a](N[5a]N[5a]Sr)(C[5a]N[5a]O)(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(O){1|Sr<9>}	N[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|Sr<9>,1|H<1>}	N[5a](N[5a]N[5a]Sr)(C[5a]N[5a]O)(H)	106.8070	0.000	1	106.8070	0.000	1	106.8070	0.000	1	109.8376	3.901	8	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(N[5a]N[5a])	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(Cl){2|C<3>}	N[5a](C[5a]N[5a]Cl)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	110.9425	0.249	4	110.9425	0.062	4	110.4055	1.457	57	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)2(NC)	110.4184	1.282	47	110.4184	1.643	47	110.4055	1.457	57	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(NC[5])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)2(NC[5])	110.9330	0.148	2	110.9330	0.022	2	110.4055	1.457	57	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(NN)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)2(NN)	109.4535	0.396	4	109.4535	0.157	4	110.4055	1.457	57	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a]){3|C<3>}	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>}	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>}	109.8440	0.000	1	109.4664	0.589	26	109.4664	0.589	26	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>}	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>}	109.7947	0.364	3	109.4664	0.589	26	109.4664	0.589	26	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>}	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>}	109.2863	0.211	3	109.4664	0.589	26	109.4664	0.589	26	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	109.0980	0.000	1	109.4664	0.589	26	109.4664	0.589	26	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	109.9510	0.000	1	109.4664	0.589	26	109.4664	0.589	26	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	109.4112	0.915	17	109.4664	0.589	26	109.4664	0.589	26	110.1027	1.338	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:Br-1:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(Br)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(Br){1|S<2>,2|C<3>}	N[5a](C[5a]N[5a]Br)(N[5a]C[5a]){1|C<3>,1|S<2>}	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>}	111.5738	0.253	4	111.5738	0.064	4	111.5738	0.064	4	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(C[5]N[5]2)	C[5a](N[5a]C[5a]C[5])(N[5a]N[5a])(H){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)2(C[5]N[5]2){2|N<2>}	110.3280	0.233	4	110.3280	0.054	4	110.3280	0.054	4	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2{1|N<2>,1|N<3>,2|C<4>}	110.6820	0.093	2	110.6820	0.009	2	110.7940	0.019	6	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)2	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)2{1|N<2>,3|C<3>}	110.9605	0.043	2	110.9605	0.002	2	110.7940	0.019	6	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2{1|C<3>,1|N<3>}	110.7395	0.005	2	110.7395	0.000	2	110.7940	0.019	6	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	111.3972	0.342	4	111.3972	0.117	4	111.3972	0.117	4	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	111.9360	0.000	1	111.9360	0.000	1	111.3477	0.738	49	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	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>}	110.4370	0.000	1	111.0482	0.233	4	111.3477	0.738	49	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	111.2520	0.317	3	111.0482	0.233	4	111.3477	0.738	49	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	111.6405	0.317	2	111.3758	0.825	42	111.3477	0.738	49	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	111.3626	0.928	40	111.3758	0.825	42	111.3477	0.738	49	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(C[6a]N[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)2(C[6a]N[6a]2){2|C<3>}	111.0630	0.035	2	111.0630	0.001	2	111.3477	0.738	49	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H){1|C<3>,1|N<2>}	109.9520	0.000	1	109.9520	0.000	1	110.1305	0.717	42	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){2|N<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NHH){1|C<3>,1|N<2>}	110.4990	0.000	1	110.4990	0.000	1	110.1305	0.717	42	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){2|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NHH)	109.5155	2.078	4	109.5155	4.319	4	110.1305	0.717	42	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(NCH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)2(NCH)	110.3086	0.356	22	110.3086	0.127	22	110.1305	0.717	42	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)2(NHH)	109.9880	0.992	12	109.9880	0.984	12	110.1305	0.717	42	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(NNiC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)2(NNiC)	110.1610	0.581	2	110.1610	0.338	2	110.1305	0.717	42	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](N[5a]C[5a]N[5])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(N[5]C[5]2)	C[5a](N[5a]C[5a]N[5])(N[5a]N[5a])(H){1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	110.3350	0.289	3	110.3350	0.083	3	110.3350	0.083	3	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	109.7758	0.205	4	109.7893	0.024	7	109.7893	0.024	7	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2){2|C<3>,2|H<1>}	109.8073	0.090	3	109.7893	0.024	7	109.7893	0.024	7	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)2{1|N<2>,2|C<3>}	110.6605	0.261	4	110.6605	0.068	4	110.8791	0.186	33	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)2{1|H<1>,2|C<3>}	110.9092	0.444	29	110.9092	0.197	29	110.8791	0.186	33	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(S){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	103.6160	0.000	1	103.6160	0.000	1	103.6160	0.000	1	110.7296	1.112	153	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|S<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	110.8520	0.000	1	110.8520	0.000	1	110.9852	0.438	13	110.9852	0.438	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)2(CCHH)	110.8730	0.817	8	110.8730	0.668	8	110.9852	0.438	13	110.9852	0.438	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	111.2428	0.255	4	111.2428	0.065	4	110.9852	0.438	13	110.9852	0.438	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:2:	3:4:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[3])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[3])(N[5a]N[5a])(H){1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){4|H<1>}	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)2	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(Cl){1|Cl<1>}	N[5a](C[5a]N[5a]Cl)2{1|H<1>}	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(H){1|Cl<1>}	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	111.1975	0.006	2	110.8512	0.146	5	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.6203	0.303	3	110.8512	0.146	5	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.6215	0.054	2	110.6215	0.003	2	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.9460	0.000	1	110.9460	0.000	1	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.6213	0.554	9	110.6213	0.307	9	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	109.4025	0.448	2	109.3037	0.200	4	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	109.2050	0.601	2	109.3037	0.200	4	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<2>}	112.8960	3.045	2	111.2589	3.392	11	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.8951	1.504	9	111.2589	3.392	11	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	110.2765	0.107	4	110.2765	0.011	4	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>}	109.2993	1.113	3	109.2993	1.238	3	110.5668	1.512	39	110.6425	1.703	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-2:	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|N<3>}	111.0230	0.065	3	111.0230	0.004	3	111.1597	0.176	27	111.0221	0.435	29	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<4>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO){1|S<4>}	110.7590	0.000	1	110.7590	0.000	1	111.1597	0.176	27	111.0221	0.435	29	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	111.1905	0.419	17	111.1905	0.175	17	111.1597	0.176	27	111.0221	0.435	29	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C){1|H<1>}	111.4095	0.306	2	111.4095	0.094	2	111.1597	0.176	27	111.0221	0.435	29	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C){1|H<1>}	111.9690	0.000	1	111.9690	0.000	1	111.1597	0.176	27	111.0221	0.435	29	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O){1|H<1>}	110.6640	0.000	1	110.6640	0.000	1	111.1597	0.176	27	111.0221	0.435	29	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|H<1>}	110.5260	0.000	1	110.5260	0.000	1	111.1597	0.176	27	111.0221	0.435	29	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO){1|H<1>}	111.2670	0.000	1	111.2670	0.000	1	111.1597	0.176	27	111.0221	0.435	29	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<3>}	109.1640	0.429	2	109.1640	0.184	2	109.1640	0.184	2	111.0221	0.435	29	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]N[5a]Br)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(Br){1|H<1>}	N[5a](C[5a]N[5a]Br)(C[5a]N[5a]H){1|C<4>}	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH){1|H<1>}	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|B<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH){1|H<1>}	112.8750	0.000	1	112.8750	0.000	1	112.3920	0.059	6	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|B<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H){1|H<1>}	112.2710	0.059	3	112.2710	0.004	3	112.3920	0.059	6	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|B<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH){1|H<1>}	112.3320	0.041	2	112.3320	0.002	2	112.3920	0.059	6	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	111.2020	0.148	2	111.2020	0.022	2	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	109.9820	0.000	1	109.9820	0.000	1	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH){1|N<3>}	111.3120	0.000	1	111.3120	0.000	1	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	111.5500	0.000	1	111.5500	0.000	1	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN){1|N<3>}	110.6020	0.000	1	110.6020	0.000	1	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH){1|S<2>}	111.6920	0.000	1	111.6920	0.000	1	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|S<2>}	111.3350	0.000	1	111.3350	0.000	1	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	111.0323	0.448	10	111.0323	0.201	10	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	110.9252	0.563	76	110.9252	0.317	76	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	110.8533	0.358	3	110.8533	0.128	3	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	111.5015	0.190	4	111.5015	0.036	4	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	110.2316	1.943	20	110.2316	3.776	20	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	111.2248	0.100	5	111.2248	0.010	5	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	110.6996	0.907	15	110.6996	0.823	15	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	110.9495	0.482	4	110.9495	0.232	4	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS){1|H<1>}	110.3990	0.000	1	110.3990	0.000	1	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH){1|H<1>}	111.3660	0.000	1	111.3660	0.000	1	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH){1|H<1>}	110.8610	0.305	2	110.8610	0.093	2	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	110.2470	0.059	2	110.2470	0.004	2	110.8418	0.834	151	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-4:	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO)	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2{1|S<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO){1|H<1>}	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	110.9033	0.888	159	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:Br-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(Br)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(Br){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Br){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(H){1|O<1>,2|N<3>}	114.9520	0.000	1	114.9520	0.000	1	114.9520	0.000	1	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(Cl){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N){2|H<1>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H){1|N<3>}	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:F-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(F)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]F)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]F)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(F){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]F){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]F)(H){1|C<4>}	115.6300	0.000	1	115.6300	0.000	1	115.6300	0.000	1	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,5a]H)(N[5a]C[5a,5a])(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,5a]H)(N[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	113.3830	0.000	1	113.3830	0.000	1	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	113.5320	0.182	2	113.5673	0.051	4	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	113.8420	0.000	1	113.5673	0.051	4	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	113.3630	0.000	1	113.5673	0.051	4	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	115.3290	0.000	1	113.6623	0.406	35	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	113.0420	0.146	2	113.6623	0.406	35	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	113.6555	0.591	30	113.6623	0.406	35	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	113.3850	0.000	1	113.6623	0.406	35	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a](N[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]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){1|Ru<6>,2|C<3>}	113.7180	0.000	1	113.6623	0.406	35	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,1|N<3>,1|S<1>}	113.8675	0.821	2	113.4480	0.757	23	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	109.8180	0.000	1	113.4480	0.757	23	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](N[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])(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	113.5614	0.308	17	113.4480	0.757	23	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](N[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])(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<3>,2|N<2>}	114.2760	0.000	1	113.4480	0.757	23	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](N[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])(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){3|N<3>}	113.4655	0.206	2	113.4480	0.757	23	113.5736	0.505	63	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){3|C<3>}	114.3582	0.723	5	114.3582	0.522	5	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){3|C<3>}	114.8820	0.000	1	114.8820	0.000	1	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){3|C<3>}	113.9603	0.641	3	113.9603	0.411	3	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	114.6440	0.211	2	114.6440	0.044	2	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	114.5390	0.000	1	113.4144	3.126	34	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,2|C<3>}	114.2990	0.180	3	113.4144	3.126	34	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|F<1>,2|C<3>}	113.8105	0.633	2	113.4144	3.126	34	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	113.7040	0.833	2	113.4144	3.126	34	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	113.2163	1.969	26	113.4144	3.126	34	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	113.9157	0.693	3	113.9393	0.335	47	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	114.3270	0.000	1	113.9393	0.335	47	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	114.5927	0.201	4	113.9393	0.335	47	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	113.4240	0.219	2	113.9393	0.335	47	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	113.8467	0.604	31	113.9393	0.335	47	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	114.0880	0.000	1	113.9393	0.335	47	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	114.1030	0.360	5	113.9393	0.335	47	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	113.9688	0.572	4	113.5167	0.431	88	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	114.6340	0.000	1	113.5167	0.431	88	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|N<2>}	114.4760	0.000	1	113.5167	0.431	88	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,2|N<2>}	114.6970	0.000	1	113.5167	0.431	88	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	114.1970	0.000	1	113.5167	0.431	88	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,2|N<2>}	114.0743	0.234	9	113.5167	0.431	88	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|O<1>,2|N<3>}	113.3599	0.627	69	113.5167	0.431	88	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,1|O<1>}	113.5440	0.008	2	113.5167	0.431	88	113.6586	0.965	180	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	112.5990	0.000	1	112.2930	0.231	3	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H){3|C<3>}	112.1400	0.567	2	112.2930	0.231	3	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	112.3827	0.232	3	112.3827	0.054	3	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|C<3>}	112.7070	0.000	1	112.7070	0.000	1	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	112.3743	0.863	4	112.0454	0.698	17	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	112.2992	0.320	10	112.0454	0.698	17	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<4>}	110.7610	0.997	3	112.0454	0.698	17	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<2>}	112.2060	0.000	1	111.7188	0.826	24	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	112.0777	0.181	3	111.7188	0.826	24	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>}	111.6407	0.978	20	111.7188	0.826	24	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	112.7070	0.000	1	112.7070	0.000	1	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	109.2550	0.000	1	111.0785	6.650	2	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	112.9020	0.000	1	111.0785	6.650	2	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	112.5660	0.000	1	112.5660	0.000	1	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){3|C<3>}	112.3236	0.199	5	112.3236	0.040	5	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	112.3197	0.452	3	112.3197	0.204	3	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	112.1630	0.483	3	111.9596	0.317	8	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	111.8376	0.623	5	111.9596	0.317	8	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>}	110.3406	4.611	29	110.3406	21.263	29	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(H){1|H<1>}	111.0940	0.000	1	111.0940	0.000	1	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|N<3>}	113.0260	0.000	1	112.8480	0.063	2	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|N<3>}	112.6700	0.000	1	112.8480	0.063	2	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|N<3>}	112.0750	0.187	2	112.0750	0.035	2	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H){1|N<3>}	112.6620	0.000	1	112.6620	0.000	1	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|O<2>}	112.7180	0.000	1	112.7180	0.000	1	111.5446	6.831	104	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H){1|C<3>}	112.9500	0.000	1	112.9500	0.000	1	112.9500	0.000	1	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(I){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(H){1|H<1>}	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	113.0265	3.518	353	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|H<1>,2|C<3>}	112.7830	0.000	1	112.7830	0.000	1	112.7830	0.000	1	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC){1|H<1>}	109.4025	3.686	2	109.4025	13.588	2	109.4025	13.588	2	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	110.8210	0.000	1	110.8210	0.000	1	110.7932	0.326	10	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	110.8358	0.704	5	110.7901	0.366	9	110.7932	0.326	10	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	110.7330	0.555	4	110.7901	0.366	9	110.7932	0.326	10	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(OH)	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(OH){1|H<1>}	107.9965	2.584	2	107.9965	6.680	2	107.9965	6.680	2	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	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>}	110.7540	0.156	2	110.6406	0.064	5	110.7594	0.494	54	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.5650	0.308	3	110.6406	0.064	5	110.7594	0.494	54	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	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>}	111.0478	0.451	6	110.7715	0.539	49	110.7594	0.494	54	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	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>}	110.5475	0.207	2	110.7715	0.539	49	110.7594	0.494	54	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	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>}	109.8570	0.492	2	110.7715	0.539	49	110.7594	0.494	54	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	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>}	110.6050	0.000	1	110.7715	0.539	49	110.7594	0.494	54	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	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>}	110.2643	0.570	13	110.7715	0.539	49	110.7594	0.494	54	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	111.0512	0.760	23	110.7715	0.539	49	110.7594	0.494	54	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	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>}	111.2445	0.305	2	110.7715	0.539	49	110.7594	0.494	54	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	111.6190	0.000	1	111.6190	0.000	1	110.5950	0.398	8	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.4995	0.544	6	110.4995	0.296	6	110.5950	0.398	8	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]N[5a]H)2{1|C<3>}	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.1440	0.000	1	110.1440	0.000	1	110.5950	0.398	8	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NN)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<2>,1|O<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NN){1|H<1>}	110.2270	0.517	3	110.2270	0.268	3	110.2270	0.268	3	110.6495	0.960	80	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	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])(C[5a]N[5a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5,5a]C[6a])(N[5a]C[5,5a])(H){4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]H){1|N<2>,3|C<3>}	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>}	113.7610	0.000	1	113.7610	0.000	1	113.7610	0.000	1	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	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>}	115.5680	0.000	1	112.9680	13.520	2	112.9680	13.520	2	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[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])(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	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>}	110.3680	0.000	1	112.9680	13.520	2	112.9680	13.520	2	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|H<1>,2|C<3>}	113.1250	0.000	1	113.1250	0.000	1	113.9096	0.232	14	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,2|C<3>}	114.0230	0.397	2	114.0230	0.158	2	113.9096	0.232	14	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|H<1>,2|C<3>}	113.7870	0.000	1	113.7870	0.000	1	113.9096	0.232	14	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O){1|H<1>,2|C<3>}	113.9530	0.000	1	113.9530	0.000	1	113.9096	0.232	14	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|H<1>,2|C<3>}	112.9500	0.000	1	112.9500	0.000	1	113.9096	0.232	14	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNN){1|H<1>,2|C<3>}	114.3390	0.079	2	114.3390	0.006	2	113.9096	0.232	14	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCO){2|C<3>}	114.2848	0.129	4	114.2848	0.017	4	113.9096	0.232	14	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(COO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(COO){2|C<3>}	113.5285	0.005	2	113.5285	0.000	2	113.9096	0.232	14	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	114.0480	0.153	2	114.0480	0.023	2	114.0853	0.060	4	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H){1|B<4>,2|H<1>,4|C<3>}	114.1225	0.390	2	114.1225	0.152	2	114.0853	0.060	4	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){4|C<3>}	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>}	112.8240	0.581	2	112.8240	0.338	2	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	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>}	114.3950	0.000	1	114.2685	0.466	19	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	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>}	113.7520	0.000	1	114.2685	0.466	19	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	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>}	114.4380	0.000	2	114.2685	0.466	19	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	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>}	114.3230	0.000	1	114.2685	0.466	19	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	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>}	114.2683	0.787	14	114.2685	0.466	19	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	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>}	114.3545	0.344	2	114.4762	0.136	6	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<3>,2|N<2>}	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>}	114.4010	0.000	1	114.4762	0.136	6	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<3>,2|N<2>}	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>}	114.6790	0.659	2	114.4762	0.136	6	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|N<2>}	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>}	114.3890	0.000	1	114.4762	0.136	6	114.2077	0.528	27	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	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>}	114.1820	0.269	2	114.1820	0.072	2	114.3243	0.097	3	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){6|C<3>}	114.6090	0.000	1	114.6090	0.000	1	114.3243	0.097	3	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNN){1|C<4>}	111.9115	0.267	2	111.9115	0.071	2	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<3>}	112.7100	0.000	1	112.4900	0.097	2	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<4>}	112.2700	0.000	1	112.4900	0.097	2	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNN){3|C<3>}	112.3863	0.203	4	112.3863	0.041	4	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC){1|H<1>}	111.9245	0.429	2	111.9245	0.184	2	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCF)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCF){1|H<1>}	112.0860	0.000	1	112.0860	0.000	1	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCN){1|H<1>}	112.1255	0.029	2	112.1255	0.001	2	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO){1|H<1>}	112.3870	0.445	2	112.3870	0.198	2	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[3]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[3]C){1|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]C){1|H<1>}	113.2615	0.960	2	113.2615	0.921	2	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){1|H<1>}	111.9975	0.497	2	111.9975	0.247	2	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNN){1|H<1>}	112.2952	0.280	5	112.2952	0.078	5	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNO){1|H<1>}	112.2890	0.000	1	112.2890	0.000	1	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]C){1|H<1>}	103.8890	0.000	1	103.8890	0.000	1	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[6]O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[6]O){1|H<1>}	112.4310	0.000	1	112.4310	0.000	1	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|H<1>}	112.1085	0.331	4	112.1085	0.109	4	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COS)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COS){1|H<1>}	111.8680	0.000	1	111.8680	0.000	1	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC){1|N<3>}	112.2508	0.127	5	112.2508	0.016	5	112.0421	2.000	38	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|H<1>}	111.3970	0.000	1	111.7885	0.307	2	112.3837	0.390	20	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	112.1800	0.000	1	111.7885	0.307	2	112.3837	0.390	20	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	112.0550	0.000	1	112.4954	0.356	17	112.3837	0.390	20	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	112.5229	0.605	16	112.4954	0.356	17	112.3837	0.390	20	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){1|N<2>,1|S<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,2|C<3>}	111.6760	0.000	1	111.6760	0.000	1	112.3837	0.390	20	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<2>,1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2){1|C<2>,1|C<3>,2|H<1>}	108.4220	0.000	1	108.4220	0.000	1	110.1885	6.241	2	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>}	111.9550	0.000	1	111.9550	0.000	1	110.1885	6.241	2	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	112.9630	0.184	2	112.9630	0.034	2	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|F<1>,3|C<3>}	111.6970	0.000	1	112.2265	0.561	2	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	112.7560	0.000	1	112.2265	0.561	2	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.6890	0.000	1	112.6890	0.000	1	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.8210	0.000	1	112.8210	0.000	1	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	112.7070	0.573	4	111.3369	3.893	72	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	112.4770	0.536	2	111.3369	3.893	72	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	107.7890	1.037	3	111.3369	3.893	72	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	112.2300	0.000	1	111.3369	3.893	72	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	112.7890	0.000	1	111.3369	3.893	72	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	111.5290	0.602	5	111.3369	3.893	72	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	111.3106	2.016	55	111.3369	3.893	72	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|N<2>,3|H<1>}	112.3590	0.000	1	111.3369	3.893	72	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	112.3740	0.000	1	111.7387	0.379	8	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	111.6480	0.604	7	111.7387	0.379	8	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[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)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	112.7090	0.000	1	112.7090	0.000	1	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	111.6930	0.611	2	111.6930	0.373	2	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H){1|C<3>,1|C<4>}	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>}	113.1990	0.000	1	113.1990	0.000	1	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	113.0400	0.000	1	113.0400	0.000	1	111.5208	3.307	91	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH){1|C<2>}	111.6730	0.000	1	111.6730	0.000	1	111.7160	0.004	2	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH){1|N<3>}	111.7590	0.000	1	111.7590	0.000	1	111.7160	0.004	2	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>}	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	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)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){4|C<3>}	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>}	111.8090	0.000	1	111.8090	0.000	1	112.0980	0.289	18	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	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)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	110.9200	0.000	1	110.9200	0.000	1	112.0980	0.289	18	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	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)	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	112.1040	0.255	8	112.1040	0.065	8	112.0980	0.289	18	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	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)	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,4|C<3>}	112.1145	0.088	2	112.1145	0.008	2	112.0980	0.289	18	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	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)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	113.0180	0.221	2	113.0180	0.049	2	112.0980	0.289	18	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	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)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	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>}	112.3535	0.344	2	111.9845	0.395	4	112.0980	0.289	18	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	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)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	111.6155	0.722	2	111.9845	0.395	4	112.0980	0.289	18	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|N<3>,1|O<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NHH){1|C<4>}	111.8520	0.000	1	111.8520	0.000	1	111.8520	0.000	1	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CCH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|O<1>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CCH){1|C<3>}	103.9960	0.000	1	103.9960	0.000	1	103.9960	0.000	1	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:S-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(S){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<3>,1|H<1>}	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>}	105.6520	0.000	1	105.6520	0.000	1	105.6520	0.000	1	112.2419	3.397	226	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br){2|Br<1>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	110.7890	2.501	3	110.7890	6.254	3	112.4247	4.443	7	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br){2|Br<1>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3){1|Br<1>}	113.5280	0.007	2	113.5280	0.000	2	112.4247	4.443	7	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br){2|H<1>}	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3){1|H<1>}	113.7750	0.202	2	113.7750	0.041	2	112.4247	4.443	7	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	115.7530	0.413	4	115.7530	0.171	4	115.5870	0.266	5	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH){1|H<1>,2|C<3>}	114.9230	0.000	1	114.9230	0.000	1	115.5870	0.266	5	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Cl){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3){1|N<3>}	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3){2|C<4>,2|H<1>}	112.9750	0.433	2	113.0020	0.096	3	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H){1|C<3>,4|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3){2|C<4>,2|H<1>}	113.0560	0.000	1	113.0020	0.096	3	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){2|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3){1|C<3>,1|H<1>,2|C<4>}	113.6450	0.000	1	113.6450	0.000	1	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,4|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	112.8110	0.474	2	112.8937	0.133	3	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){2|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	113.0590	0.000	1	112.8937	0.133	3	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){2|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	112.7000	0.000	1	112.7000	0.000	1	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH){2|C<3>}	115.2080	0.000	1	114.0510	1.005	3	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH){2|C<3>}	113.4725	0.053	2	114.0510	1.005	3	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	113.5465	0.429	12	113.7590	0.392	20	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Cd<6>,2|C<3>}	115.2390	0.221	2	113.7590	0.392	20	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Co<5>,2|C<3>}	113.9490	0.000	1	113.7590	0.392	20	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pd<4>,2|C<3>}	113.4790	0.127	3	113.7590	0.392	20	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pt<4>,2|C<3>}	114.1200	0.000	1	113.7590	0.392	20	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Rh<6>,2|C<3>}	113.6380	0.000	1	113.7590	0.392	20	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	114.4690	0.000	1	114.4690	0.000	1	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|C<3>}	114.9600	0.000	1	114.9600	0.000	1	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){2|C<3>}	115.2710	0.000	1	115.2710	0.000	1	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,2|N<2>}	114.0250	0.000	1	113.9290	0.012	3	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|Pt<4>,1|C<4>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	113.9490	0.000	1	113.9290	0.012	3	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	113.8130	0.000	1	113.9290	0.012	3	113.7257	0.544	37	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6]S)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(SNOO)	C[5a](N[5a]C[5a,6]S)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|S<4>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(SNOO){1|C<3>,1|H<1>,2|C<4>}	112.4433	0.222	3	112.4433	0.049	3	112.4433	0.049	3	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	113.9415	0.168	2	113.9415	0.028	2	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	114.1410	1.905	2	114.1410	3.629	2	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	113.9740	0.417	4	113.9740	0.174	4	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	113.7670	0.000	1	113.7670	0.000	1	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	114.4330	0.000	1	114.4330	0.000	1	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	113.8284	0.415	5	113.9653	0.250	6	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	114.6500	0.000	1	113.9653	0.250	6	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	114.6340	0.000	1	114.6763	0.021	3	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	114.6975	0.200	2	114.6763	0.021	3	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	114.3768	0.487	38	114.3768	0.238	38	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	113.6870	0.000	1	113.6870	0.000	1	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH){1|H<1>,2|C<3>}	114.7145	0.182	2	114.7145	0.033	2	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	114.2030	0.335	3	114.2030	0.113	3	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|H<1>,2|C<3>}	114.3400	0.000	1	114.3400	0.000	1	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,2|C<3>}	114.6110	0.000	1	114.6110	0.000	1	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	113.6754	1.070	36	113.7340	1.148	38	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|C<3>}	114.6560	0.000	1	113.7340	1.148	38	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	114.9200	0.000	1	113.7340	1.148	38	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	114.8085	0.221	2	114.6364	0.193	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	114.4857	0.418	3	114.6364	0.193	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	114.1830	0.296	2	114.6364	0.193	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	115.1440	0.074	2	114.6364	0.193	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){1|H<1>,2|C<3>}	113.9360	0.000	1	113.9360	0.000	1	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH){1|H<1>,2|C<3>}	114.2840	0.000	1	114.2840	0.000	1	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	114.1906	0.346	5	114.1906	0.120	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	114.5060	0.000	1	114.3270	0.064	2	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	114.1480	0.000	1	114.3270	0.064	2	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3){2|C<3>}	114.4925	0.329	2	114.4925	0.108	2	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	114.6286	0.248	7	114.2225	0.265	26	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	113.3782	0.200	4	114.2225	0.265	26	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	114.1762	0.324	12	114.2225	0.265	26	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	114.5863	0.520	3	114.2225	0.265	26	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	115.0527	0.077	3	114.0885	0.423	53	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	114.2814	0.516	5	114.0885	0.423	53	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	113.4666	0.536	8	114.0885	0.423	53	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	113.8935	0.498	25	114.0885	0.423	53	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	115.8770	0.000	1	114.0885	0.423	53	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|P<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	114.7590	0.000	1	114.0885	0.423	53	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	114.2170	0.000	1	114.0885	0.423	53	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	114.1035	0.064	2	114.0885	0.423	53	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	114.5703	0.330	7	114.0885	0.423	53	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	113.6950	0.000	1	113.8004	0.233	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	113.6517	0.525	3	113.8004	0.233	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	114.3520	0.000	1	113.8004	0.233	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	114.0707	0.441	6	114.1554	0.212	7	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	114.6640	0.000	1	114.1554	0.212	7	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	115.1680	0.000	1	114.6999	0.231	22	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	114.7749	0.269	9	114.6999	0.231	22	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	114.1630	0.500	4	114.6999	0.231	22	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|P<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	115.4665	0.309	2	114.6999	0.231	22	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	114.2220	0.000	1	114.6999	0.231	22	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	114.8220	0.289	4	114.6999	0.231	22	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	114.1600	0.000	1	114.6999	0.231	22	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	114.6953	0.057	3	114.0525	0.332	8	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	113.9810	0.000	1	114.0525	0.332	8	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	113.5883	0.266	4	114.0525	0.332	8	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	113.3275	1.330	6	113.6904	1.715	8	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	114.7790	0.008	2	113.6904	1.715	8	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|Cl<1>,2|N<2>}	115.3410	0.000	1	115.3410	0.000	1	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,2|N<2>}	114.8600	0.000	1	114.1507	0.177	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	114.0580	0.000	1	114.1507	0.177	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|N<2>}	114.7320	0.000	1	114.1507	0.177	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<2>,2|N<2>}	114.2580	0.000	1	114.1507	0.177	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	113.9400	0.000	1	114.1507	0.177	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	113.8770	0.264	4	114.1507	0.177	9	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|O<1>,2|N<3>}	113.9805	0.764	2	113.9805	0.584	2	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH){1|Cl<1>,2|N<2>}	114.9520	0.000	1	114.9520	0.000	1	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|N<2>,1|N<3>,1|O<1>}	114.6160	0.000	1	113.5068	0.571	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	113.2295	0.499	4	113.5068	0.571	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<2>,2|N<2>}	115.0285	0.275	2	114.7446	0.185	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|N<2>}	114.8000	0.000	1	114.7446	0.185	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|I<1>,2|N<2>}	114.8250	0.000	1	114.7446	0.185	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|N<3>}	114.0410	0.000	1	114.7446	0.185	5	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<2>,2|N<2>}	114.7070	0.134	2	113.5572	0.540	116	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<2>,2|N<2>}	114.6370	0.000	1	113.5572	0.540	116	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	113.5273	0.721	113	113.5572	0.540	116	113.9870	0.604	391	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|H<1>,2|C<3>,2|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H){1|H<1>,2|C<3>,2|C<4>}	114.3360	0.000	1	114.3360	0.000	1	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.5680	0.000	1	114.1970	0.791	2	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,3|H<1>}	114.8260	0.000	1	114.1970	0.791	2	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	114.0980	0.000	1	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	113.6170	0.000	1	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	113.3155	0.278	2	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	113.9520	0.000	1	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	114.2150	0.000	1	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.7925	0.165	2	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|C<3>,4|H<1>}	115.0775	0.185	2	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	113.3455	0.148	2	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	113.6050	0.000	1	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	113.9885	0.296	2	114.0351	0.426	15	114.0698	0.404	18	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:P[6]-4:	C[5a](N[5a]C[5a,6a]P[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(P[6]N[6]2O)	C[5a](N[5a]C[5a,6a]P[6])(N[5a]C[5a,6a])(H){1|O<2>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|C<3>,2|P<4>}	114.4458	0.188	4	114.4458	0.035	4	114.4458	0.035	4	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	113.7250	0.000	1	113.4835	0.117	2	113.7205	0.120	4	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|O<2>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	113.2420	0.000	1	113.4835	0.117	2	113.7205	0.120	4	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|S<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a]OO){2|C<3>}	113.9575	0.139	2	113.9575	0.019	2	113.7205	0.120	4	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-4:	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3){1|C<4>}	113.1539	0.316	8	113.1539	0.100	8	113.1539	0.100	8	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){3|C<3>}	113.8300	0.000	1	113.8300	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|N<2>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH){1|C<3>}	113.0690	0.000	1	113.0690	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	113.4470	0.000	1	113.4470	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|Br<1>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3){1|Br<1>}	112.4875	0.275	2	112.4875	0.076	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>}	113.3460	0.000	1	113.3460	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<2>}	113.0480	0.000	1	113.0480	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<2>}	113.6912	0.576	6	113.3182	0.452	10	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	112.7587	0.330	4	113.3182	0.452	10	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|C<4>}	111.6010	0.000	2	111.6010	0.000	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<3>}	113.5470	0.000	1	111.6318	1.765	5	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<4>}	111.1530	0.908	4	111.6318	1.765	5	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	113.1250	0.000	1	113.1250	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|C<3>}	112.5400	0.000	1	112.5400	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH){1|C<3>}	112.3805	0.168	4	112.3805	0.028	4	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	115.0438	0.406	4	115.0438	0.165	4	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	112.5350	0.000	1	112.5350	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	112.1743	0.546	3	112.1743	0.298	3	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH){3|C<3>}	113.3840	0.000	1	113.3840	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){3|C<3>}	112.9440	0.000	1	112.9440	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|Cl<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH){1|Cl<1>}	112.6585	0.162	2	112.6585	0.026	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|Cl<1>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|Cl<1>}	113.6920	0.000	1	113.6920	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,1|O<2>}	112.9630	0.000	1	112.9630	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	112.7980	0.000	1	112.7980	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	112.3423	0.284	4	112.3423	0.081	4	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,2|C<3>}	112.9630	0.000	1	112.9630	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	112.9570	0.000	1	112.9570	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	109.8986	2.421	5	109.8986	5.862	5	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	111.1188	2.455	92	111.1188	6.026	92	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN){1|H<1>}	113.6400	0.000	1	113.6400	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH){1|H<1>}	112.1305	0.115	2	112.1305	0.013	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	112.1927	1.110	6	112.1927	1.233	6	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	112.0090	0.389	6	112.0090	0.151	6	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>}	112.0663	0.243	3	112.0663	0.059	3	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|H<1>}	112.5975	0.060	2	112.5975	0.004	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH){1|H<1>}	112.6360	0.000	1	112.6360	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	111.7556	1.487	69	111.7556	2.212	69	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|H<1>}	110.0595	3.535	8	110.0595	12.496	8	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO){1|H<1>}	110.4855	2.880	2	110.4855	8.295	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH){1|H<1>}	112.4810	0.000	1	112.4810	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH){1|H<1>}	112.4840	0.000	1	112.4840	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|H<1>}	113.5970	0.000	1	113.5970	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|I<1>}	112.6200	0.000	1	112.6200	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<3>}	112.8685	0.039	2	112.8685	0.002	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	112.4210	0.517	4	112.4210	0.267	4	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|N<2>}	112.9140	0.000	1	112.9140	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	113.3385	0.473	2	113.3385	0.224	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	113.3390	0.000	1	113.1405	0.079	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	112.9420	0.000	1	113.1405	0.079	2	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN){1|N<3>}	114.1820	0.000	1	114.1820	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<4>}	112.7608	0.186	5	112.7608	0.035	5	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|N<3>,1|S<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH){1|N<3>}	113.3240	0.000	1	113.3240	0.000	1	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H){1|N<3>,3|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	114.1836	0.229	5	114.1836	0.053	5	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|P<4>}	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	113.2245	0.555	6	113.2245	0.308	6	111.8621	3.946	281	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P[6]-4:	C[5a](N[5a]C[5a]P[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O)	C[5a](N[5a]C[5a]P[6])(N[5a]C[5a])(H){1|O<2>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|P<4>}	112.7858	0.741	4	112.7858	0.549	4	112.7858	0.549	4	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<3>}	111.9531	0.200	9	111.9531	0.040	9	111.8016	0.074	22	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){1|S<4>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	111.7043	0.279	3	111.7043	0.078	3	111.8016	0.074	22	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	111.5700	0.000	1	111.7943	0.093	4	111.8016	0.074	22	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	111.8690	0.325	3	111.7943	0.093	4	111.8016	0.074	22	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<3>}	111.4320	0.000	1	111.4320	0.000	1	111.8016	0.074	22	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]OO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]OO){1|H<1>}	111.2030	0.000	1	111.2030	0.000	1	111.8016	0.074	22	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SN[5a]OO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SN[5a]OO){1|H<1>}	111.8815	0.019	2	111.8815	0.000	2	111.8016	0.074	22	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|N<2>,1|S<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SNOO){1|H<1>}	111.8040	0.000	1	111.8040	0.000	1	111.8016	0.074	22	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SCOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SCOO){1|N<3>}	111.5660	0.000	1	111.5660	0.000	1	111.8016	0.074	22	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>}	112.8525	0.019	2	112.8525	0.000	2	112.8525	0.000	2	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|H<1>,2|C<3>}	114.8910	0.000	1	114.8910	0.000	1	114.3073	0.257	3	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]I){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH){1|O<1>,2|N<3>}	114.0500	0.000	1	114.0500	0.000	1	114.3073	0.257	3	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]I){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|O<1>,2|N<3>}	113.9810	0.000	1	113.9810	0.000	1	114.3073	0.257	3	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH){1|H<1>}	112.1385	0.093	2	112.1385	0.009	2	112.2222	0.063	5	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I){2|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I){1|C<4>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3){1|I<1>}	112.2780	0.333	3	112.2780	0.111	3	112.2222	0.063	5	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Se-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Se)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Se){2|H<1>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	106.0250	0.000	1	106.0250	0.000	1	106.0250	0.000	1	113.1212	2.902	797	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a]){5|H<1>}	111.5530	0.117	2	111.5530	0.014	2	111.5530	0.014	2	111.5530	0.014	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.0740	0.000	1	115.0740	0.000	1	115.0740	0.000	1	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:D-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(D)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]D)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]D)(C[5a]N[5a]D)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(D){1|C<3>,1|C<4>,1|D<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]D){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]D)(C[5a]N[5a]D){1|C<4>,2|C<3>,2|D<1>}	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.1280	0.000	1	113.1280	0.000	1	113.0908	0.830	10	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.4972	0.700	6	113.0867	0.934	9	113.0908	0.830	10	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	111.8995	1.088	2	113.0867	0.934	9	113.0908	0.830	10	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	112.9980	0.000	1	113.0867	0.934	9	113.0908	0.830	10	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3x6]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[3x6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[3x6])(N[5a]C[5a,6a])(H){2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H){2|C<3>,3|C<4>,7|H<1>}	114.9760	0.000	1	114.9760	0.000	1	114.9760	0.000	1	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[4,5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[4,5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[4,5])(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	113.7780	0.000	1	113.9335	0.048	2	113.9335	0.048	2	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	114.0890	0.000	1	113.9335	0.048	2	113.9335	0.048	2	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	115.6350	0.000	1	114.2395	3.895	2	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.8440	0.000	1	114.2395	3.895	2	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.5180	0.065	2	113.6177	0.032	3	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){2|C<3>,3|C<4>,3|H<1>}	113.8170	0.000	1	113.6177	0.032	3	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	113.0970	0.000	1	113.8747	0.655	3	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<3>,3|C<4>}	113.8150	0.000	1	113.8747	0.655	3	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<4>,3|C<3>}	114.7120	0.000	1	113.8747	0.655	3	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.3100	0.031	2	114.3100	0.001	2	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.8630	0.000	1	113.8630	0.000	1	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	113.0860	0.000	1	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	112.9110	0.000	1	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	113.1520	0.000	1	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.8715	0.934	6	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	112.8513	0.208	3	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.8593	0.289	11	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	114.3939	0.875	8	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	113.6590	0.000	1	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.3780	0.000	1	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.8180	0.000	1	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	114.5900	0.000	1	113.6851	0.695	35	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|C<4>}	114.4460	0.478	2	114.4460	0.228	2	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<2>}	115.8810	0.324	2	115.8810	0.105	2	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	113.3700	0.000	1	113.3700	0.000	1	113.8518	0.805	51	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.6020	0.000	1	113.2153	0.113	3	114.3828	0.695	12	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	113.0220	0.033	2	113.2153	0.113	3	114.3828	0.695	12	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	115.0910	0.144	2	115.0910	0.021	2	114.3828	0.695	12	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	114.8930	0.632	4	114.6809	0.281	7	114.3828	0.695	12	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	114.3980	0.180	3	114.6809	0.281	7	114.3828	0.695	12	113.8715	0.864	79	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	110.2750	0.000	1	110.2750	0.000	1	110.1052	0.066	5	110.1052	0.066	5	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.9560	0.215	3	109.9560	0.046	3	110.1052	0.066	5	110.1052	0.066	5	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:2:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)2{1|C<4>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	110.3830	0.000	1	110.3830	0.000	1	110.1052	0.066	5	110.1052	0.066	5	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	B-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|B<4>,1|H<1>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>}	113.1990	0.594	3	113.1990	0.353	3	113.3802	0.215	12	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	B-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|B<4>,1|H<1>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	113.4406	0.438	9	113.4406	0.191	9	113.3802	0.215	12	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	112.1490	0.078	2	112.1490	0.006	2	109.9013	15.159	3	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	105.4060	0.000	1	105.4060	0.000	1	109.9013	15.159	3	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[3,5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[3,5]C[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[3,5]C[5a])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,4|C<4>}	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[3]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a])(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.1370	0.000	1	112.1370	0.000	1	112.2751	0.126	9	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|N<2>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){2|H<1>,3|C<4>}	111.9570	0.345	2	111.9570	0.119	2	112.2751	0.126	9	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,2|O<2>,4|H<1>}	112.4487	0.469	3	112.4487	0.220	3	112.2751	0.126	9	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|F<1>}	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H){1|O<2>,2|C<4>,2|H<1>}	112.1290	0.000	1	112.1290	0.000	1	112.2751	0.126	9	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|Fe<10>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	112.6090	0.000	1	112.6090	0.000	1	112.2751	0.126	9	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|O<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	112.3410	0.000	1	112.3410	0.000	1	112.2751	0.126	9	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>,4|C<4>}	112.4170	0.000	1	112.4170	0.000	1	112.4363	0.004	3	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.4460	0.086	2	112.4460	0.007	2	112.4363	0.004	3	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	4:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<3>,1|O<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	112.0805	0.166	2	112.0805	0.028	2	112.0805	0.028	2	112.4617	2.150	31	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	5:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	P[5]-5:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]P[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]P[5])(N[5a]C[5a])(H){1|N<3>,2|H<1>,3|O<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|P<5>}	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	113.1125	1.170	2	113.1125	1.370	2	113.1125	1.370	2	113.1125	1.370	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	6:3:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(N[5a]C[5a,6a])(H){1|C<6>,2|C<3>,4|B<6>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|B<6>,1|H<1>,2|C<3>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<6>,2|C<3>,4|B<6>,6|H<1>}	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	109.0832	1.465	17	109.0832	2.147	17	109.0832	2.147	17	109.0437	1.933	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(O)	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|O<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(O)	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	109.0437	1.933	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:Se-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(SeC)	N[5a](C[5a]N[5a]Se)(N[5a]N[5a])	N[5a](C[5a]N[5a]Se)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(SeC)	N[5a](C[5a]N[5a]Se)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]Se)(N[5a]N[5a])(H)	108.4020	0.000	1	108.4020	0.000	1	108.4020	0.000	1	109.0437	1.933	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	108.8430	0.000	1	108.8430	0.000	1	108.8430	0.000	1	106.6070	0.673	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|O<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	106.3174	0.288	13	106.3174	0.083	13	106.4473	0.313	14	106.6070	0.673	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OH)	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|O<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OH)	108.1360	0.000	1	108.1360	0.000	1	106.4473	0.313	14	106.6070	0.673	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN){2|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){2|N<2>}	107.4500	0.047	2	107.4500	0.002	2	107.4500	0.002	2	108.0910	1.234	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	109.3730	0.000	1	109.3730	0.000	1	109.3730	0.000	1	108.0910	1.234	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	107.6916	1.260	8	107.6916	1.587	8	107.9977	1.017	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	107.8255	0.204	2	107.8255	0.042	2	107.9977	1.017	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	107.5520	0.485	2	107.5520	0.235	2	107.9977	1.017	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	108.5241	0.794	7	108.5241	0.630	7	107.9977	1.017	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	108.6900	0.000	1	108.6900	0.000	1	108.6702	0.464	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	108.8418	0.275	11	108.8418	0.076	11	108.6702	0.464	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5])	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	109.1200	0.000	1	109.1200	0.000	1	108.6702	0.464	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	109.1520	0.000	1	109.1520	0.000	1	108.6702	0.464	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	107.1650	0.000	1	107.1650	0.000	1	108.6702	0.464	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	107.2750	0.000	1	107.2750	0.000	1	108.6702	0.464	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPt)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPt)	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	107.3740	0.000	1	107.3740	0.000	1	108.6702	0.464	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	109.3490	0.148	2	109.3490	0.022	2	108.6702	0.464	19	108.3340	0.837	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H){1|N<2>,1|N<3>}	105.8330	0.000	1	105.8330	0.000	1	113.0025	13.987	6	113.1576	11.824	7	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	114.4364	1.437	5	114.4364	2.064	5	113.0025	13.987	6	113.1576	11.824	7	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(SC){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(H){2|C<3>}	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	113.1576	11.824	7	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NN){2|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|N<2>,1|N<3>}	106.7740	0.195	3	106.7740	0.038	3	106.7740	0.038	3	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC){2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC){2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	110.7095	0.216	2	110.7095	0.047	2	110.7095	0.047	2	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	109.7710	0.227	4	109.7710	0.052	4	108.9232	6.328	8	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[5])	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[5]){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	109.3400	0.000	1	109.3400	0.000	1	108.9232	6.328	8	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[5a])	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	110.2530	0.000	1	110.2530	0.000	1	108.9232	6.328	8	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[6a])	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[6a]){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	109.9690	0.000	1	109.9690	0.000	1	108.9232	6.328	8	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SH){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	102.7400	0.000	1	102.7400	0.000	1	108.9232	6.328	8	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	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>}	109.0800	0.000	1	108.7072	0.176	37	108.6666	0.602	45	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	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>}	108.2520	0.000	1	108.7072	0.176	37	108.6666	0.602	45	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	109.4100	0.000	1	108.7072	0.176	37	108.6666	0.602	45	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	108.6889	0.408	34	108.7072	0.176	37	108.6666	0.602	45	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	109.8570	0.000	1	109.8570	0.000	1	108.6666	0.602	45	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCd){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	106.1785	1.440	2	106.1785	2.075	2	108.6666	0.602	45	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPd){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	107.8770	0.000	1	107.8770	0.000	1	108.6666	0.602	45	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPt)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPt){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	110.2180	0.000	1	110.2180	0.000	1	108.6666	0.602	45	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	109.1743	0.455	3	109.1743	0.207	3	108.6666	0.602	45	108.6619	1.570	59	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NH){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OH){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	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>}	103.6360	0.000	1	103.6360	0.000	1	103.6360	0.000	1	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){3|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){2|C<3>}	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>}	111.5670	0.000	1	110.7687	0.498	3	110.8608	0.175	13	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){3|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.3695	0.202	2	110.7687	0.498	3	110.8608	0.175	13	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	110.8504	0.312	7	110.8504	0.097	7	110.8608	0.175	13	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|C<4>}	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>}	111.5290	0.000	1	111.5290	0.000	1	110.8608	0.175	13	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SS){3|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){2|C<3>}	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>}	110.7015	0.043	2	110.7015	0.002	2	110.8608	0.175	13	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NHH){2|C<3>}	110.3510	0.000	1	110.3510	0.000	1	110.0837	0.414	4	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	109.8885	1.039	2	109.8885	1.079	2	110.0837	0.414	4	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[6a])	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[6a]){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NHH){2|C<3>}	110.2070	0.000	1	110.2070	0.000	1	110.0837	0.414	4	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){1|Br<1>,2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|Br<1>,1|C<3>}	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>}	110.7400	0.250	4	110.7400	0.063	4	110.7400	0.063	4	110.1746	3.275	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3){3|C<4>}	111.3240	0.000	1	111.3240	0.000	1	111.0298	0.103	4	111.0298	0.103	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|O<2>}	110.8300	0.000	1	110.8300	0.000	1	111.0298	0.103	4	111.0298	0.103	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	111.2810	0.000	1	111.2810	0.000	1	111.0298	0.103	4	111.0298	0.103	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(SC){1|H<1>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	110.6840	0.000	1	110.6840	0.000	1	111.0298	0.103	4	111.0298	0.103	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	109.5990	0.000	1	109.5990	0.000	1	109.6921	0.920	22	109.7659	0.851	25	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|N<2>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	111.3280	0.000	1	111.3280	0.000	1	109.6921	0.920	22	109.7659	0.851	25	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a])	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a]){1|N<2>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	109.9040	0.000	1	109.9040	0.000	1	109.6921	0.920	22	109.7659	0.851	25	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	111.6875	0.039	2	110.1960	1.870	5	109.6921	0.920	22	109.7659	0.851	25	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	109.2017	0.180	3	110.1960	1.870	5	109.6921	0.920	22	109.7659	0.851	25	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	109.3677	0.766	12	109.3677	0.586	12	109.6921	0.920	22	109.7659	0.851	25	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	109.6820	0.000	1	109.6820	0.000	1	109.6921	0.920	22	109.7659	0.851	25	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	109.3220	0.000	1	109.3220	0.000	1	109.6921	0.920	22	109.7659	0.851	25	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(SS)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(SS){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(H){1|C<3>}	110.3067	0.217	3	110.3067	0.047	3	110.3067	0.047	3	109.7659	0.851	25	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH){1|N<2>}	109.7630	0.000	1	109.7630	0.000	1	108.4917	1.017	7	109.2942	2.030	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	109.5670	0.000	1	109.5670	0.000	1	108.4917	1.017	7	109.2942	2.030	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	108.0224	0.746	5	108.0224	0.557	5	108.4917	1.017	7	109.2942	2.030	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC){1|N<3>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O){1|C<4>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3){1|N<3>}	111.6940	0.000	1	111.6940	0.000	1	111.6940	0.000	1	109.2942	2.030	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|C<3>}	109.8750	0.000	1	109.8750	0.000	1	110.3667	0.241	3	109.2942	2.030	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	110.8560	0.000	1	110.8560	0.000	1	110.3667	0.241	3	109.2942	2.030	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<4>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|H<1>}	110.3690	0.000	1	110.3690	0.000	1	110.3667	0.241	3	109.2942	2.030	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	112.7344	2.102	9	112.7344	4.420	9	112.7344	4.420	9	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|C<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<2>}	113.7330	0.000	1	113.7330	0.000	1	111.5024	2.139	5	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){3|C<3>}	111.8160	0.000	1	111.8160	0.000	1	111.5024	2.139	5	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	110.6543	0.814	3	110.6543	0.663	3	111.5024	2.139	5	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SBr)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SBr){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	109.0240	0.000	1	109.0240	0.000	1	113.2627	1.644	15	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	113.5282	0.541	13	113.5282	0.293	13	113.2627	1.644	15	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SC[6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	114.0510	0.000	1	114.0510	0.000	1	113.2627	1.644	15	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SC){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H){3|C<3>}	111.9210	0.000	1	111.9210	0.000	1	112.9477	1.046	4	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SC){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H){3|C<3>}	112.7615	0.238	2	112.7615	0.057	2	112.9477	1.046	4	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SS){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H){1|H<1>}	114.3470	0.000	1	114.3470	0.000	1	112.9477	1.046	4	112.8138	2.557	33	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC){1|H<1>}	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	110.8830	0.018	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	110.8830	0.018	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(OC[6a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	111.6700	7.400	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:O-2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OC){1|Ge<4>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|Ge<4>,2|C<3>,2|H<1>}	114.0170	0.000	1	114.0170	0.000	1	113.8415	0.062	2	111.6700	7.400	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:O-2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OGe)	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OGe){1|Ge<4>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|Ge<4>,2|C<3>,2|H<1>}	113.6660	0.000	1	113.6660	0.000	1	113.8415	0.062	2	111.6700	7.400	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CNN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CNN){1|H<1>,2|C<3>}	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	111.6700	7.400	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CHH){1|H<1>}	106.8215	1.077	2	106.8215	1.160	2	106.8215	1.160	2	111.6700	7.400	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SS){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,3|H<1>}	111.5620	0.091	2	111.5620	0.008	2	111.5620	0.008	2	111.6700	7.400	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:Se-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SeSe){2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H){1|C<3>,1|H<1>}	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>}	112.7290	0.335	2	112.7290	0.112	2	112.7290	0.112	2	111.6700	7.400	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	114.3520	0.000	1	114.3520	0.000	1	114.3520	0.000	1	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	110.3010	0.000	1	110.3010	0.000	1	111.4384	0.440	13	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.5332	0.594	12	111.5332	0.353	12	111.4384	0.440	13	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO){1|O<1>,2|C<4>}	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	111.7710	0.000	1	111.7710	0.000	1	112.6878	0.318	5	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	112.8365	0.076	2	112.8365	0.006	2	112.6878	0.318	5	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	113.3070	0.000	1	113.3070	0.000	1	112.6878	0.318	5	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	112.6880	0.000	1	112.6880	0.000	1	112.6878	0.318	5	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	112.1420	0.000	1	112.1420	0.000	1	111.9397	0.032	3	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	111.7970	0.000	1	111.7970	0.000	1	111.9397	0.032	3	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|H<1>}	111.8800	0.000	1	111.8800	0.000	1	111.9397	0.032	3	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(NN){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(SNOO){1|C<3>}	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:O-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(OC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){3|C<3>}	115.2700	0.168	6	115.2700	0.028	6	115.2700	0.028	6	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(OC)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(OC){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|N<3>}	114.0560	0.000	1	114.0560	0.000	1	114.0560	0.000	1	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	113.6928	0.403	6	113.6928	0.162	6	113.5659	1.131	15	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	111.8365	2.543	2	111.8365	6.469	2	113.5659	1.131	15	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3){1|H<1>,2|C<3>}	113.9500	0.000	1	113.9500	0.000	1	113.5659	1.131	15	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH){1|H<1>,2|C<3>}	113.8940	0.000	1	113.8940	0.000	1	113.5659	1.131	15	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	113.9840	0.703	3	113.9840	0.494	3	113.5659	1.131	15	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH){1|H<1>,2|C<3>}	113.4610	0.000	1	113.4610	0.000	1	113.5659	1.131	15	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a]){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	114.4020	0.000	1	114.4020	0.000	1	113.5659	1.131	15	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH){3|C<3>}	112.3710	0.000	1	112.3710	0.000	1	111.1501	2.970	17	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH){1|H<1>}	112.5980	0.000	1	112.5980	0.000	1	111.1501	2.970	17	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	110.9196	2.079	5	110.9196	4.321	5	111.1501	2.970	17	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|H<1>}	112.8590	0.000	1	112.8590	0.000	1	111.1501	2.970	17	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a]){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	110.6130	0.468	2	110.6130	0.219	2	111.1501	2.970	17	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a])	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a]){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|I<1>}	112.2235	0.408	2	112.2235	0.166	2	111.1501	2.970	17	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRe)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRe){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	107.2850	0.000	1	107.2850	0.000	1	111.1501	2.970	17	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|H<1>}	112.1810	0.122	2	112.1810	0.015	2	111.1501	2.970	17	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	109.9025	0.083	2	109.9025	0.007	2	111.1501	2.970	17	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(SC[6a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(SC[6a]){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|I<1>,1|S<4>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S)(SNOO){1|H<1>}	111.4730	0.036	4	111.4730	0.001	4	111.4730	0.001	4	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Se-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SeHg)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SeHg){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3){1|H<1>,2|C<3>}	109.0925	2.134	6	109.0925	4.554	6	109.0925	4.554	6	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Se-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SeSe)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SeSe){2|H<1>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	110.1943	1.816	3	110.1943	3.296	3	110.1943	3.296	3	112.0856	3.888	77	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	112.7455	0.257	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N){1|O<1>,2|N<3>}	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	112.7455	0.257	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:2:	4:3:	3:3:3:	N[5a]-3:N[5a]-2:N-2:	N[5a]-4:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a])	N[5a](N[5a]C[5a]CC)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a]){1|O<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]CC)(C[5a]N[5a]N){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,4|C<4>}	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	108.1140	0.000	1	108.1140	0.000	1	107.7035	0.975	10	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	106.6680	1.225	3	106.6680	1.501	3	107.7035	0.975	10	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	108.3965	0.316	4	108.3965	0.100	4	107.7035	0.975	10	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	107.3760	0.000	1	107.3760	0.000	1	107.7035	0.975	10	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	107.9550	0.000	1	107.9550	0.000	1	107.7035	0.975	10	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){2|C<3>}	107.9978	0.282	5	107.9871	0.097	7	107.9871	0.097	7	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){2|C<3>}	107.9605	0.510	2	107.9871	0.097	7	107.9871	0.097	7	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	108.9240	0.000	1	108.9240	0.000	1	109.4769	0.573	19	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[5]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[5]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	109.0560	0.000	1	109.0560	0.000	1	109.4769	0.573	19	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[5a]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[5a]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	109.4536	0.456	8	109.4536	0.208	8	109.4769	0.573	19	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	111.2770	0.277	2	111.2770	0.077	2	109.4769	0.573	19	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	108.6640	0.308	2	108.6640	0.095	2	109.4769	0.573	19	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	109.3142	0.253	5	109.3142	0.064	5	109.4769	0.573	19	108.6946	1.275	36	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	108.7760	0.000	1	108.7760	0.000	1	108.3420	0.143	3	108.3420	0.143	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	108.1250	0.058	2	108.1250	0.003	2	108.3420	0.143	3	108.3420	0.143	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCC)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCC)	108.6620	0.000	1	108.6620	0.000	1	107.9207	0.531	3	108.0385	0.409	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCH)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCH)	107.2060	0.000	1	107.2060	0.000	1	107.9207	0.531	3	108.0385	0.409	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	107.8940	0.000	1	107.8940	0.000	1	107.9207	0.531	3	108.0385	0.409	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCH){2|C<4>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.0385	0.409	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	107.9300	0.328	3	107.9300	0.108	3	108.0040	0.094	4	108.6974	0.433	20	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	108.2260	0.000	1	108.2260	0.000	1	108.0040	0.094	4	108.6974	0.433	20	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	108.7200	0.000	1	108.7200	0.000	1	108.9026	0.379	15	108.6974	0.433	20	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	109.8650	0.000	1	109.8650	0.000	1	108.9026	0.379	15	108.6974	0.433	20	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	108.9223	0.393	3	108.9223	0.154	3	108.9026	0.379	15	108.6974	0.433	20	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	110.1980	0.000	1	110.1980	0.000	1	108.9026	0.379	15	108.6974	0.433	20	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	108.7701	0.390	8	108.7701	0.152	8	108.9026	0.379	15	108.6974	0.433	20	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	107.8280	0.000	1	107.8280	0.000	1	108.9026	0.379	15	108.6974	0.433	20	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){3|C<4>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH){2|C<4>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.6974	0.433	20	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CNO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CNO){1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	111.8980	0.000	1	111.8980	0.000	1	111.8980	0.000	1	110.5615	7.613	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H){1|N<2>,1|N<3>}	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	110.5615	7.613	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	110.5615	7.613	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]O[5a])(NHH)	N[5a](C[5a]N[5a]N)(O[5a]C[5a])	N[5a](C[5a]N[5a]N)(C[5a]O[5a]O)(H)	C[5a](N[5a]C[5a]H)(N[5a]O[5a])(NHH){1|O<1>}	N[5a](C[5a]N[5a]N)(O[5a]C[5a]){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]N)(C[5a]O[5a]O)(H)	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	110.5615	7.613	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH){4|C<3>}	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCC){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	110.8233	0.171	3	110.8233	0.029	3	110.5088	0.222	5	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCH){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	110.2440	0.000	1	110.2440	0.000	1	110.5088	0.222	5	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NN)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NN){1|C<3>,1|N<2>}	109.8300	0.000	1	109.8300	0.000	1	110.5088	0.222	5	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NMnC)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NMnC){1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|Mn<6>,2|N<2>}	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NCH){2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	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>}	108.3750	0.000	1	108.3750	0.000	1	108.8139	0.288	10	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	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>}	109.1350	0.000	1	109.2898	0.039	5	108.8139	0.288	10	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	109.3285	0.205	4	109.2898	0.039	5	108.8139	0.288	10	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH){2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	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>}	108.4430	0.000	1	108.3287	0.057	4	108.8139	0.288	10	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH){2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	108.2907	0.277	3	108.3287	0.057	4	108.8139	0.288	10	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH){2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-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])(N[5a]N[5a])	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	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>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]){1|C<3>,2|C<4>}	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>}	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	109.2186	0.911	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCH){1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	108.9980	0.000	1	108.9980	0.000	1	109.2615	0.139	2	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(COO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NCH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NCH){2|C<3>}	109.5250	0.000	1	109.5250	0.000	1	109.2615	0.139	2	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]S[5a])(CHH)	N[5a](C[5a]N[5a]C)(S[5a]C[5a])	N[5a](C[5a]S[5a]C[4])(C[5]C[5]N[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[5])(N[5a]S[5a])(CHH){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]C)(S[5a]C[5a]){2|C<3>}	N[5a](C[5a]S[5a]C[4])(C[5]C[5]N[5])(C[5a]N[5a]C){1|H<1>,4|S<2>}	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|C<3>,3|N<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]){1|N<2>,3|N<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	110.6247	0.082	3	110.6247	0.007	3	110.6247	0.007	3	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]2){2|H<1>,5|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2){1|N<2>,2|H<1>,5|C<3>}	110.1625	0.391	2	110.1625	0.153	2	110.1625	0.153	2	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH){4|C<3>}	109.3390	0.000	1	109.7655	0.364	2	109.8627	0.172	6	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH){4|C<3>}	110.1920	0.000	1	109.7655	0.364	2	109.8627	0.172	6	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]N[5a]C[6])2(NHH){4|C<3>}	110.2385	0.121	2	109.9112	0.157	4	109.8627	0.172	6	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]N[5a]C[6])2(NHH){4|C<3>}	109.5840	0.164	2	109.9112	0.157	4	109.8627	0.172	6	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|C<3>,1|N<2>}	109.9875	0.114	2	109.9923	0.007	3	110.1560	0.399	14	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	110.0020	0.000	1	109.9923	0.007	3	110.1560	0.399	14	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	110.0660	0.000	1	110.0097	0.003	3	110.1560	0.399	14	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	109.9815	0.018	2	110.0097	0.003	3	110.1560	0.399	14	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	109.7740	0.156	3	109.7740	0.024	3	110.1560	0.399	14	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHH){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NHH)	109.6145	0.036	2	109.6145	0.001	2	110.1560	0.399	14	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHN){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	110.6940	0.000	1	110.6940	0.000	1	110.1560	0.399	14	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NHN){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NHH)	111.4665	0.470	2	111.4665	0.221	2	110.1560	0.399	14	110.2595	1.264	28	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NCH){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH){2|C<3>}	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:4:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(NC[6]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(NC[6]H){1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]N)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN){1|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	108.3450	0.000	1	108.3450	0.000	1	109.4615	0.973	4	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]N[5a]C)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN){1|C<3>}	N[5a](C[5a]N[5a]C)2{1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	110.0190	0.000	1	110.0190	0.000	1	109.4615	0.973	4	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]C)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN){1|C<3>}	N[5a](C[5a]N[5a]C)2{1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	110.5170	0.000	1	109.7410	1.204	2	109.4615	0.973	4	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]C)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN){1|C<4>}	N[5a](C[5a]N[5a]C)2{1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>}	108.9650	0.000	1	109.7410	1.204	2	109.4615	0.973	4	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|N<2>,2|N<3>}	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])2	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])2{1|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){3|C<3>}	109.9620	0.308	2	109.9620	0.095	2	109.9620	0.095	2	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	110.1296	0.376	5	110.1296	0.141	5	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	110.2625	0.500	2	110.2625	0.250	2	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	111.3815	0.114	2	111.3815	0.013	2	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	110.8600	0.000	1	110.8600	0.000	1	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|S<2>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|S<2>}	110.7760	0.000	1	110.7760	0.000	1	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	110.7960	0.378	2	110.7960	0.143	2	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6]H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	109.8090	0.000	1	109.8090	0.000	1	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<2>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	111.1880	0.000	1	111.1880	0.000	1	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	110.0360	0.000	1	109.9975	0.003	2	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	109.9590	0.000	1	109.9975	0.003	2	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	110.2710	0.000	1	109.8356	0.110	5	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	109.7267	0.260	4	109.8356	0.110	5	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N){1|H<1>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	110.1020	0.079	2	110.1020	0.006	2	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	109.5180	0.000	1	109.5180	0.000	1	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	105.2360	0.000	1	105.2360	0.000	1	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|S<2>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|S<2>}	109.6680	0.149	3	109.6680	0.022	3	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	109.1145	2.181	4	109.1145	4.756	4	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHN)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHN){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	110.9730	0.000	1	110.9730	0.000	1	109.9626	1.554	34	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	110.6820	0.000	1	110.6820	0.000	1	110.6820	0.000	1	109.9546	1.383	42	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|C<4>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>}	108.9960	0.000	1	108.9960	0.000	1	109.5733	0.301	3	110.9072	2.712	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|S<2>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O){1|S<2>}	110.0880	0.000	1	110.0880	0.000	1	109.5733	0.301	3	110.9072	2.712	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCO){1|N<3>}	109.6360	0.000	1	109.6360	0.000	1	109.5733	0.301	3	110.9072	2.712	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,3|N<3>}	109.3510	0.102	2	109.3510	0.010	2	109.6437	0.448	8	110.9072	2.712	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2){1|N<3>,2|N<2>}	108.8175	0.040	2	108.8175	0.002	2	109.6437	0.448	8	110.9072	2.712	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHN)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHN){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2){1|N<3>,2|N<2>}	110.2032	0.335	4	110.2032	0.112	4	109.6437	0.448	8	110.9072	2.712	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(NHH)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(NOO){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(NHH){1|N<3>}	112.6709	0.546	8	112.6709	0.298	8	112.6709	0.298	8	110.9072	2.712	19	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]C)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CNO){1|C<2>}	N[5a](C[5a]N[5a]C)2{1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO){1|C<2>}	110.4245	0.078	2	110.4245	0.006	2	110.4245	0.006	2	112.1595	6.997	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(NOO){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|B<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH){1|N<3>}	114.7438	0.363	6	114.7438	0.132	6	114.7438	0.132	6	112.1595	6.997	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	109.0110	0.000	1	109.0110	0.000	1	110.6840	5.600	6	112.1595	6.997	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	109.0150	0.000	1	109.0150	0.000	1	110.6840	5.600	6	112.1595	6.997	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHN)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHN){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	107.7020	0.000	1	107.7020	0.000	1	110.6840	5.600	6	112.1595	6.997	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH){1|N<3>}	112.9665	0.107	2	112.9665	0.011	2	110.6840	5.600	6	112.1595	6.997	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO){1|N<3>}	N[5a](C[5a]N[5a]N)2{1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	112.4430	0.000	1	112.4430	0.000	1	110.6840	5.600	6	112.1595	6.997	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-4:	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(SC[6a]OO)	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(NHH){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|S<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(SC[6a]OO){1|H<1>}	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	112.1595	6.997	15	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	111.4960	0.962	2	111.4960	0.925	2	112.8033	0.752	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.1960	0.000	1	112.1960	0.000	1	112.8033	0.752	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	113.5820	0.215	3	113.5820	0.046	3	112.8033	0.752	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.5630	0.000	1	112.5630	0.000	1	112.8033	0.752	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]O){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	113.0847	0.417	4	113.0847	0.174	4	112.8033	0.752	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCH){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	110.5765	0.489	2	110.5765	0.239	2	111.9363	10.827	15	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCN){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	123.6820	0.000	1	123.6820	0.000	1	111.9363	10.827	15	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	110.4540	0.000	1	110.4540	0.000	1	111.9363	10.827	15	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CC[5]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CC[5]H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	110.9320	0.000	1	110.9320	0.000	1	111.9363	10.827	15	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CHN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	111.2823	0.495	10	111.2823	0.245	10	111.9363	10.827	15	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CNN){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|H<1>}	110.6960	0.601	3	110.6960	0.361	3	110.6960	0.361	3	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|F<1>,1|H<1>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|F<1>,2|C<3>,2|N<3>}	113.8208	0.040	5	114.1941	0.265	9	114.1941	0.265	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	114.4345	0.446	2	114.1941	0.265	9	114.1941	0.265	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<2>}	115.1560	0.000	1	114.1941	0.265	9	114.1941	0.265	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	114.6180	0.000	1	114.1941	0.265	9	114.1941	0.265	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<3>}	111.9675	0.039	2	110.9100	0.543	16	110.9100	0.543	16	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<3>}	110.7589	0.656	14	110.9100	0.543	16	110.9100	0.543	16	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,3|C<3>}	112.4170	0.000	1	112.4170	0.000	1	114.3125	7.186	2	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.2080	0.000	1	116.2080	0.000	1	114.3125	7.186	2	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[6]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<2>,1|H<1>,3|C<3>}	112.5740	0.000	1	112.5740	0.000	1	112.5268	1.968	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H){5|C<3>}	111.5750	0.000	1	111.5750	0.000	1	112.5268	1.968	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,4|C<3>}	113.8500	0.000	1	112.5033	2.749	6	112.5268	1.968	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,4|C<3>}	112.9513	0.653	4	112.5033	2.749	6	112.5268	1.968	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|Tb<12>,1|H<1>,1|O<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	109.3650	0.000	1	112.5033	2.749	6	112.5268	1.968	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|Mn<6>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|N<3>,3|C<3>}	113.5720	0.000	1	113.5720	0.000	1	112.5268	1.968	9	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H){5|C<3>}	111.6933	0.528	3	111.6933	0.279	3	111.4451	0.285	10	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H){5|C<3>}	111.2370	0.762	2	111.2370	0.581	2	111.4451	0.285	10	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){3|C<3>}	111.3120	0.000	1	111.4670	0.178	3	111.4451	0.285	10	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){3|C<3>}	111.5445	0.565	2	111.4670	0.178	3	111.4451	0.285	10	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2){2|H<1>,2|N<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<2>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	111.2480	0.850	2	111.2480	0.722	2	111.4451	0.285	10	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	112.4090	0.000	1	112.4090	0.000	1	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	112.6517	0.780	4	112.3534	1.607	17	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	112.3737	0.461	3	112.3534	1.607	17	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	110.3480	2.640	2	112.3534	1.607	17	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	112.1000	0.000	1	112.3534	1.607	17	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	112.7833	1.060	7	112.3534	1.607	17	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	111.6495	0.291	2	111.6495	0.084	2	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H){5|C<3>}	111.5050	0.000	1	111.5050	0.000	1	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.8720	0.000	1	111.8720	0.000	1	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.9260	0.523	23	111.9260	0.273	23	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.5095	0.228	2	112.0315	0.235	10	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){1|C<4>,4|C<3>}	111.8953	0.402	4	112.0315	0.235	10	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	112.4287	0.331	4	112.0315	0.235	10	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	111.9530	0.000	1	111.9530	0.000	1	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.8990	0.000	1	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.2953	0.496	7	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	113.3145	0.153	2	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.6300	0.429	2	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.8365	0.128	2	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	113.2340	0.000	1	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.5290	0.455	2	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	111.9220	0.532	8	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.3370	0.000	1	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.2283	0.411	26	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.5970	0.399	2	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	113.3855	0.228	2	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|F<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	114.1590	0.000	1	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Br<1>,4|C<3>}	112.9300	0.000	1	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	113.6470	0.000	1	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	112.8697	0.551	3	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.7003	0.464	43	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.5015	0.057	2	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.6830	0.000	1	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	111.8760	0.000	2	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.6970	0.000	1	112.4867	0.353	111	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	111.7040	0.000	1	112.4295	1.053	2	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	113.1550	0.000	1	112.4295	1.053	2	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<3>,2|N<3>}	111.8710	0.000	1	111.8710	0.000	1	112.3436	0.493	170	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	114.0887	0.533	3	114.0887	0.284	3	114.1014	0.453	33	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	114.2632	0.730	14	114.2632	0.533	14	114.1014	0.453	33	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	114.5984	0.156	7	114.5984	0.024	7	114.1014	0.453	33	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6]H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	113.5370	0.342	2	113.5370	0.117	2	114.1014	0.453	33	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6a]H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	113.8097	0.150	3	113.8097	0.023	3	114.1014	0.453	33	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCdC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCdC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	113.2930	0.000	1	113.2930	0.000	1	114.1014	0.453	33	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCoC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCoC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	112.8090	0.000	1	112.8090	0.000	1	114.1014	0.453	33	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NMgC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NMgC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	113.0660	0.000	1	113.0660	0.000	1	114.1014	0.453	33	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NNiC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NNiC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	113.5360	0.000	1	113.5360	0.000	1	114.1014	0.453	33	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<4>}	112.8500	0.266	2	112.8500	0.071	2	112.4656	0.367	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NCH){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	112.1527	0.012	4	112.1527	0.000	4	112.4656	0.367	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	112.3660	0.328	3	112.3660	0.107	3	112.4656	0.367	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NHH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	111.7700	0.000	1	111.7700	0.000	1	112.4656	0.367	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NOO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	113.9430	0.000	1	113.9430	0.000	1	112.4656	0.367	11	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NOO){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H){1|H<1>}	114.8979	0.223	8	114.8979	0.050	8	114.8979	0.050	8	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	116.0780	1.341	3	115.9679	0.575	8	115.9679	0.575	8	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	116.0663	0.164	3	115.9679	0.575	8	115.9679	0.575	8	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|Se<1>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	115.6550	0.342	2	115.9679	0.575	8	115.9679	0.575	8	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[6]C[6]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:S-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SCO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	114.9910	0.286	4	114.9910	0.082	4	114.9910	0.082	4	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:S-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SCO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H){1|H<1>}	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	112.6802	2.091	312	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|H<1>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	110.8792	2.866	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a,6a]N)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC)	C[5a](N[5a]C[5a,6a]N)(N[5a]C[5a,6a])(NCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC){1|H<1>,2|C<3>}	113.6960	0.000	1	113.6960	0.000	1	113.6960	0.000	1	110.8792	2.866	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NN)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NN){1|N<3>}	113.6630	0.000	1	113.6630	0.000	1	113.6630	0.000	1	110.8792	2.866	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NHH){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	110.8792	2.866	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){3|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.2285	0.305	2	110.2285	0.093	2	110.4940	0.630	6	110.8792	2.866	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){3|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	111.4320	0.000	2	111.4320	0.000	2	110.4940	0.630	6	110.8792	2.866	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	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>}	110.1770	0.000	1	110.1770	0.000	1	110.4940	0.630	6	110.8792	2.866	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH){3|N<2>}	N[5a](C[5a]N[5a]N)2{1|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){3|N<2>}	109.4660	0.000	1	109.4660	0.000	1	110.4940	0.630	6	110.8792	2.866	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[5a]N){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	109.6510	0.000	1	109.6510	0.000	1	109.2400	0.338	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[6a]N){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B){1|C<3>,1|H<1>}	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>}	108.8290	0.000	1	108.8290	0.000	1	109.2400	0.338	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,2|C<3>}	113.1390	0.000	1	113.1390	0.000	1	113.3530	0.092	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,2|C<3>}	113.5670	0.000	1	113.5670	0.000	1	113.3530	0.092	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){4|C<3>}	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>}	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	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[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	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>}	112.2360	0.000	1	112.2360	0.000	1	112.2360	0.000	1	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(CHO){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,5|C<3>}	112.1180	0.173	2	112.1180	0.030	2	112.1180	0.030	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,3|H<1>}	111.1450	0.340	8	111.1450	0.116	8	111.1821	0.098	10	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]O){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,3|H<1>}	111.4130	0.000	1	111.4130	0.000	1	111.1821	0.098	10	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	111.2480	0.000	1	111.2480	0.000	1	111.1821	0.098	10	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-3:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCH)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCH){1|O<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Br<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	113.4158	0.264	4	113.4158	0.070	4	113.4158	0.070	4	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	111.9125	0.547	2	111.9125	0.299	2	111.9125	0.299	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	112.5130	0.066	2	112.5130	0.004	2	112.5130	0.004	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	110.7220	0.000	1	112.0373	0.188	54	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	112.2600	0.414	3	112.0373	0.188	54	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	112.0503	0.398	50	112.0373	0.188	54	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	112.2375	0.553	4	112.7560	0.229	47	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	113.4075	0.151	4	112.7560	0.229	47	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	112.2800	0.000	1	112.7560	0.229	47	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	113.2680	0.000	1	112.7560	0.229	47	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	112.6952	0.388	34	112.7560	0.229	47	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,5|C<3>}	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>}	112.7450	0.000	1	112.7560	0.229	47	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	113.5105	0.275	2	112.7560	0.229	47	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	112.4202	0.165	5	112.4655	0.034	6	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	112.6920	0.000	1	112.4655	0.034	6	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	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>}	113.4090	0.000	1	112.6993	0.396	3	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|N<2>,3|C<3>}	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>}	112.3445	0.189	2	112.6993	0.396	3	112.3858	0.320	110	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO){1|H<1>,2|C<3>}	113.2680	0.000	1	113.2680	0.000	1	113.2680	0.000	1	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NC[5]H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	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>}	113.6460	0.021	2	113.6460	0.000	2	113.6460	0.000	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NHH){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){2|C<3>}	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>}	112.4180	0.042	2	112.4180	0.002	2	113.1790	0.784	4	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NOO){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|C<3>,3|N<3>}	113.9400	0.187	2	113.9400	0.035	2	113.1790	0.784	4	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NCH)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NCH){1|N<3>}	112.6100	0.000	1	112.6100	0.000	1	112.8480	0.113	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(NHH){1|N<3>}	113.0860	0.000	1	113.0860	0.000	1	112.8480	0.113	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5,5a]N)(N[5a]N[5,5a])(NHH)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5,5a]N)(N[5a]N[5,5a])(NHH){1|C<3>,1|N<2>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N){1|N<2>,3|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]N)(NHH){1|C<3>,1|N<3>}	113.1680	0.000	1	113.7070	0.581	2	113.7070	0.581	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5,5a]N)(N[5a]N[5,5a])(NHH)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5,5a]N)(N[5a]N[5,5a])(NHH){1|C<3>,1|N<2>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N){2|N<2>,2|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]N)(NHH){1|C<3>,1|N<3>}	114.2460	0.000	1	113.7070	0.581	2	113.7070	0.581	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a,5a]N)(N[5a]N[5a,5a])(NHH)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a,5a]N)(N[5a]N[5a,5a])(NHH){1|C<3>,1|N<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N){2|N<2>,2|N<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N)(NHH){1|C<3>,1|N<2>}	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:N-3:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NC[6a]H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NC[6a]H){1|N<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|N<2>,1|O<1>,2|C<3>}	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>}	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[5a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[5a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CCH){1|H<1>}	111.2180	0.136	3	111.2180	0.019	3	111.2180	0.019	3	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCC){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	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>}	110.1710	0.000	1	110.1710	0.000	1	110.2849	0.234	7	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	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>}	110.2960	0.000	1	110.2960	0.000	1	110.2849	0.234	7	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	110.3054	0.590	5	110.3054	0.348	5	110.2849	0.234	7	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-3:	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PCC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2){1|H<1>}	110.4440	0.000	1	110.4440	0.000	1	111.0245	0.674	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-3:	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC){1|H<1>}	111.6050	0.000	1	111.6050	0.000	1	111.0245	0.674	2	112.2322	0.818	163	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	112.7338	0.514	4	112.7338	0.264	4	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	112.9360	0.000	1	112.9360	0.000	1	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<1>,2|N<3>}	112.3390	0.000	1	112.3390	0.000	1	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,2|C<3>}	112.0010	0.000	1	112.0010	0.000	1	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	111.9370	0.000	1	111.9370	0.000	1	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	113.2310	0.000	1	113.2310	0.000	1	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	112.9105	0.144	2	112.9105	0.021	2	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	112.6810	0.000	1	112.6810	0.000	1	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CNO){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	113.3210	0.000	1	113.3210	0.000	1	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	112.9430	0.037	2	112.9430	0.001	2	112.7392	0.209	15	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	110.6390	0.000	1	110.6390	0.000	1	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	110.9090	0.102	2	110.9090	0.010	2	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	111.5630	0.000	1	111.5630	0.000	1	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	111.6840	0.000	1	111.6840	0.000	1	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	111.1135	0.012	2	111.1135	0.000	2	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	108.4725	3.709	2	108.4725	13.755	2	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|H<1>}	111.7385	0.500	2	111.7385	0.250	2	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.3514	0.347	14	111.3514	0.121	14	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[3]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[3]O){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	112.2805	1.168	4	112.2805	1.363	4	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]O){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|H<1>}	111.5260	0.000	1	111.5260	0.000	1	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	111.8658	0.058	4	111.8658	0.003	4	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.7210	0.000	1	111.7210	0.000	1	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	110.4890	0.000	1	110.4890	0.000	1	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.4600	0.000	1	111.4600	0.000	1	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	110.9478	0.375	13	110.9478	0.141	13	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	112.4893	0.230	3	112.4893	0.053	3	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CNO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.5466	0.245	7	111.5466	0.060	7	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5]O){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.3120	0.215	2	111.3120	0.046	2	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.7900	0.000	1	111.7900	0.000	1	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	111.9140	0.000	1	111.9140	0.000	1	111.3437	0.828	64	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,4|C<3>}	112.3290	0.000	1	112.3290	0.000	1	113.1738	0.460	13	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	112.5310	0.000	1	112.9174	0.150	5	113.1738	0.460	13	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	113.0140	0.370	4	112.9174	0.150	5	113.1738	0.460	13	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	112.5940	0.614	2	113.4808	0.757	5	113.1738	0.460	13	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	114.0720	0.119	3	113.4808	0.757	5	113.1738	0.460	13	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	113.1430	0.000	1	113.1430	0.000	1	113.1738	0.460	13	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,3|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	113.7960	0.000	1	113.7960	0.000	1	113.1738	0.460	13	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[5a]C[5a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	112.3930	0.202	2	112.3930	0.041	2	112.3930	0.041	2	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH){1|H<1>,4|C<3>}	113.9880	0.000	1	113.9880	0.000	1	113.4140	1.001	3	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	112.2590	0.000	1	113.1270	1.507	2	113.4140	1.001	3	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	113.9950	0.000	1	113.1270	1.507	2	113.4140	1.001	3	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){2|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2){2|C<4>,7|C<3>}	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	113.2990	0.076	2	113.2990	0.006	2	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	112.2310	0.000	1	112.2310	0.000	1	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	112.6157	0.538	3	112.6157	0.290	3	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	112.7860	0.160	2	112.7860	0.026	2	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	112.9580	0.000	1	113.2703	0.195	3	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	113.4265	0.494	2	113.2703	0.195	3	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,4|C<3>}	113.3335	0.074	2	113.3335	0.006	2	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	112.4225	0.674	4	112.8556	0.261	31	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	113.0320	0.396	2	112.8556	0.261	31	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	113.3685	0.037	2	112.8556	0.261	31	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	112.8710	0.475	23	112.8556	0.261	31	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS){1|H<1>,4|C<3>}	113.2900	0.000	1	113.2900	0.000	1	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	113.0748	0.522	5	113.0748	0.273	5	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){1|H<1>,4|C<3>}	112.8190	0.000	1	112.8190	0.000	1	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	113.4670	0.000	1	112.6357	0.594	34	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	112.5024	0.756	7	112.6357	0.594	34	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	112.6396	0.784	26	112.6357	0.594	34	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	113.7300	0.000	1	112.7706	0.218	16	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	113.1950	0.129	2	112.7706	0.218	16	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	112.7010	0.256	2	112.7706	0.218	16	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	112.3543	0.030	3	112.7706	0.218	16	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	112.3917	0.237	3	112.7706	0.218	16	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	112.9138	0.427	5	112.7706	0.218	16	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH){4|C<3>}	112.6120	0.000	1	112.6120	0.000	1	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	113.0976	0.199	5	113.0976	0.040	5	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){4|C<3>}	112.3837	0.446	3	112.3837	0.199	3	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){4|C<3>}	113.1290	0.000	1	113.1290	0.000	1	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3){4|C<3>}	113.1680	0.223	3	113.1680	0.050	3	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	112.7190	0.000	1	112.7190	0.000	1	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,2|C<3>,2|N<2>}	113.2190	0.086	2	113.2190	0.007	2	112.8181	0.337	117	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H){1|H<1>,4|C<4>,5|C<3>}	114.2630	0.000	1	114.2630	0.000	1	113.0231	0.357	18	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(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])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	112.3290	0.000	1	112.9502	0.277	17	113.0231	0.357	18	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(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])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	112.9890	0.518	16	112.9502	0.277	17	113.0231	0.357	18	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){1|H<1>,4|C<3>}	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	112.9680	0.000	1	112.9680	0.000	1	113.2990	0.064	6	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH){1|H<1>,2|C<3>}	113.6520	0.000	1	113.6520	0.000	1	113.2990	0.064	6	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	113.3780	0.150	2	113.3780	0.022	2	113.2990	0.064	6	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	113.2090	0.192	2	113.2090	0.037	2	113.2990	0.064	6	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO)	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(NHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO){1|H<1>,2|C<3>}	113.4150	0.000	1	113.4150	0.000	1	113.4150	0.000	1	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(NHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){1|H<1>,2|C<3>}	112.3170	0.318	2	112.3170	0.101	2	112.3170	0.101	2	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|C<4>,2|C<3>}	112.5130	0.000	1	112.5130	0.000	1	113.8207	0.639	11	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	112.7590	0.109	2	112.7590	0.012	2	113.8207	0.639	11	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	114.2123	0.380	7	114.2123	0.144	7	113.8207	0.639	11	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN){1|N<3>}	114.5110	0.000	1	114.5110	0.000	1	113.8207	0.639	11	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|C<4>}	114.7860	0.000	1	114.7860	0.000	1	114.9000	0.026	2	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CHHN){1|H<1>}	115.0140	0.000	1	115.0140	0.000	1	114.9000	0.026	2	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H)	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2){1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	113.6410	0.000	1	113.6410	0.000	1	113.6410	0.000	1	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[5a]C[5a]2){6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH){1|H<1>,4|C<3>}	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH){1|H<1>,2|C<3>,2|C<4>}	113.9985	0.252	2	113.9985	0.064	2	113.9985	0.064	2	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH){1|H<1>}	110.6900	0.000	1	110.6900	0.000	1	110.6660	0.002	3	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	110.6540	0.061	2	110.6540	0.004	2	110.6660	0.002	3	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SCO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SCO)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SCO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3){3|C<3>}	112.9960	0.000	1	112.9960	0.000	1	112.2943	0.372	3	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:S-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRh2)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRh2){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|C<4>}	111.9435	0.076	2	111.9435	0.006	2	112.2943	0.372	3	112.5484	1.110	268	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	114.5090	9.804	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(NOO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	114.5090	9.804	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	4:3:2:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	107.3630	0.000	1	107.3630	0.000	1	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	107.6683	0.325	4	107.6683	0.105	4	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	107.7190	0.000	1	107.7190	0.000	1	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	107.7658	0.298	5	107.7658	0.089	5	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	108.2270	0.079	2	108.2270	0.006	2	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	107.7132	0.370	6	107.7132	0.137	6	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	108.1575	1.037	2	108.1575	1.076	2	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	109.7108	1.519	5	109.7108	2.308	5	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	109.1313	0.122	3	109.1313	0.015	3	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHS)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHS)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	108.4890	0.000	1	108.4890	0.000	1	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	108.4400	0.720	2	108.4400	0.518	2	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	108.7727	0.030	3	108.7727	0.001	3	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	109.5233	2.366	3	109.5233	5.597	3	108.4168	1.257	38	108.4168	1.257	38	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|N<2>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	109.7960	0.000	1	109.7960	0.000	1	108.0797	2.210	3	108.0797	2.210	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|N<2>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	107.2215	0.022	2	107.2215	0.000	2	108.0797	2.210	3	108.0797	2.210	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NHH)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NHH)	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|B<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	108.1300	0.000	1	108.1300	0.000	1	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	107.8800	0.472	2	107.8800	0.223	2	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	108.1635	0.693	4	108.1635	0.480	4	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	108.0890	0.000	1	108.0890	0.000	1	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	108.5700	0.290	3	108.5700	0.084	3	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	108.7120	0.000	1	108.7120	0.000	1	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	108.8240	0.000	1	108.8240	0.000	1	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	108.7860	0.000	1	108.7860	0.000	1	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	109.1670	0.000	1	109.1670	0.000	1	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	108.2660	0.000	1	108.2660	0.000	1	108.3811	0.259	16	108.5138	0.542	17	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)2(NH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHO){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]C)2(NH)	109.4665	0.046	2	109.4665	0.002	2	109.2965	0.039	4	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)2(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]C)2(NC)	109.1265	0.006	2	109.1265	0.000	2	109.2965	0.039	4	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN){2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	108.6305	0.421	2	108.6305	0.177	2	108.6693	0.169	6	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH){2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	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>}	109.0180	0.161	2	109.0180	0.026	2	108.6693	0.169	6	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	108.6800	0.000	1	108.3595	0.205	2	108.6693	0.169	6	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	108.0390	0.000	1	108.3595	0.205	2	108.6693	0.169	6	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SBOO)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SBOO){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	108.3340	0.000	1	108.3340	0.000	1	109.8132	0.512	12	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	110.0680	0.000	1	110.0019	0.325	10	109.8132	0.512	12	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	109.9946	0.604	9	110.0019	0.325	10	109.8132	0.512	12	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:2:	N[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[5]OO)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[5]OO){2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	109.4060	0.000	1	109.4060	0.000	1	109.8132	0.512	12	109.4073	0.566	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.5050	0.209	2	110.5050	0.044	2	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	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>}	110.4400	0.000	1	110.4400	0.000	1	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|O<2>}	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>}	111.3360	0.000	1	111.3360	0.000	1	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|S<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|S<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	110.6940	0.000	1	110.6940	0.000	1	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<2>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	109.7510	0.000	1	109.7510	0.000	1	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<3>}	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>}	110.7705	0.592	2	110.4343	0.514	3	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.7620	0.000	1	110.4343	0.514	3	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	108.8917	0.154	3	108.8917	0.024	3	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){3|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	111.0740	0.000	1	111.0740	0.000	1	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO){3|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	109.7400	0.000	1	109.7400	0.000	1	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO){1|S<2>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	110.2968	0.101	4	110.2968	0.010	4	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|S<2>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	110.4090	0.460	2	110.4090	0.211	2	110.2014	0.513	20	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)2(NHH)	109.3756	0.124	8	109.3756	0.015	8	109.3510	0.096	25	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NHH)	109.9860	0.030	2	109.9860	0.001	2	109.3510	0.096	25	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)2(NHH)	109.1975	0.203	2	109.1975	0.041	2	109.3510	0.096	25	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	109.4320	0.267	2	109.4320	0.071	2	109.3510	0.096	25	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)2(NHH)	109.2132	0.259	5	109.2132	0.067	5	109.3510	0.096	25	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHN){1|S<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|N<3>,1|S<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	109.9670	0.000	1	109.9670	0.000	1	109.3510	0.096	25	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)2(NHH)	109.0798	0.223	4	109.0798	0.050	4	109.3510	0.096	25	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CN[5a]HH){1|S<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|N<3>,1|S<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(NHH)	109.1880	0.000	1	109.1880	0.000	1	109.3510	0.096	25	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	108.6770	0.394	4	108.6770	0.155	4	108.8012	0.136	6	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	109.0495	0.168	2	109.0495	0.028	2	108.8012	0.136	6	109.6198	0.506	51	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)2(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]N[5a]C)2(CH3)	109.9280	0.091	2	109.9280	0.008	2	110.2453	0.306	3	110.2262	0.206	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CHHO){1|S<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|S<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CCHH)	110.8800	0.000	1	110.8800	0.000	1	110.2453	0.306	3	110.2262	0.206	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	110.1690	0.000	1	110.1690	0.000	1	110.1690	0.000	1	110.2262	0.206	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:4:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,2|C<4>,3|H<1>}	108.9250	0.000	1	108.6030	0.207	2	108.3937	0.235	3	108.3937	0.235	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:4:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	108.2810	0.000	1	108.6030	0.207	2	108.3937	0.235	3	108.3937	0.235	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	3:4:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH){1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	107.9750	0.000	1	107.9750	0.000	1	108.3937	0.235	3	108.3937	0.235	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	6:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	B[5x3,4,9x5,6,6]-6:C[5a]-3:N[5a]-2:	C[5a](N[5a]B[5x3,4,9x5,6,6]N[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]B[5x3,4,9x5,6,6]N[5a])(N[5a]N[5a])(CC3){1|B<5>,4|B<6>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|B<6>}	N[5a](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5a]N[5a]C)(N[5a]N[5a]){1|B<5>,3|B<6>,5|H<1>}	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	109.5350	0.947	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:2:	6:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:	Si[5]-6:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Si[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Si[5])(N[5a]N[5a])(CH3){2|N<2>,3|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Si<6>}	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>}	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	109.5350	0.947	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	110.0140	0.000	1	110.0140	0.000	1	109.5331	0.078	9	109.5331	0.078	9	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	109.2860	0.124	2	109.2860	0.015	2	109.5331	0.078	9	109.5331	0.078	9	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	109.4110	0.321	2	109.4110	0.103	2	109.5331	0.078	9	109.5331	0.078	9	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|S<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	109.5670	0.000	1	109.5670	0.000	1	109.5331	0.078	9	109.5331	0.078	9	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<4>}	N[5a](C[5a]N[5a]C)2{1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>}	109.5980	0.000	1	109.5980	0.000	1	109.5331	0.078	9	109.5331	0.078	9	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|N<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	109.6125	0.325	2	109.6125	0.105	2	109.5331	0.078	9	109.5331	0.078	9	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	N[5a](C[5a]N[5a]C)2{1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN){1|C<4>}	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|B<4>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>}	111.2500	0.000	1	111.2500	0.000	1	110.8533	0.090	4	109.9711	0.512	12	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<4>}	N[5a](C[5a]N[5a]C)2{1|B<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>}	110.7210	0.174	3	110.7210	0.030	3	110.8533	0.090	4	109.9711	0.512	12	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Cu)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Cu){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P){1|C<4>}	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH){1|H<1>}	109.8105	0.627	2	109.8105	0.393	2	109.5300	0.100	8	109.9711	0.512	12	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Pd)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Pd){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P){1|C<4>}	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	109.5470	0.209	2	109.5470	0.044	2	109.5300	0.100	8	109.9711	0.512	12	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Ru)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Ru){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P){1|C<4>}	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	109.3812	0.066	4	109.3812	0.004	4	109.5300	0.100	8	109.9711	0.512	12	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(CCHH){2|C<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|H<1>,2|C<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<2>,1|C<3>}	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	111.6665	1.341	2	112.1044	2.333	19	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	112.0680	0.000	1	112.1044	2.333	19	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.1614	1.628	16	112.1044	2.333	19	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.5120	0.235	2	112.5120	0.055	2	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.7644	0.530	33	112.7644	0.281	33	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	114.2230	0.000	1	114.2230	0.000	1	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	113.2838	0.534	6	113.2838	0.285	6	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H){1|N<2>,2|C<3>}	114.7560	0.158	3	114.7560	0.025	3	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	114.3070	0.000	1	114.3070	0.000	1	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.8580	0.270	2	112.4682	1.515	9	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.3569	1.394	7	112.4682	1.515	9	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.5471	1.196	31	112.5471	1.431	31	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	113.9450	0.000	1	113.9450	0.000	1	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	113.5020	0.567	7	113.5020	0.322	7	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHS){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	113.1390	0.000	1	113.1390	0.000	1	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.3190	1.108	3	112.3190	1.228	3	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	114.2790	0.000	1	114.2790	0.000	1	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	113.2258	0.809	4	113.2258	0.654	4	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[6]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	113.2690	0.000	1	113.2690	0.000	1	112.7554	1.245	123	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	111.0610	0.241	3	111.0610	0.058	3	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|P<4>}	109.9480	0.000	1	109.9480	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	110.8270	0.000	1	110.8270	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cl<1>}	111.2562	0.166	4	111.2562	0.028	4	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	111.9495	0.320	2	111.9495	0.103	2	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CF3){2|C<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<2>}	113.7460	0.000	1	113.7460	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>}	111.0813	0.352	3	111.0813	0.124	3	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	110.7410	0.000	1	110.7410	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	111.2430	0.288	2	111.2430	0.083	2	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	111.4740	0.000	1	111.4740	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	111.2980	0.283	2	111.2980	0.080	2	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	111.1373	0.290	3	111.1373	0.084	3	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|H<1>}	111.3370	0.000	1	111.3370	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	111.1110	0.000	1	111.1110	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	109.2800	1.650	7	109.2800	2.721	7	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|H<1>}	111.4720	0.000	1	111.4720	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|N<3>}	111.4920	0.000	1	111.4920	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|N<3>}	110.9865	0.412	2	111.0743	0.108	3	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|N<3>}	111.2500	0.000	1	111.0743	0.108	3	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|N<3>}	112.1910	0.187	2	112.1910	0.035	2	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|N<3>,2|C<3>}	111.5420	0.000	1	111.5420	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6]HH){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	111.5780	0.000	1	111.5780	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	111.2580	0.000	1	111.2580	0.000	1	110.9985	1.279	43	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CN[6]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|H<1>}	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:D-1:	C[5a](N[5a]C[5,5a]D)(N[5a]N[5,5a])(CH3)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]C)(D)	C[5a](N[5a]C[5,5a]D)(N[5a]N[5,5a])(CH3){1|C<3>,1|N<2>}	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>}	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]C)(D){1|C<3>,1|N<3>}	114.0910	0.000	1	114.0910	0.000	1	114.0910	0.000	1	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5,5a]H)(N[5a]N[5,5a])(CH3)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5,5a]H)(N[5a]N[5,5a])(CH3){1|C<3>,1|N<2>}	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>}	N[5a](C[5,5a]N[5,5a]N[5])(C[5a]N[5a]C)(H){1|C<3>,1|N<3>}	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>}	111.8830	0.640	3	111.8830	0.410	3	111.8830	0.410	3	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[3]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3]){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H){2|C<3>,2|C<4>,2|H<1>}	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[4]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[4]C[4]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4]){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H){2|C<3>,2|C<4>,2|H<1>}	112.3237	0.314	3	112.3237	0.098	3	112.3237	0.098	3	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]C[5]2Fe)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<4>,3|C<3>}	112.8120	0.000	1	112.8120	0.000	1	113.0285	0.094	2	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]C[5]2Fe)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]C[5]2Fe){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<2>,2|C<4>}	113.2450	0.000	1	113.2450	0.000	1	113.0285	0.094	2	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2O){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PC[6a]2Ir)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PC[6a]2Ir){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>}	111.9090	0.000	1	111.9090	0.000	1	111.1304	0.317	10	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PIrCC)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PIrCC){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(H){1|C<4>}	110.7450	0.000	1	110.7450	0.000	1	111.1304	0.317	10	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PIrCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PIrCC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>}	110.7980	0.319	3	110.7980	0.101	3	111.1304	0.317	10	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PPtCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PPtCC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>}	111.2512	0.611	5	111.2512	0.374	5	111.1304	0.317	10	112.2346	1.834	190	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|S<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){3|C<3>}	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	108.9345	0.090	2	108.9345	0.008	2	108.9345	0.008	2	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>}	112.0850	0.000	1	112.0850	0.000	1	111.5148	0.265	10	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|H<1>}	111.2310	0.099	2	111.2310	0.010	2	111.5148	0.265	10	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>}	112.1930	0.000	1	112.1930	0.000	1	111.5148	0.265	10	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|H<1>}	111.1000	0.496	2	111.1000	0.246	2	111.5148	0.265	10	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>}	111.9230	0.532	2	111.9230	0.283	2	111.5148	0.265	10	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|H<1>}	111.1810	0.021	2	111.1810	0.000	2	111.5148	0.265	10	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](N[5a]C[5a]O)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OH)	C[5a](N[5a]C[5a]O)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|O<1>,1|O<2>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OH){1|H<1>}	109.8450	0.000	1	109.8450	0.000	1	109.8450	0.000	1	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:2:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>}	111.7535	0.173	2	111.7535	0.030	2	111.7535	0.030	2	110.9770	1.272	16	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN){1|H<1>,2|C<3>}	112.1815	0.155	2	112.1815	0.024	2	112.2805	0.021	4	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNN){1|H<1>,2|C<3>}	112.3795	0.029	2	112.3795	0.001	2	112.2805	0.021	4	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3){1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	112.8600	0.000	1	112.8600	0.000	1	112.8600	0.000	1	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|F<1>,3|C<3>}	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>}	112.4170	0.000	1	112.4170	0.000	1	112.5665	0.124	4	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	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>}	113.0120	0.000	1	112.8310	0.066	2	112.5665	0.124	4	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	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>}	112.6500	0.000	1	112.8310	0.066	2	112.5665	0.124	4	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	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>}	112.1870	0.000	1	112.1870	0.000	1	112.5665	0.124	4	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PN[5a]2)	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(CHHN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|P<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PN[5a]2){1|H<1>,2|C<3>}	114.0798	0.253	6	114.0798	0.064	6	114.0798	0.064	6	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	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[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	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>}	114.2495	0.339	2	114.2495	0.115	2	114.2495	0.115	2	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CNN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CNN){1|C<4>}	110.9002	0.129	5	110.9002	0.017	5	110.9931	0.108	14	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|H<1>}	110.2780	0.000	1	110.2780	0.000	1	110.9931	0.108	14	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNN){1|H<1>}	111.3710	0.000	1	111.3710	0.000	1	110.9931	0.108	14	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){1|H<1>}	110.9657	0.159	3	110.9657	0.025	3	110.9931	0.108	14	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CHH){1|H<1>}	111.2690	0.000	1	111.2690	0.000	1	110.9931	0.108	14	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCH){1|H<1>}	111.1957	0.440	3	111.1957	0.193	3	110.9931	0.108	14	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	110.1590	0.000	1	110.1590	0.000	1	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	110.5110	0.000	1	110.5110	0.000	1	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Br<1>,1|C<3>}	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>}	111.0987	0.290	7	111.0987	0.084	7	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<2>,1|C<3>}	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>}	111.3400	0.195	2	111.3253	0.020	3	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){2|C<3>}	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>}	111.2960	0.000	1	111.3253	0.020	3	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|H<1>}	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>}	111.1750	0.000	1	111.1639	0.092	17	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|H<1>}	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>}	111.3475	0.173	10	111.1639	0.092	17	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|H<1>}	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>}	110.8562	0.246	6	111.1639	0.092	17	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|N<3>}	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>}	111.7720	0.000	1	111.7720	0.000	1	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|O<2>}	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>}	111.1990	0.000	1	111.1990	0.000	1	111.1321	0.130	31	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	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>}	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	111.0900	0.252	4	111.0900	0.064	4	111.4243	0.336	6	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	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>}	111.8220	0.000	1	111.8220	0.000	1	111.4243	0.336	6	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	112.3640	0.000	1	112.3640	0.000	1	111.4243	0.336	6	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCCH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCCH){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH){1|C<3>}	111.6433	0.139	3	111.6433	0.019	3	111.0673	0.341	8	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|H<1>}	110.7407	0.585	3	110.7407	0.342	3	111.0673	0.341	8	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH){1|H<1>}	110.8830	0.000	1	110.8830	0.000	1	111.0673	0.341	8	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|H<1>}	110.5030	0.000	1	110.5030	0.000	1	111.0673	0.341	8	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|C<4>}	109.7940	1.131	3	109.7940	1.280	3	109.7302	0.648	5	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|H<1>}	109.6345	0.026	2	109.6345	0.001	2	109.7302	0.648	5	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3)	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3){1|Cl<1>,3|C<3>}	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C){1|Cl<1>,3|C<3>}	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<4>,3|C<3>}	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH){1|C<3>}	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	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>}	111.0260	0.000	1	111.0260	0.000	1	110.4215	3.178	12	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCHO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	111.3100	0.000	1	111.3100	0.000	1	110.4215	3.178	12	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]2Pd){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<3>,1|C<4>}	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>}	109.7150	0.000	1	109.7150	0.000	1	110.4215	3.178	12	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6]2Pd){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	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>}	111.2770	0.000	1	111.2770	0.000	1	110.4215	3.178	12	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2C){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	111.1080	0.000	1	111.1080	0.000	1	110.4215	3.178	12	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Ir){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	110.8780	0.000	1	110.8780	0.000	1	110.4215	3.178	12	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Pd){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	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>}	111.6975	0.564	2	111.6975	0.318	2	110.4215	3.178	12	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PPdCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	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>}	108.3970	2.772	2	109.0872	7.067	4	110.4215	3.178	12	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PPdCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	109.7775	3.408	2	109.0872	7.067	4	110.4215	3.178	12	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-3:	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC){1|H<1>}	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	111.3233	1.600	98	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	113.5080	0.000	1	113.5080	0.000	1	112.6193	0.251	6	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	112.3053	0.196	3	112.3053	0.038	3	112.6193	0.251	6	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	112.6460	0.304	2	112.6460	0.092	2	112.6193	0.251	6	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	112.4320	0.000	1	112.4320	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	113.0140	0.174	6	113.0140	0.030	6	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	113.0960	0.626	2	112.5987	0.938	3	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	111.6040	0.000	1	112.5987	0.938	3	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	113.3080	0.000	1	113.3080	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<1>,2|N<3>}	112.3120	0.000	1	112.3120	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	113.3026	0.645	5	113.3026	0.415	5	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	113.7190	0.000	1	113.7190	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	113.1515	0.069	2	113.1515	0.005	2	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	113.6250	0.000	1	113.6250	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	113.7040	0.000	1	113.7040	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	113.2770	0.000	1	113.2770	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	112.8030	0.000	1	112.8030	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,2|C<3>}	112.9590	0.000	1	112.9590	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<2>,2|C<3>}	113.6280	0.000	1	113.6280	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	112.7075	0.603	2	112.7075	0.364	2	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	112.1630	0.466	7	112.1630	0.217	7	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	112.6737	0.847	6	112.6737	0.718	6	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	112.8990	0.612	5	112.8990	0.374	5	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	112.1680	0.000	1	112.1680	0.000	1	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	112.8485	0.018	2	112.8485	0.000	2	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	113.5740	0.247	2	113.5740	0.061	2	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	113.8610	0.212	2	113.6667	0.136	3	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	113.2780	0.000	1	113.6667	0.136	3	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	113.6885	0.336	2	113.6885	0.113	2	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	112.4755	0.839	2	112.4755	0.704	2	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	112.9815	0.348	4	112.9815	0.121	4	112.9326	0.418	62	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-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)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(CH3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3){1|H<1>}	111.4710	0.976	2	111.4710	0.952	2	111.4710	0.952	2	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCCH){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	110.8950	0.000	1	110.8950	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	112.1837	0.123	3	111.7160	0.885	4	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	110.3130	0.000	1	111.7160	0.885	4	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	110.5050	0.000	1	110.5050	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	113.1300	0.000	1	113.1300	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|S<2>}	111.5650	0.000	1	111.5650	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	110.9055	0.371	2	110.9055	0.138	2	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	111.6625	0.442	4	111.6625	0.195	4	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.2910	0.000	1	111.2910	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	109.6600	0.547	4	109.6600	0.300	4	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	111.2180	0.000	1	111.2180	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.2890	0.000	1	111.2890	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|C<4>}	111.8480	0.000	1	111.8480	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	107.2060	0.000	1	107.2060	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	111.3110	0.124	2	111.3110	0.015	2	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	107.6230	0.000	1	107.6230	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	111.4700	0.000	1	111.4700	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	110.8910	0.116	2	110.8910	0.013	2	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	109.1303	1.897	3	109.1303	3.599	3	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	110.1520	0.000	1	110.1520	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	111.6245	0.540	42	111.6245	0.292	42	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	111.6295	0.722	2	111.6295	0.521	2	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	111.7500	0.312	3	111.7500	0.097	3	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3){1|N<3>}	111.9110	0.000	1	111.9110	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	111.1621	0.470	8	111.1621	0.221	8	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|N<3>}	111.9880	0.000	1	111.9880	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3){1|N<3>,2|C<4>}	111.8372	0.147	4	111.8372	0.022	4	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|N<3>,1|S<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3){1|N<3>}	112.4780	0.000	1	112.4780	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	111.8450	0.000	1	111.8450	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	111.6540	0.598	2	111.6540	0.358	2	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.3028	0.248	4	111.3028	0.061	4	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	111.2820	0.856	2	111.2820	0.732	2	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.2439	0.441	10	111.2439	0.195	10	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	112.5775	0.152	2	112.5775	0.023	2	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	112.5250	0.000	1	112.5250	0.000	1	111.3398	0.911	117	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(SNOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(CCHH){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(SNOO){1|H<1>}	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCCH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCCH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	111.1540	0.000	1	111.1540	0.000	1	111.4626	0.125	16	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	111.3897	0.316	11	111.3897	0.100	11	111.4626	0.125	16	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	111.7930	0.000	1	111.7930	0.000	1	111.4626	0.125	16	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	111.5840	0.550	2	111.5840	0.303	2	111.4626	0.125	16	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|H<1>}	112.0000	0.000	1	112.0000	0.000	1	111.4626	0.125	16	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	112.8870	0.000	1	112.8870	0.000	1	111.6960	0.925	4	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|C<3>}	112.0490	0.000	1	112.0490	0.000	1	111.6960	0.925	4	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CFFH){1|C<3>}	110.9240	0.202	2	110.9240	0.041	2	111.6960	0.925	4	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO)	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,1|S<4>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO){1|C<3>}	110.6780	0.044	2	110.6780	0.002	2	110.6780	0.002	2	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]C[5]2Fe)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]C[5]2Fe){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	112.4630	0.000	1	112.4630	0.000	1	113.0260	0.634	2	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	113.5890	0.000	1	113.5890	0.000	1	113.0260	0.634	2	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	112.3445	0.847	4	112.3445	0.718	4	112.3445	0.718	4	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(PC[6a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(PC[6a]2H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,2|C<3>}	112.6220	0.000	1	112.6220	0.000	1	112.6220	0.000	1	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2O){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3){1|H<1>}	110.9170	0.000	1	110.9170	0.000	1	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pd)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pd){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	111.2315	0.077	2	111.2315	0.006	2	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pt)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pt){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	111.1780	0.175	2	111.1780	0.031	2	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Ru)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Ru){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	110.7345	0.204	2	110.7345	0.042	2	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2S){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3){1|H<1>}	111.4840	0.000	1	111.4840	0.000	1	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3){1|H<1>}	111.7860	0.000	1	111.7860	0.000	1	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	111.2635	0.028	2	111.2635	0.001	2	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>}	110.8325	0.393	6	110.8325	0.154	6	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|H<1>}	110.3470	0.198	2	110.3470	0.039	2	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PRuCC)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PRuCC){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>}	110.6950	0.478	2	110.6950	0.228	2	110.9562	0.180	21	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PPdCC)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC3){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PPdCC){1|H<1>}	111.7090	0.328	2	111.7090	0.108	2	111.8017	0.254	6	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2Pd)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PPdCC)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2Pd){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PPdCC){1|H<1>}	112.7370	0.000	1	112.7370	0.000	1	111.8017	0.254	6	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PPdCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2Pd)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PPdCC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2Pd){1|H<1>}	111.5055	0.264	2	111.5055	0.070	2	111.8017	0.254	6	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PPdCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]PdC)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PPdCC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]PdC){1|H<1>}	111.6440	0.000	1	111.6440	0.000	1	111.8017	0.254	6	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:Si-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SiC3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH){1|H<1>,2|C<3>}	111.4537	0.543	6	111.4537	0.295	6	111.4537	0.295	6	111.7844	1.142	251	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	8:3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:	Nb[3x3]-8:C[5a]-3:N[5a]-2:	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)2	N[5a](Nb[3x3]N[3,5]6N[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3){1|C<4>,7|N<3>}	N[5a](C[5a]N[5a]C)2{1|Nb<8>}	N[5a](Nb[3x3]N[3,5]6N[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,7|C<3>}	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	108.9972	0.734	4	108.9972	0.538	4	108.9972	0.538	4	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O){1|C<3>,1|N<3>}	109.0627	0.460	3	108.8533	0.161	6	108.8533	0.161	6	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	108.6440	0.244	3	108.8533	0.161	6	108.8533	0.161	6	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	108.7020	0.000	1	109.1585	0.718	10	109.1585	0.718	10	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	108.1160	0.000	1	109.1585	0.718	10	109.1585	0.718	10	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	109.4140	0.000	1	109.1585	0.718	10	109.1585	0.718	10	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	108.9070	0.000	1	109.1585	0.718	10	109.1585	0.718	10	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	109.2850	0.249	2	109.1585	0.718	10	109.1585	0.718	10	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	111.2190	0.000	1	109.1585	0.718	10	109.1585	0.718	10	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	108.8857	0.487	3	109.1585	0.718	10	109.1585	0.718	10	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	108.5215	0.143	4	108.4340	0.059	10	108.3302	0.237	53	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	108.4407	0.239	3	108.4340	0.059	10	108.3302	0.237	53	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	108.3107	0.373	3	108.4340	0.059	10	108.3302	0.237	53	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){2|N<2>}	108.9200	0.000	1	108.2162	0.239	38	108.3302	0.237	53	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	108.2744	0.488	29	108.2162	0.239	38	108.3302	0.237	53	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	107.9175	0.354	8	108.2162	0.239	38	108.3302	0.237	53	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|N<2>,1|O<1>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|O<2>}	108.9884	0.203	5	108.9884	0.041	5	108.3302	0.237	53	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.6125	0.363	2	107.6125	0.132	2	107.8911	0.389	42	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.6690	0.000	1	107.7246	0.233	33	107.8911	0.389	42	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.4460	0.000	1	107.7246	0.233	33	107.8911	0.389	42	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.2253	0.448	3	107.7246	0.233	33	107.8911	0.389	42	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	108.0534	0.523	5	107.7246	0.233	33	107.8911	0.389	42	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.7327	0.457	23	107.7246	0.233	33	107.8911	0.389	42	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	108.8940	0.502	4	108.7559	0.341	7	107.8911	0.389	42	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	108.1415	0.021	2	108.7559	0.341	7	107.8911	0.389	42	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	109.4320	0.000	1	108.7559	0.341	7	107.8911	0.389	42	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:1:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a])(H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a])(H){1|C<3>,1|N<2>}	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	108.3162	0.523	117	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){3|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN){1|N<2>,1|N<3>}	108.5936	0.268	5	108.5936	0.072	5	108.5936	0.072	5	107.8191	0.322	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|C<3>,1|N<2>}	107.6710	0.000	1	107.6240	0.004	2	107.5913	0.162	17	107.8191	0.322	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|C<3>,1|N<2>}	107.5770	0.000	1	107.6240	0.004	2	107.5913	0.162	17	107.8191	0.322	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){2|N<2>}	107.0170	0.000	1	107.5869	0.185	15	107.5913	0.162	17	107.8191	0.322	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|N<2>,1|N<3>}	107.5970	0.217	8	107.5869	0.185	15	107.5913	0.162	17	107.8191	0.322	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|N<2>,1|N<3>}	107.6685	0.615	6	107.5869	0.185	15	107.5913	0.162	17	107.8191	0.322	22	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){2|N<2>}	108.5500	0.000	1	108.7056	0.080	5	108.7056	0.080	5	108.4870	1.855	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){1|N<2>,1|N<3>}	108.7445	0.311	4	108.7056	0.080	5	108.7056	0.080	5	108.4870	1.855	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C){2|C<3>}	107.8280	0.228	2	107.8280	0.052	2	107.8280	0.052	2	108.4870	1.855	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:In-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(InCC)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|In<3>,1|C<3>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(InCC){1|C<3>,1|N<2>}	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	108.4870	1.855	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N[6]-3:	C[5a](N[5a]N[5a]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2)	C[5a](N[5a]N[5a]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|N<3>,2|C<3>}	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>}	106.9715	0.132	2	106.9715	0.017	2	106.9715	0.017	2	108.4870	1.855	10	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:2:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	108.4040	0.802	2	108.4040	0.643	2	108.4040	0.643	2	108.4040	0.643	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(N[5a]O[5a]){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H){1|C<3>,1|N<2>}	113.1845	0.554	2	113.0770	0.188	3	113.0770	0.188	3	112.5301	1.852	14	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(N[5a]O[5a]){1|O<1>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H){1|C<3>,1|N<2>}	112.8620	0.000	1	113.0770	0.188	3	113.0770	0.188	3	112.5301	1.852	14	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])2(H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C[6])2(H){2|C<3>,2|N<3>}	112.3820	2.221	4	112.3820	4.934	4	112.3820	4.934	4	112.5301	1.852	14	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|H<1>,2|C<3>,2|C<4>}	113.5220	0.000	1	113.5220	0.000	1	112.9910	0.564	2	112.5301	1.852	14	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(H){2|C<3>}	112.4600	0.000	1	112.4600	0.000	1	112.9910	0.564	2	112.5301	1.852	14	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	B[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]B[5a])	N[5a](B[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]O[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]B[5a]){1|H<1>,3|C<3>}	N[5a](B[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(H){4|C<3>}	113.6080	0.000	1	113.6080	0.000	1	113.6080	0.000	1	112.5301	1.852	14	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	111.7682	1.071	4	111.7682	1.146	4	111.7682	1.146	4	112.5301	1.852	14	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NN)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NN){1|C<3>,1|N<2>}	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-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])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]){1|O<2>,2|C<3>}	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>}	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC){1|N<2>,1|N<3>,2|C<3>}	110.3402	0.401	4	110.3402	0.161	4	110.3402	0.161	4	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH){4|C<3>}	108.5960	0.000	1	108.5960	0.000	1	109.0715	0.258	17	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	108.8569	0.332	8	108.8569	0.110	8	109.0715	0.258	17	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(NC)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NC){4|C<3>}	108.8365	0.022	2	108.8365	0.000	2	109.0715	0.258	17	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){2|C<3>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC){1|N<2>,1|N<3>,2|C<3>}	109.6718	0.623	4	109.6718	0.388	4	109.0715	0.258	17	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(NC)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){2|C<3>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])2(NC){2|C<3>,2|N<2>}	109.2020	0.110	2	109.2020	0.012	2	109.0715	0.258	17	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-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])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	108.1200	0.434	2	108.1200	0.188	2	108.1200	0.188	2	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-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)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	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>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]){1|N<2>,2|C<3>}	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>}	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	109.2622	0.566	26	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H){1|C<3>,1|N<2>}	109.3130	0.000	1	109.3130	0.000	1	110.2588	0.892	6	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|C<3>,1|N<2>}	109.8120	0.157	2	109.8120	0.025	2	110.2588	0.892	6	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	110.3020	0.253	2	110.8720	1.007	3	110.2588	0.892	6	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){2|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	112.0120	0.000	1	110.8720	1.007	3	110.2588	0.892	6	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2){1|N<2>,2|H<1>,5|C<3>}	109.4390	0.594	2	109.4390	0.353	2	109.4390	0.353	2	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	109.9230	1.830	2	109.9230	3.349	2	110.2641	0.238	34	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	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>}	110.3765	0.158	2	110.3765	0.025	2	110.2641	0.238	34	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>}	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>}	110.3080	0.000	1	110.3080	0.000	1	110.2641	0.238	34	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	110.3650	0.000	1	110.2854	0.155	28	110.2641	0.238	34	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	110.2362	0.387	6	110.2854	0.155	28	110.2641	0.238	34	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	110.2548	0.412	19	110.2854	0.155	28	110.2641	0.238	34	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){6|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	110.6840	0.147	2	110.2854	0.155	28	110.2641	0.238	34	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a])	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	110.0830	0.000	1	110.0830	0.000	1	110.2641	0.238	34	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NCH){2|C<3>}	109.2300	0.000	1	109.2300	0.000	1	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	108.8630	0.629	2	108.8630	0.396	2	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH){4|C<3>}	109.0010	0.000	1	109.3185	0.202	2	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH){4|C<3>}	109.6360	0.000	1	109.3185	0.202	2	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,1|S<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NHH){2|C<3>}	109.2365	0.015	2	109.2365	0.000	2	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(NCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NCH){4|C<3>}	109.5455	0.374	6	109.5455	0.140	6	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NHH){4|C<3>}	109.3970	0.177	2	109.2737	0.131	26	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NHH){4|C<3>}	109.1470	0.632	2	109.2737	0.131	26	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NHH){4|C<3>}	109.2740	0.364	22	109.2737	0.131	26	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(NCH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NCH){2|C<3>,2|N<2>}	109.1672	0.571	4	109.1672	0.326	4	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NHH){2|C<3>,2|N<2>}	109.5280	0.444	4	109.3791	0.172	10	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NHH){2|C<3>,2|N<2>}	109.2798	0.402	6	109.3791	0.172	10	109.3003	0.154	53	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]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>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|S<2>,2|N<2>}	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>}	110.4335	0.062	2	110.4335	0.004	2	110.4335	0.004	2	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	109.7300	0.000	1	109.5768	0.517	5	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.1330	0.000	1	109.5768	0.517	5	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	108.3480	0.000	1	109.5768	0.517	5	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.8365	0.298	2	109.5768	0.517	5	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.4410	0.000	1	109.4410	0.000	1	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|S<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.7425	0.313	2	109.7425	0.098	2	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	110.3180	0.189	4	109.9134	0.304	34	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	109.7020	0.000	1	109.9134	0.304	34	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.2560	0.269	2	109.9134	0.304	34	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	110.0375	0.411	2	109.9134	0.304	34	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	109.9734	0.375	5	109.9134	0.304	34	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	109.9814	0.384	20	109.9134	0.304	34	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a])	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	109.9010	0.000	1	109.9010	0.000	1	109.8550	0.307	43	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(O[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:3:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NHH)	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NHH){1|C<3>,1|N<2>}	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	109.7991	0.487	142	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|O<2>}	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	110.1594	0.400	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH){2|C<3>}	110.3930	0.000	1	110.3930	0.000	1	109.9982	0.337	9	110.1594	0.400	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(CCHH){4|C<3>}	110.1585	0.466	2	110.1585	0.217	2	109.9982	0.337	9	110.1594	0.400	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){4|C<3>}	110.3555	0.336	2	110.3555	0.113	2	109.9982	0.337	9	110.1594	0.400	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(CH3){4|C<3>}	109.0565	0.145	2	109.0565	0.021	2	109.9982	0.337	9	110.1594	0.400	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2(CCHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2(CCHH){2|C<3>,2|N<2>}	110.2250	0.091	2	110.2250	0.008	2	109.9982	0.337	9	110.1594	0.400	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){2|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.1594	0.400	11	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){3|C<3>}	109.0900	0.000	1	109.0900	0.000	1	110.1913	0.381	13	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,2|N<3>}	110.0650	0.000	1	109.7656	0.113	5	110.1913	0.381	13	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	109.7070	0.516	2	109.7656	0.113	5	110.1913	0.381	13	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,3|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	109.4830	0.000	1	109.7656	0.113	5	110.1913	0.381	13	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	109.8660	0.000	1	109.7656	0.113	5	110.1913	0.381	13	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	110.6960	0.000	1	110.6960	0.000	1	110.1913	0.381	13	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,1|N<3>}	110.9340	0.000	1	110.9340	0.000	1	110.1913	0.381	13	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|N<3>}	110.7353	0.111	3	110.5878	0.102	5	110.1913	0.381	13	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|N<2>}	110.3665	0.470	2	110.5878	0.102	5	110.1913	0.381	13	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O){1|N<2>,2|N<3>}	109.9438	0.434	5	109.9438	0.188	5	109.9438	0.188	5	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])2	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])2{1|H<1>,2|C<3>,2|N<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	109.0780	0.000	1	109.3640	0.062	3	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	109.5070	0.040	2	109.3640	0.062	3	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	110.0490	0.000	1	110.0490	0.000	1	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|O<2>,2|C<3>}	109.6980	0.085	2	109.6980	0.007	2	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|S<2>,2|C<3>}	109.3465	0.419	2	109.3465	0.176	2	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	109.2065	0.317	4	109.3732	0.254	6	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	110.2700	0.000	1	109.3732	0.254	6	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	109.1430	0.000	1	109.3732	0.254	6	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<3>,1|H<1>,3|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	109.6510	0.000	1	109.6510	0.000	1	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	110.0510	0.000	1	110.0080	0.094	4	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	110.4120	0.000	1	110.0080	0.094	4	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	109.7845	0.132	2	110.0080	0.094	4	109.5869	0.186	19	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:1:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]2)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]2)(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	113.4060	0.086	2	113.4060	0.007	2	113.4060	0.007	2	110.0389	0.916	40	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){3|C<3>}	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>,1|S<2>}	109.7590	0.000	1	109.7590	0.000	1	110.2611	0.148	9	110.0673	0.205	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|N<3>,1|S<2>}	109.8545	0.138	2	109.8545	0.019	2	110.2611	0.148	9	110.0673	0.205	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>}	110.3040	0.000	1	110.3040	0.000	1	110.2611	0.148	9	110.0673	0.205	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|N<2>,2|N<3>}	110.5360	0.153	2	110.5360	0.023	2	110.2611	0.148	9	110.0673	0.205	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|N<2>,2|N<3>}	110.4370	0.000	1	110.4370	0.000	1	110.2611	0.148	9	110.0673	0.205	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO){1|N<2>,2|N<3>}	110.5345	0.476	2	110.5345	0.226	2	110.2611	0.148	9	110.0673	0.205	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	109.5550	0.000	1	109.5550	0.000	1	109.6312	0.059	4	110.0673	0.205	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	109.3580	0.000	1	109.3580	0.000	1	109.6312	0.059	4	110.0673	0.205	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:2:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	109.8060	0.188	2	109.8060	0.035	2	109.6312	0.059	4	110.0673	0.205	13	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	112.6100	0.000	1	112.6100	0.000	1	111.8916	0.352	8	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	111.7890	0.558	7	111.7890	0.312	7	111.8916	0.352	8	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){5|C<3>}	112.1210	0.000	1	112.1210	0.000	1	113.2448	0.284	17	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	113.4760	0.000	1	113.4760	0.000	1	113.2448	0.284	17	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|O<2>,3|C<3>}	114.1140	0.000	1	114.1140	0.000	1	113.2448	0.284	17	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	113.6060	0.250	6	113.4698	0.108	8	113.2448	0.284	17	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	113.0610	0.000	2	113.4698	0.108	8	113.2448	0.284	17	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|C<3>,1|O<1>,3|N<3>}	113.0720	0.000	1	113.0720	0.000	1	113.2448	0.284	17	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	113.0717	0.499	3	113.0717	0.249	3	113.2448	0.284	17	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	112.9350	0.000	1	112.9350	0.000	1	113.2448	0.284	17	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|B<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,3|C<3>}	112.4700	0.000	1	112.4700	0.000	1	113.2448	0.284	17	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|H<1>,2|O<2>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H){2|O<2>,3|C<3>}	111.4590	0.000	1	111.4590	0.000	1	111.8954	0.566	39	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	111.5570	0.014	2	111.5570	0.000	2	111.8954	0.566	39	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	111.7065	0.071	2	111.7065	0.005	2	111.8954	0.566	39	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C[5])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C[5]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	112.8595	0.387	2	112.8595	0.150	2	111.8954	0.566	39	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	111.9350	0.733	27	111.8527	0.605	31	111.8954	0.566	39	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	111.2975	0.959	4	111.8527	0.605	31	111.8954	0.566	39	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|N<3>}	112.7820	0.000	1	112.7820	0.000	1	111.8954	0.566	39	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){1|N<3>,2|C<3>}	111.1030	0.000	1	111.4080	0.186	2	111.4080	0.186	2	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){1|N<3>,2|C<3>}	111.7130	0.000	1	111.4080	0.186	2	111.4080	0.186	2	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.8710	0.000	1	111.8710	0.000	1	113.1121	3.773	29	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	113.5430	0.037	2	113.5430	0.001	2	113.1121	3.773	29	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	112.6835	1.467	2	112.6835	2.153	2	113.1121	3.773	29	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.1200	0.000	1	112.1200	0.000	1	113.1121	3.773	29	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	110.2995	2.846	2	110.2995	8.100	2	113.1121	3.773	29	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	112.5290	0.048	2	112.5290	0.002	2	113.1121	3.773	29	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	113.5869	1.991	19	113.5869	3.963	19	113.1121	3.773	29	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.2602	0.219	8	111.2602	0.048	8	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){6|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){5|C<3>}	111.4455	0.011	2	111.4455	0.000	2	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){5|C<3>}	110.0225	0.602	2	110.0225	0.362	2	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<2>,2|C<3>}	111.3660	0.000	1	111.3660	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.2120	0.323	3	110.7319	0.661	42	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	110.6530	0.000	1	110.7319	0.661	42	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	110.5706	0.595	13	110.7319	0.661	42	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	110.9375	0.421	2	110.7319	0.661	42	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.2605	0.070	2	110.7319	0.661	42	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	110.9560	0.273	2	110.7319	0.661	42	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	110.6466	1.094	18	110.7319	0.661	42	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	111.0880	0.000	1	110.7319	0.661	42	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	110.2380	0.000	1	110.2380	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.0510	0.000	1	109.0510	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){5|C<3>}	110.2120	0.000	1	110.2120	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	110.5170	0.000	1	110.5170	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	110.9300	0.000	1	110.8997	0.142	8	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<2>,2|C<3>}	111.1277	0.396	3	110.8997	0.142	8	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	110.4590	0.296	2	110.8997	0.142	8	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	110.9835	0.192	2	110.8997	0.142	8	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	110.0700	0.000	1	110.0700	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H){5|C<3>}	112.6500	0.000	1	112.6500	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.0477	0.230	6	110.6249	2.023	9	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	109.7793	2.520	3	110.6249	2.023	9	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,1|I<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|I<1>,2|C<3>}	110.6705	0.062	2	110.6705	0.004	2	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,4|C<3>}	110.5870	0.000	1	110.5870	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|N<2>,2|C<3>}	113.3150	0.000	1	113.3150	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|S<2>,4|C<3>}	111.2720	0.000	1	111.2720	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){2|N<2>,3|C<3>}	111.6690	0.000	1	111.6690	0.000	1	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.4025	0.283	4	111.2782	0.047	10	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.1953	0.127	6	111.2782	0.047	10	110.8686	0.720	94	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,2|C<3>}	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	B[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H)	N[5a](B[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H){1|H<1>,3|C<3>}	N[5a](B[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	113.1210	0.000	1	113.1210	0.000	1	113.6582	0.098	6	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	B[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	113.7656	0.190	5	113.7656	0.036	5	113.6582	0.098	6	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:B[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]O)(H)	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]O)(H){3|C<3>}	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:1:	N[5]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	114.5690	0.000	1	114.5690	0.000	1	114.5690	0.000	1	111.7680	2.046	198	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6]){3|C<3>}	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	109.7351	0.592	18	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-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[5a]N[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	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>}	109.6075	0.402	2	109.6075	0.162	2	109.5374	0.208	15	109.7351	0.592	18	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-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])2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	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>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,5|C<3>}	108.4680	0.000	1	109.5266	0.228	13	109.5374	0.208	15	109.7351	0.592	18	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-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])2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	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>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	109.6669	0.375	9	109.5266	0.228	13	109.5374	0.208	15	109.7351	0.592	18	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-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])2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	109.4587	0.384	3	109.5266	0.228	13	109.5374	0.208	15	109.7351	0.592	18	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:N[5]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|C<4>,4|C<3>}	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>}	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	109.7351	0.592	18	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-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[5a]N[5a]C)	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	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>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C){3|C<3>}	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	109.7351	0.592	18	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]N)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NHH)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]N)(N[5a]C[5a,6a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NHH){1|H<1>,1|N<3>,3|C<3>}	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<2>,1|N<3>}	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	112.8015	0.550	13	112.8015	0.302	13	112.8149	0.267	15	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	112.6850	0.000	1	112.6850	0.000	1	112.8149	0.267	15	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	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>}	113.1180	0.000	1	113.1180	0.000	1	112.8149	0.267	15	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(COO)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(COO){3|C<3>}	111.6000	0.000	1	111.6000	0.000	1	110.7328	0.472	4	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCF)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCF){3|C<3>}	110.7630	0.000	1	110.7630	0.000	1	110.7328	0.472	4	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,2|C<3>}	109.9240	0.000	1	109.9240	0.000	1	110.7328	0.472	4	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|N<3>,4|C<3>}	110.6440	0.000	1	110.6440	0.000	1	110.7328	0.472	4	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2){1|N<2>,5|C<3>}	110.3870	0.000	1	110.3870	0.000	1	112.2440	6.897	2	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a]){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	114.1010	0.000	1	114.1010	0.000	1	112.2440	6.897	2	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|N<2>,5|C<3>}	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>}	113.3490	0.000	1	113.3490	0.000	1	113.3490	0.000	1	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NCH){1|H<1>,2|C<3>}	109.7250	0.000	1	109.7250	0.000	1	109.7685	0.004	2	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NHH){1|H<1>,2|C<3>}	109.8120	0.000	1	109.8120	0.000	1	109.7685	0.004	2	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(CCC)	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(CCC){1|C<4>,1|H<1>,3|C<3>}	113.9330	0.000	1	113.9330	0.000	1	113.9330	0.000	1	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|S<2>,5|C<3>}	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>}	112.4797	0.264	4	112.4797	0.070	4	112.4797	0.070	4	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]){8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	112.6090	0.000	1	112.6090	0.000	1	113.2340	0.307	3	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	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>}	113.5465	0.169	2	113.5465	0.029	2	113.2340	0.307	3	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a]){8|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	111.5375	0.013	2	111.5375	0.000	2	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	110.1455	0.677	13	110.6051	0.429	28	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	110.8748	0.096	4	110.6051	0.429	28	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	111.1020	0.000	1	110.6051	0.429	28	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	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>}	111.0449	0.304	10	110.6051	0.429	28	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	111.0940	0.374	4	111.0940	0.140	4	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){6|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	110.2755	1.022	2	110.2755	1.044	2	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	111.2600	0.000	1	110.8216	0.159	12	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	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>}	111.0885	0.159	2	110.8216	0.159	12	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	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>}	110.6774	0.412	8	110.8216	0.159	12	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	111.0030	0.000	1	110.8216	0.159	12	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	111.1870	0.000	1	111.1870	0.000	1	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	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>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	110.9735	0.057	2	110.9735	0.003	2	110.7439	0.358	51	111.3796	1.391	85	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](C[5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,4|C<3>}	112.3075	0.121	2	112.3075	0.015	2	112.8009	0.210	17	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH){1|H<1>,1|N<2>,3|C<3>}	113.2410	0.000	1	113.2410	0.000	1	112.8009	0.210	17	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<3>}	113.1500	0.000	1	113.1500	0.000	1	112.8009	0.210	17	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	112.5801	0.411	8	112.5801	0.169	8	112.8009	0.210	17	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H){1|H<1>,1|S<2>,3|C<3>}	112.8350	0.000	1	112.8350	0.000	1	112.8009	0.210	17	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	113.2733	0.127	3	113.2733	0.016	3	112.8009	0.210	17	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a]){1|S<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|C<3>,1|O<1>,1|S<2>,2|N<3>}	113.3130	0.000	1	113.3130	0.000	1	112.8009	0.210	17	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH){1|S<2>,4|C<3>}	111.5620	0.000	1	111.5620	0.000	1	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,4|C<3>}	111.2580	0.000	1	111.2580	0.000	1	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	111.1410	0.000	1	111.1410	0.000	1	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,1|N<3>}	110.2880	0.000	1	110.2880	0.000	1	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	111.3170	0.000	1	111.1805	0.085	15	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	111.1819	0.309	13	111.1805	0.085	15	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	111.0250	0.000	1	111.1805	0.085	15	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH){1|H<1>,1|N<2>,1|N<3>}	110.7810	1.412	3	110.7810	1.994	3	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	111.2524	0.208	14	111.2744	1.129	40	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	111.2862	1.318	26	111.2744	1.129	40	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	109.1260	2.079	3	109.1260	4.322	3	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,1|N<3>}	113.0760	0.132	2	113.0760	0.017	2	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|N<2>,2|N<3>}	111.1640	0.000	1	111.1640	0.000	1	111.1760	1.186	68	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	112.8840	0.000	1	112.8840	0.000	1	112.8382	1.933	30	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|O<1>,2|C<3>,2|N<3>}	112.7207	0.017	3	112.7207	0.000	3	112.8382	1.933	30	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	112.1333	1.830	6	112.1333	3.349	6	112.8382	1.933	30	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H){1|H<1>,1|N<2>,3|C<3>}	112.5410	0.000	1	112.5410	0.000	1	112.8382	1.933	30	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	112.9210	0.000	1	113.2355	2.827	12	112.8382	1.933	30	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	113.2641	1.760	11	113.2355	2.827	12	112.8382	1.933	30	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	113.2286	0.227	5	113.2286	0.051	5	112.8382	1.933	30	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	112.3710	0.000	1	112.3710	0.000	1	112.8382	1.933	30	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){1|S<2>,3|C<3>}	111.4190	0.000	1	111.4190	0.000	1	112.8382	1.933	30	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	112.4835	0.052	2	112.4835	0.003	2	112.4835	0.003	2	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	111.5170	0.000	1	111.4750	0.004	2	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	111.4330	0.000	1	111.4750	0.004	2	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	112.4110	0.000	1	111.6033	0.497	3	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	111.1995	0.124	2	111.6033	0.497	3	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	111.5940	0.000	1	111.1944	0.178	20	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	111.8965	0.204	2	111.1944	0.178	20	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	111.0882	0.355	17	111.1944	0.178	20	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){5|C<3>}	111.4800	0.000	1	111.4800	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	111.4590	0.000	1	111.4590	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	112.1390	0.000	1	111.3070	0.220	5	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	111.0990	0.067	4	111.3070	0.220	5	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){3|C<3>}	110.9960	0.000	1	110.9960	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){3|C<3>}	111.3630	0.357	4	111.3630	0.128	4	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO){3|C<3>}	111.0720	0.000	1	111.0720	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){3|C<3>}	111.3940	0.000	1	111.3940	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	111.2640	0.000	1	111.2640	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|N<3>,4|C<3>}	112.3890	0.000	1	112.3890	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	111.4550	0.000	1	111.4550	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|P<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH){1|C<4>,2|C<3>}	111.9710	0.000	1	111.9710	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	109.7590	0.510	5	109.7590	0.260	5	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	110.0675	0.397	2	110.0675	0.157	2	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,2|C<3>}	111.8215	0.480	2	111.8215	0.231	2	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|N<2>,2|C<3>}	113.9070	0.000	1	113.9070	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P){2|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|P<4>,2|C<3>}	111.5310	0.000	1	111.5310	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|N<2>,4|C<3>}	111.4210	0.000	1	111.4210	0.000	1	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<2>,2|C<3>}	111.5515	0.103	2	111.5515	0.011	2	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	109.7815	2.518	2	109.7815	6.340	2	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	110.2843	0.373	3	110.2843	0.139	3	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	111.6885	0.052	2	111.6885	0.003	2	111.1475	0.716	64	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	110.2310	0.000	1	111.1530	0.467	4	111.1530	0.467	4	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	111.4603	0.367	3	111.1530	0.467	4	111.1530	0.467	4	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	113.2095	0.057	2	113.2095	0.003	2	113.2095	0.003	2	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	111.6655	0.325	6	111.4997	0.107	18	111.4997	0.107	18	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	111.3942	0.434	5	111.4997	0.107	18	111.4997	0.107	18	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	111.4035	0.066	2	111.4997	0.107	18	111.4997	0.107	18	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	111.6010	0.000	1	111.4997	0.107	18	111.4997	0.107	18	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	111.4057	0.286	4	111.4997	0.107	18	111.4997	0.107	18	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3){1|C<3>,1|H<1>,1|N<2>}	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	111.6157	1.439	206	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:4:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,4|H<1>}	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	4:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	111.7385	0.627	2	111.7385	0.393	2	111.7385	0.393	2	111.7385	0.393	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	3:2:4:	N[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|N<3>,3|C<4>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	107.2090	0.000	1	107.2090	0.000	1	107.5807	0.121	3	107.7462	0.085	6	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	3:2:4:	N[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|N<3>,3|C<4>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	107.7665	0.186	2	107.7665	0.035	2	107.5807	0.121	3	107.7462	0.085	6	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	3:2:4:	N[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|N<3>,3|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	107.9380	0.000	1	107.9380	0.000	1	107.9117	0.009	3	107.7462	0.085	6	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	3:2:4:	N[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|N<3>,3|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	107.8985	0.127	2	107.8985	0.016	2	107.9117	0.009	3	107.7462	0.085	6	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	3:3:1:	N[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[3])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	N[5a](C[5a]N[5a]C[3])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|H<1>,2|C<3>,2|C<4>}	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	3:3:2:	N[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-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])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	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>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	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>}	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	3:3:3:	N[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	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])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)(C[6a]C[6a]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>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	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>}	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	3:4:2:	N[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a]){1|N<3>,3|C<4>,5|H<1>}	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	108.7915	0.003	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	3:4:2:	N[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a]){1|N<3>,3|C<4>,5|H<1>}	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.7915	0.003	2	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:2:	4:3:2:	N[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[6]C[6,6a]N[6]H)(C[5a]N[5a]C[6])(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	N[5a](C[6]C[6,6a]N[6]H)(C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>,4|C<4>}	106.6900	0.000	1	106.6900	0.000	1	106.6900	0.000	1	106.6900	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:3:	3:3:1:	N[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.7100	0.000	1	110.7100	0.000	1	111.7217	0.784	3	111.7217	0.784	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	3:4:2:	3:3:	3:3:1:	N[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a]){2|N<3>,4|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	112.2275	0.180	2	112.2275	0.033	2	111.7217	0.784	3	111.7217	0.784	3	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:1:	C[5,6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a])(H)	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,4|C<4>}	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a])(H){1|O<2>,2|C<4>}	107.2915	0.312	2	107.2915	0.097	2	107.2915	0.097	2	107.9785	0.690	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|N<3>,2|C<3>}	108.4590	0.000	1	108.4590	0.000	1	108.6655	0.085	2	107.9785	0.690	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|O<2>,2|C<3>}	108.8720	0.000	1	108.8720	0.000	1	108.6655	0.085	2	107.9785	0.690	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	108.7120	0.000	1	108.6535	0.007	2	108.5638	0.120	6	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|S<2>,3|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	108.5950	0.000	1	108.6535	0.007	2	108.5638	0.120	6	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|H<1>,3|C<4>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,1|N<3>}	108.2500	0.000	1	108.2500	0.000	1	108.5638	0.120	6	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>}	109.1580	0.000	1	109.1580	0.000	1	108.5638	0.120	6	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>}	108.3340	0.136	2	108.3340	0.018	2	108.5638	0.120	6	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|H<1>,1|N<3>}	108.1910	0.000	1	108.2205	0.002	2	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|H<1>,1|N<3>}	108.2500	0.000	1	108.2205	0.002	2	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	108.9680	0.076	4	109.0014	0.078	7	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){4|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	109.0460	0.471	3	109.0014	0.078	7	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>}	108.4120	0.000	1	108.4120	0.000	1	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|N<3>,3|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<4>}	107.9215	0.105	2	108.0883	0.089	3	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<4>,4|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|N<4>,3|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<4>,2|C<4>}	108.4220	0.000	1	108.0883	0.089	3	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	108.7480	0.000	1	108.7477	0.002	3	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	108.7950	0.000	1	108.7477	0.002	3	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,4|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	108.7000	0.000	1	108.7477	0.002	3	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:2:4:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,4|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|N<3>}	108.0540	0.000	1	108.0540	0.000	1	108.6132	0.203	17	108.6003	0.176	23	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:3:2:	C[6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-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])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	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>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	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>}	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:2:	3:3:4:	C[3x6]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[3x6]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3)	C[5a](C[3x6]C[6,6]3)(N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>,3|C<4>,6|H<1>}	N[5a](C[5a]C[3x6]N[5a])(N[5a]C[5a]){1|S<2>,4|C<4>}	N[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]S)(CH3){3|C<4>}	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:3:	3:3:1:	C[5,5,6]-4:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,5,6]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5,6]N[5a])(H)	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,5,6]N[5a]){1|H<1>,2|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5,6]N[5a])(H){1|O<1>,2|N<3>,3|C<4>}	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	112.3084	1.964	7	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	113.8020	0.000	1	113.8020	0.000	1	114.0610	0.134	2	112.3084	1.964	7	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	114.3200	0.000	1	114.3200	0.000	1	114.0610	0.134	2	112.3084	1.964	7	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<4>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,2|H<1>}	111.2620	0.471	4	111.2620	0.222	4	111.2620	0.222	4	112.3084	1.964	7	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:3:	3:3:4:	C-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	111.8665	0.730	2	111.8665	0.534	2	111.4787	0.718	3	111.2940	0.615	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:3:	3:3:4:	C-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	110.7030	0.000	1	110.7030	0.000	1	111.4787	0.718	3	111.2940	0.615	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP2	C[5a]	N[5a]	N[5a]	4:3:2:	3:3:	3:3:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a]){7|C<4>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<4>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	111.2940	0.615	4	111.6004	4.069	5068	111.5187	4.107	6257
727	519	813	5:SP2_SP2_SP3	C[5,5a]	N[5a]	N[5,5a]	3:2:2:	3:3:	4:3:3:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|H<1>,2|C<3>,2|C<4>}	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a,6a]	N[5a]	N[5a,6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	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[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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<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){1|N<3>,2|H<1>,5|C<3>}	112.9650	0.000	1	112.9650	0.000	1	112.9650	0.000	1	112.9650	0.000	1	112.9650	0.000	1	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a,5a]	3:3:2:	3:2:	3:4:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:C[5a]-3:	C[5a](N[5a,5a]B[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]N[5a,5a]C[6a])(O[5a]B[5a,5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a])	C[5a](N[5a,5a]B[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(O[5a]B[5a,5a]){1|O<2>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a,6]	3:2:3:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])	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[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>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|H<1>,5|C<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]){1|C<4>,1|H<1>,6|C<3>}	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	4:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	B[6,6a]-4:B[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a])	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>,4|N<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a]){1|B<4>,1|N<3>,4|C<3>}	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a]){1|B<3>,2|N<2>,7|C<3>}	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:2:4:	N[5a]-3:N[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:S-4:	C[5a](N[5a]O[5a]S)(N[5a]C[5a])(O)	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N)	N[5a](C[5a]N[5a]O)(O[5a]C[5a])(SCOO)	C[5a](N[5a]O[5a]S)(N[5a]C[5a])(O){1|N<2>}	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N){1|S<4>}	N[5a](C[5a]N[5a]O)(O[5a]C[5a])(SCOO){1|N<2>}	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	113.0942	8.124	10	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:Br-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(Br)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Br)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Br)(H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(Br){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Br){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Br)(H){1|Ir<6>,2|C<3>}	115.7410	0.000	1	115.7410	0.000	1	115.7410	0.000	1	115.7410	0.000	1	113.0942	8.124	10	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	115.1840	0.000	1	115.1840	0.000	1	115.1840	0.000	1	115.1840	0.000	1	113.0942	8.124	10	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:2:1:	3:3:	3:4:3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	113.0942	8.124	10	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:2:3:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	113.0942	8.124	10	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:3:	N[5a]-3:N[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	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)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[5a]N){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	113.0942	8.124	10	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	114.1770	0.000	1	114.1770	0.000	1	114.1770	0.000	1	113.3515	1.363	2	113.0942	8.124	10	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:2:3:	3:3:	3:3:4:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(NHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){1|H<1>,2|C<3>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	113.3515	1.363	2	113.0942	8.124	10	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:2:4:	3:3:	3:3:1:	N[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	113.2090	0.000	1	113.2090	0.000	1	113.2090	0.000	1	113.2090	0.000	1	113.0942	8.124	10	113.5229	6.548	15
727	519	813	5:SP2_SP2_SP3	C[5a]	N[5a]	N[5a]	3:3:2:	3:3:	3:3:2:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(CC[6a])	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,2|C<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6]){3|C<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(CC[6a]){2|C<2>,3|C<3>}	116.8110	0.000	1	116.8110	0.000	1	116.8110	0.000	1	116.8110	0.000	1	113.0942	8.124	10	113.5229	6.548	15