813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a,6]-3:C[6]-3:	C[5a,5a]-3:N[5a,6]-3:N[5a]-3:	N[5a,6]-3:C[6]-3:H-1:	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,5a](C[5a,5a]C[5a]N[5a])(N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H)	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>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	134.3390	0.000	1	134.3390	0.000	1	134.3390	0.000	1	134.3390	0.000	1	134.3390	0.000	1	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:C[6]-3:C-4:	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,6]N[5a]C[6])(N[6]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3)	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>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	132.7520	2.427	2	132.7520	5.889	2	132.7520	5.889	2	132.7520	5.889	2	130.0697	4.173	8	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H){1|H<1>,4|C<3>}	128.0760	0.000	1	128.0760	0.000	1	129.0544	0.923	5	129.1757	0.827	6	130.0697	4.173	8	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	129.8620	0.154	2	129.7453	0.053	3	129.0544	0.923	5	129.1757	0.827	6	130.0697	4.173	8	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	129.5120	0.000	1	129.7453	0.053	3	129.0544	0.923	5	129.1757	0.827	6	130.0697	4.173	8	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6,6a]H)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6,6a]H)(H){5|C<3>}	127.9600	0.000	1	127.9600	0.000	1	129.0544	0.923	5	129.1757	0.827	6	130.0697	4.173	8	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6]){2|H<1>,7|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>}	129.7820	0.000	1	129.7820	0.000	1	129.7820	0.000	1	129.1757	0.827	6	130.0697	4.173	8	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6]){3|H<1>,6|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H){2|H<1>,6|C<3>}	129.8350	0.000	1	129.8350	0.000	1	129.8350	0.000	1	129.8350	0.000	1	129.8350	0.000	1	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:O[6]-2:N-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a]){5|C<3>}	127.6750	0.000	1	127.6750	0.000	1	127.6750	0.000	1	126.8880	1.239	2	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:S[6]-2:N-2:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC){1|N<2>,4|C<3>}	126.1010	0.000	1	126.1010	0.000	1	126.1010	0.000	1	126.8880	1.239	2	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6]-2:N-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)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH){1|N<2>,4|C<3>}	132.8910	0.000	1	132.8910	0.000	1	132.8910	0.000	1	132.8910	0.000	1	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H){3|C<3>,3|C<4>}	131.3775	0.240	2	131.3775	0.057	2	131.3775	0.057	2	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	126.5750	0.000	1	126.5750	0.000	1	126.9705	0.313	2	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:O-1:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	127.3660	0.000	1	127.3660	0.000	1	126.9705	0.313	2	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){5|C<3>}	128.7630	0.000	1	128.7630	0.000	1	130.2913	1.359	9	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H){5|C<3>}	128.8200	0.000	1	128.8200	0.000	1	130.2913	1.359	9	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	129.8870	0.000	1	129.8870	0.000	1	130.2913	1.359	9	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H){1|O<1>,4|C<3>}	130.5750	0.000	1	130.5750	0.000	1	130.2913	1.359	9	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	130.1930	0.000	1	130.1930	0.000	1	130.2913	1.359	9	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:H-1:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]H)(H)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]H)(H){1|N<2>,4|C<3>}	130.0630	0.000	1	130.0630	0.000	1	130.2913	1.359	9	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-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]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	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>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	132.0990	0.000	1	132.0990	0.000	1	130.2913	1.359	9	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-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]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	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>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	131.9630	0.000	1	131.9630	0.000	1	130.2913	1.359	9	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-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]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|N<2>,4|C<3>}	130.2590	0.000	1	130.2590	0.000	1	130.2913	1.359	9	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O){1|C<4>,4|C<3>}	127.7395	0.489	2	127.7395	0.239	2	127.7395	0.239	2	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O){2|C<4>,4|C<3>}	126.1080	0.000	1	126.1080	0.000	1	126.3637	0.092	3	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	126.7000	0.000	1	126.7000	0.000	1	126.3637	0.092	3	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O){1|C<4>,2|H<1>,3|C<3>}	126.2830	0.000	1	126.2830	0.000	1	126.3637	0.092	3	129.1049	4.120	18	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:N-2:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	126.7050	0.000	1	126.7050	0.000	1	126.7050	0.000	1	127.7025	1.990	2	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:N-2:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a])	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a]){1|N<3>,2|N<2>,4|C<3>}	128.7000	0.000	1	128.7000	0.000	1	128.7000	0.000	1	127.7025	1.990	2	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO){3|C<3>,3|C<4>}	132.4100	0.000	1	132.4100	0.000	1	132.4100	0.000	1	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(C[6]C[6]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]){3|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	132.6370	0.000	1	132.6370	0.000	1	132.6370	0.000	1	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	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>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	134.6030	0.000	1	134.6030	0.000	1	134.2545	0.243	2	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	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>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	133.9060	0.000	1	133.9060	0.000	1	134.2545	0.243	2	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	131.6840	0.000	1	131.6840	0.000	1	130.6093	3.258	6	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(C[6a]C[6a]2)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	132.1380	0.000	1	132.1380	0.000	1	130.6093	3.258	6	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	132.6130	0.000	1	132.6130	0.000	1	130.6093	3.258	6	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	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>,1|I<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	129.0737	0.924	3	129.0737	0.854	3	130.6093	3.258	6	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:N-3:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<2>,4|C<3>}	131.6230	0.000	1	131.6230	0.000	1	131.6230	0.000	1	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]S[6]H)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]S[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	129.4400	0.000	1	129.4400	0.000	1	129.2300	0.080	4	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-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])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	129.1600	0.302	3	129.1600	0.091	3	129.2300	0.080	4	131.0503	4.030	15	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C-4:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3){1|N<2>,4|C<3>}	131.4040	0.000	1	131.4040	0.000	1	131.3335	0.010	2	131.3335	0.010	2	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C-4:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3){1|N<2>,4|C<3>}	131.2630	0.000	1	131.2630	0.000	1	131.3335	0.010	2	131.3335	0.010	2	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O){3|C<3>,3|C<4>}	128.4470	0.322	2	128.4470	0.104	2	128.5522	0.525	8	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){2|C<4>,4|C<3>}	128.9325	0.446	2	129.0783	0.163	3	128.5522	0.525	8	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){3|C<3>,3|C<4>}	129.3700	0.000	1	129.0783	0.163	3	128.5522	0.525	8	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	129.0110	0.000	1	128.0963	0.885	3	128.5522	0.525	8	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	127.6390	0.717	2	128.0963	0.885	3	128.5522	0.525	8	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O){4|C<3>}	132.5440	0.000	1	132.5440	0.000	1	132.5440	0.000	1	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6,6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O){2|C<3>,3|H<1>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	126.8620	0.000	1	126.8620	0.000	1	126.8620	0.000	1	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	126.7735	0.252	2	126.7735	0.064	2	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	127.3545	0.483	2	126.2423	1.327	7	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	126.7240	0.359	2	126.2423	1.327	7	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	125.7130	0.000	1	126.2423	1.327	7	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	124.9130	0.919	2	126.2423	1.327	7	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O){1|C<4>,3|C<3>}	127.9750	0.000	2	127.9750	0.000	2	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	125.6093	0.636	4	125.6496	0.312	5	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,3|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	125.8110	0.000	1	125.6496	0.312	5	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	127.9903	0.167	3	127.9903	0.028	3	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O){1|N<2>,4|C<3>}	128.9005	0.029	2	128.9005	0.001	2	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	127.5900	0.000	1	127.7985	0.087	2	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	128.0070	0.000	1	127.7985	0.087	2	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	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,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.6360	0.000	1	128.6360	0.000	1	126.9769	1.681	24	127.5079	2.534	34	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N){2|F<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a]){5|C<3>}	126.5240	0.000	1	126.5240	0.000	1	126.5240	0.000	1	126.5240	0.000	1	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|F<1>,1|H<1>,2|O<2>,4|C<3>}	131.6425	0.767	2	131.6425	0.589	2	131.6425	0.589	2	131.6425	0.589	2	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	129.0440	0.000	1	129.0440	0.000	1	131.0930	3.156	3	131.0930	3.156	3	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	132.1175	0.122	2	132.1175	0.015	2	131.0930	3.156	3	131.0930	3.156	3	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:H-1:	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	128.7870	0.134	2	128.7870	0.018	2	128.7870	0.018	2	128.7870	0.018	2	128.9063	5.310	82	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6,6]	3:3:3:	3:2:1:	3:3:3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6]-3:N[6,6]-3:C[6]-3:	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)	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[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){2|H<1>,4|C<3>}	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>}	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	130.0790	0.000	1	130.0790	0.000	1	130.0790	0.000	1	130.0790	0.000	1	130.0790	0.000	1	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6]-3:N[6]-2:O-1:	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)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O)	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>}	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>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	127.4640	0.000	1	127.4640	0.000	1	127.4640	0.000	1	127.4640	0.000	1	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:S[5a]-2:N-2:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(S[5a]N[5a])(NC[6a])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	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>}	C[5a](N[5a,6]C[5a,6]C[6])(S[5a]N[5a])(NC[6a]){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	123.3690	0.000	1	123.3690	0.000	1	123.3690	0.000	1	123.3690	0.000	1	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:C-4:	N[5a,6]-3:C[6]-3:H-1:	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)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H)	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>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H){1|C<4>,1|N<2>,3|C<3>}	130.0040	0.000	1	130.0040	0.000	1	130.0040	0.000	1	130.0040	0.000	1	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	129.8525	0.347	2	129.8525	0.121	2	129.8525	0.121	2	129.1854	1.990	10	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H){1|H<1>,6|C<3>}	129.9110	0.000	1	129.9110	0.000	1	130.0070	0.018	2	129.1854	1.990	10	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.1030	0.000	1	130.1030	0.000	1	130.0070	0.018	2	129.1854	1.990	10	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	130.4420	0.000	1	130.4420	0.000	1	130.7595	0.202	2	129.1854	1.990	10	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	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>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	131.0770	0.000	1	131.0770	0.000	1	130.7595	0.202	2	129.1854	1.990	10	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[5a,6]-3:O-1:	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O)	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>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|N<3>,1|O<1>}	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>}	127.6010	0.000	1	127.6010	0.000	1	127.6010	0.000	1	129.1854	1.990	10	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:O-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O)	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>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O){1|N<2>,2|H<1>,4|C<3>}	127.2670	0.000	1	127.2670	0.000	1	127.2670	0.000	1	129.1854	1.990	10	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5,6]C[5a])(O)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6,6]H)(H)	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5,6]C[5a])(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	127.8740	0.863	2	127.8740	0.744	2	127.8740	0.744	2	129.1854	1.990	10	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:S-2:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S)	C[5a](N[5a,6]C[5a,6]C[6])2(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a])	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])2(H){2|S<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.1335	0.599	2	128.1335	0.359	2	128.1335	0.359	2	128.1335	0.359	2	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6,6]-3:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,5|C<3>}	129.3170	0.000	1	129.3170	0.000	1	129.3170	0.000	1	130.8360	4.299	4	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]N[5])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	128.9890	0.000	1	128.9890	0.000	1	128.9890	0.000	1	130.8360	4.299	4	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](N[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](N[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){4|C<3>}	C[6](N[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	133.3890	0.000	1	133.3890	0.000	1	133.3890	0.000	1	130.8360	4.299	4	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:O-1:	N[5a,6]-3:C[6]-3:N-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N)	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	131.6490	0.000	1	131.6490	0.000	1	131.6490	0.000	1	130.8360	4.299	4	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	130.6030	0.000	1	130.6030	0.000	1	130.8887	0.739	3	130.8887	0.739	3	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<2>,1|H<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	130.2080	0.000	1	130.2080	0.000	1	130.8887	0.739	3	130.8887	0.739	3	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C){1|H<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	131.8550	0.000	1	131.8550	0.000	1	130.8887	0.739	3	130.8887	0.739	3	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-4:C-3:	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH)	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>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	128.6890	0.000	1	128.6890	0.000	1	130.5203	2.868	3	130.5203	2.868	3	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-4:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H){2|H<1>,3|C<3>}	130.8420	0.000	1	130.8420	0.000	1	130.5203	2.868	3	130.5203	2.868	3	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-4:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|O<1>,1|O<2>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H){1|H<1>,3|C<3>}	132.0300	0.000	1	132.0300	0.000	1	130.5203	2.868	3	130.5203	2.868	3	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	4:3:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:O-1:	C[6]-4:N[5a,6]-3:N-2:	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a])	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N){1|N<3>,1|O<1>,4|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]N[5a])(N[5a,6]N[5a,6]C[5a])(NC[6a]){1|O<1>,2|N<3>,6|C<3>}	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:O-2:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(OH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	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>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(OH){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	132.3040	0.000	1	132.3040	0.000	1	132.3040	0.000	1	132.3040	0.000	1	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:O-1:	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])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	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>}	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>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	126.8420	0.000	1	126.8420	0.000	1	126.8420	0.000	1	126.8420	0.000	1	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5,5a]-3:N[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]H)(H)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]H)(H){5|C<3>}	128.4570	0.000	1	128.4570	0.000	1	128.4570	0.000	1	129.6178	3.156	6	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])2(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])2(O){7|C<3>}	127.8340	0.000	1	127.8340	0.000	1	127.8340	0.000	1	129.6178	3.156	6	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	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>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	131.4520	0.000	1	131.4520	0.000	1	131.4520	0.000	1	129.6178	3.156	6	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Pd)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.1190	0.000	1	132.1190	0.000	1	132.1190	0.000	1	129.6178	3.156	6	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:O-1:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O)	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>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	128.3470	0.000	1	128.3470	0.000	1	128.3470	0.000	1	129.6178	3.156	6	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(NC[6a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H){1|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(NC[6a]H){2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	129.4980	0.000	1	129.4980	0.000	1	129.4980	0.000	1	129.6178	3.156	6	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.3690	0.000	1	130.3690	0.000	1	130.1250	0.119	2	130.1250	0.119	2	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.8810	0.000	1	129.8810	0.000	1	130.1250	0.119	2	130.1250	0.119	2	129.3462	5.041	36	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Pt)	C[6](N[5a]C[5a,6]C[5a])(N[6]C[6]Pt)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Pt){1|N<3>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a,6]C[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	128.8960	0.000	1	128.8960	0.000	1	128.8960	0.000	1	128.8960	0.000	1	126.1800	5.533	3	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a]-3:C[6]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Cu)	C[6](N[5a]C[5a,6]C[5a])(C[6]N[5a]C[6])(C[6]C[6]CuH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2){1|Cu<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Cu){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a,6]C[5a])(C[6]N[5a]C[6])(C[6]C[6]CuH){1|Cu<4>,2|H<1>,2|N<3>,5|C<3>}	124.8220	0.023	2	124.8220	0.001	2	124.8220	0.001	2	124.8220	0.001	2	126.1800	5.533	3	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6]-2:N[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6]){5|C<3>}	125.7730	0.437	2	125.7730	0.191	2	125.7730	0.191	2	125.7730	0.191	2	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6]-3:N[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]2)(C[6]N[6]H)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]N[6]H)(N[6]C[6]){1|Cu<5>,1|H<1>,5|C<3>}	125.7935	0.586	2	125.7935	0.344	2	125.7935	0.344	2	126.9846	5.742	9	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2){1|Pd<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(N[6]C[6]){2|H<1>,5|C<3>}	125.2395	0.745	2	125.2395	0.554	2	125.2740	0.795	4	126.9846	5.742	9	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2){1|Pd<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(N[6]C[6]){2|H<1>,5|C<3>}	125.3085	1.351	2	125.3085	1.826	2	125.2740	0.795	4	126.9846	5.742	9	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Mn)(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Mn)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Mn)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Mn)(N[6]C[6]){2|H<1>,4|C<3>}	130.4490	0.000	1	130.4490	0.000	1	130.0593	0.150	3	126.9846	5.742	9	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6]){2|H<1>,4|C<3>}	129.6740	0.000	1	129.8645	0.073	2	130.0593	0.150	3	126.9846	5.742	9	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Rh)(N[6]C[6]){2|H<1>,4|C<3>}	130.0550	0.000	1	129.8645	0.073	2	130.0593	0.150	3	126.9846	5.742	9	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2{1|Br<1>,1|N<3>,3|C<3>}	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	125.6835	0.927	2	125.6835	0.859	2	125.7605	0.304	6	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]){1|N<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	125.7990	0.463	4	125.7990	0.215	4	125.7605	0.304	6	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2){1|N<3>,4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|N<3>,5|C<3>}	125.1652	1.015	14	124.7922	1.809	18	124.7922	1.809	18	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2){1|N<3>,4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,1|H<1>,5|C<3>}	123.4868	1.694	4	124.7922	1.809	18	124.7922	1.809	18	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Cu<4>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	124.9963	0.897	4	124.9963	0.804	4	124.2795	1.489	22	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	124.5502	1.201	6	124.5502	1.443	6	124.2795	1.489	22	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	123.6277	1.195	3	123.6277	1.427	3	124.2795	1.489	22	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	124.1425	1.660	4	123.6778	2.482	6	124.2795	1.489	22	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd){1|N<3>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	122.7485	1.248	2	123.6778	2.482	6	124.2795	1.489	22	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	124.6380	0.169	3	124.6380	0.028	3	124.2795	1.489	22	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru)(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Ru)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru)(C[6]C[6]N[6]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	133.4420	0.000	1	133.4420	0.000	1	133.4420	0.000	1	124.7735	3.541	48	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6]-4:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	126.3348	1.358	5	126.1427	1.698	6	126.1427	1.698	6	126.1427	1.698	6	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6]-4:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	125.1820	0.000	1	126.1427	1.698	6	126.1427	1.698	6	126.1427	1.698	6	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,6]-4:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6]){1|Zr<13>,2|H<1>,3|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,5|C<3>}	125.5730	3.261	4	125.5730	10.636	4	125.7182	4.700	8	125.7182	4.700	8	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,6]-4:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6]){1|Zr<13>,2|C<4>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	125.8635	0.524	4	125.8635	0.274	4	125.7182	4.700	8	125.7182	4.700	8	125.2895	4.151	73	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	130.0820	0.000	1	130.0820	0.000	1	128.0867	3.324	3	129.5946	3.249	7	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	127.0890	0.822	2	127.0890	0.675	2	128.0867	3.324	3	129.5946	3.249	7	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	131.0330	0.000	1	130.5327	0.233	3	130.7255	0.304	4	129.5946	3.249	7	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|O<1>,3|C<3>}	130.2825	0.301	2	130.5327	0.233	3	130.7255	0.304	4	129.5946	3.249	7	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	131.3040	0.000	1	131.3040	0.000	1	130.7255	0.304	4	129.5946	3.249	7	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:2:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a]-3:C[6]-3:C[6]-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(OMo)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(OMo){1|C<2>,1|C<3>,1|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|O<2>,3|C<3>}	128.4000	0.000	1	128.4000	0.000	1	128.4000	0.000	1	128.4000	0.000	1	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:2:3:	3:3:4:	3:2:2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-2:N[6]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|C<3>,3|N<3>}	129.8160	0.000	1	129.8160	0.000	1	129.8160	0.000	1	129.8160	0.000	1	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:2:3:	3:3:4:	3:3:2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	129.5415	0.221	2	129.5415	0.049	2	129.6877	0.055	4	129.6877	0.055	4	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:2:3:	3:3:4:	3:3:2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6]){1|C<4>,1|H<1>,3|C<3>}	129.8340	0.173	2	129.8340	0.030	2	129.6877	0.055	4	129.6877	0.055	4	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6]-3:N[6]-2:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	126.7655	0.702	2	126.9503	0.318	7	126.9503	0.318	7	126.9503	0.318	7	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6]-3:N[6]-2:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	127.0242	0.575	5	126.9503	0.318	7	126.9503	0.318	7	126.9503	0.318	7	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	C[6,6a]-3:N[5a]-3:C[6]-3:	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	128.6810	0.000	1	128.6810	0.000	1	128.6810	0.000	1	128.6810	0.000	1	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:2:	3:3:4:	3:2:2:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-2:P[6]-2:	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](N[5a]C[5a]N[5a])(N[6]N[6])(P[6]C[6])	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|P<2>}	C[6](N[5a]C[5a]N[5a])(N[6]N[6])(P[6]C[6]){1|C<4>,1|O<2>,3|C<3>}	129.5860	0.000	1	129.5860	0.000	1	129.5860	0.000	1	129.5860	0.000	1	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:2:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[6]-3:N[6]-2:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](N[5a]C[5a]N[5a])(C[6]P[6]O)(N[6]N[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|P<2>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](N[5a]C[5a]N[5a])(C[6]P[6]O)(N[6]N[6]){1|C<4>,3|C<3>}	126.7100	0.000	1	126.7100	0.000	1	126.7100	0.000	1	126.7100	0.000	1	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:2:	3:3:4:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	127.7820	0.000	1	127.7820	0.000	1	127.7820	0.000	1	127.7820	0.000	1	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[6]-2:N[6]-2:	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)	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6])	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>}	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){2|H<1>,2|N<2>}	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	126.8440	0.000	1	126.8440	0.000	1	126.8440	0.000	1	126.8440	0.000	1	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:C[6]-3:C[6]-2:	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)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6])	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>}	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<2>,1|C<3>,2|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	126.9570	0.000	1	126.9570	0.000	1	126.9570	0.000	1	126.9570	0.000	1	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:C[6]-3:C[6]-3:	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)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a]N[5a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,2|N<2>,3|H<1>}	128.1592	0.200	4	128.1592	0.040	4	128.1592	0.040	4	127.7516	0.861	5	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:C[6]-3:N[6]-3:	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)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<3>,1|N<3>,2|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	126.1210	0.000	1	126.1210	0.000	1	126.1210	0.000	1	127.7516	0.861	5	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[6]-3:C[6]-3:	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)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	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>}	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	128.1935	0.011	2	128.1935	0.000	2	128.1935	0.000	2	128.1935	0.000	2	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[6]-2:N[6]-2:	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])(C[5a]N[5a]H)(H)	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6])	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>}	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	126.8060	0.000	1	126.8060	0.000	1	126.8060	0.000	1	126.8060	0.000	1	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6]-3:C[6]-2:	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])(C[5a]N[5a]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6])	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>}	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	125.7950	0.000	1	125.7950	0.000	1	125.7950	0.000	1	127.6217	2.510	3	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(O)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6])	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	128.5350	0.122	2	128.5350	0.015	2	128.5350	0.015	2	127.6217	2.510	3	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](N[5a]C[5a,6]C[5a])(N[6]C[6]Pt)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H){2|C<3>,2|N<3>}	C[6](N[5a]C[5a,6]C[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	125.9767	5.765	8	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5,5a]-3:N[5a]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5,5a]H)2(C[6]C[6]2)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6])(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	N[5a](C[5a]C[5,5a]H)2(C[6]C[6]2){2|C<2>,2|H<1>,2|S<2>}	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6])(H){1|H<1>,1|S<2>,3|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<2>,2|C<3>,2|H<1>}	124.9325	0.221	2	124.9325	0.049	2	124.9325	0.049	2	125.9767	5.765	8	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a]N[5a,6]Re)(C[5a]C[5a,6]H)(C[6]C[6]N[6])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H)	C[6](N[5a]C[5a]2)(N[6]C[6]Re)(C[6]C[6]H)	N[5a](C[5a]N[5a,6]Re)(C[5a]C[5a,6]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[5a]C[5a]2)(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	127.9390	0.058	2	127.9390	0.003	2	127.9390	0.003	2	125.9767	5.765	8	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)2(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	N[5a](C[5a]C[5a]H)2(C[6]C[6]2){2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	126.1190	0.208	2	126.1190	0.043	2	126.1190	0.043	2	125.9767	5.765	8	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6]-3:N[6]-3:	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])(C[5a]N[5a]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	128.6640	0.000	1	128.6640	0.000	1	128.6640	0.000	1	125.9767	5.765	8	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[6]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2)	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](N[5a]C[5a,6]C[5a])(C[6]N[5a]C[6])(C[6]C[6]CuH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2){1|Cu<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](N[5a]C[5a,6]C[5a])(C[6]N[5a]C[6])(C[6]C[6]CuH){1|Cu<4>,2|H<1>,2|N<3>,5|C<3>}	127.3880	0.010	2	127.3880	0.000	2	127.3880	0.000	2	127.3880	0.000	2	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[6]-4:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O){1|C<4>,3|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	123.9130	0.000	1	123.9130	0.000	1	124.3418	0.656	6	124.3418	0.656	6	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[6]-4:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(O)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(O){1|C<4>,3|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	124.4276	0.874	5	124.4276	0.764	5	124.3418	0.656	6	124.3418	0.656	6	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:C[6]-3:C[6]-3:	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])	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	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>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	126.8150	0.433	2	126.8150	0.187	2	126.8150	0.187	2	126.8150	0.187	2	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]2)2(C[6]C[6]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	N[5a](C[5a]C[5a]2)2(C[6]C[6]2){1|C<2>,2|S<2>,3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|H<1>,5|C<3>}	125.5260	0.215	2	125.5260	0.046	2	125.5260	0.046	2	125.4267	0.029	4	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>,4|C<3>}	125.3120	0.000	1	125.3275	0.000	2	125.3275	0.000	2	125.4267	0.029	4	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP2_SP2_SP2	N[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>,4|C<3>}	125.3430	0.000	1	125.3275	0.000	2	125.3275	0.000	2	125.4267	0.029	4	127.2565	4.037	59	127.6303	7.366	264
813	727	762	0:SP3_SP2_SP2	N[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){3|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	125.3330	0.000	1	125.3330	0.000	1	125.3330	0.000	1	125.3330	0.000	1	125.3330	0.000	1	124.6042	1.190	6
813	727	762	0:SP3_SP2_SP2	N[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])2(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5a,6]C[5a,6]C[5a])2(O){7|C<3>}	126.0930	0.000	1	126.0930	0.000	1	126.0930	0.000	1	126.0930	0.000	1	126.0930	0.000	1	124.6042	1.190	6
813	727	762	0:SP3_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	124.3780	0.537	2	124.3780	0.289	2	124.0498	0.658	4	124.0498	0.658	4	124.0498	0.658	4	124.6042	1.190	6
813	727	762	0:SP3_SP2_SP2	N[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	123.7215	1.119	2	123.7215	1.253	2	124.0498	0.658	4	124.0498	0.658	4	124.0498	0.658	4	124.6042	1.190	6
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	N[5a,6]-3:C[6a]-3:C[6]-3:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6])	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(C[6]C[6]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]){3|C<4>,3|H<1>,4|C<3>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H){1|C<4>,5|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	119.8250	0.000	1	119.8250	0.000	1	119.8250	0.000	1	119.8250	0.000	1	122.4373	3.021	12	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	123.6000	0.000	1	124.2290	0.791	2	123.9457	0.636	3	123.9457	0.636	3	122.4373	3.021	12	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	124.8580	0.000	1	124.2290	0.791	2	123.9457	0.636	3	123.9457	0.636	3	122.4373	3.021	12	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	123.3790	0.000	1	123.3790	0.000	1	123.9457	0.636	3	123.9457	0.636	3	122.4373	3.021	12	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H){3|C<3>,3|C<4>}	120.6370	0.107	2	120.6370	0.012	2	120.6370	0.012	2	120.6370	0.012	2	122.4373	3.021	12	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:C-3:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|H<1>,4|C<3>,4|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO){3|C<3>,3|C<4>}	119.7610	0.000	1	119.7610	0.000	1	119.7610	0.000	1	119.7610	0.000	1	122.4373	3.021	12	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O){3|C<3>,3|C<4>}	123.7100	0.134	2	123.7100	0.018	2	123.3102	0.211	5	123.3102	0.211	5	122.4373	3.021	12	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){3|C<3>,3|C<4>}	122.6100	0.000	1	123.0437	0.146	3	123.3102	0.211	5	123.3102	0.211	5	122.4373	3.021	12	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){2|C<4>,4|C<3>}	123.2605	0.104	2	123.0437	0.146	3	123.3102	0.211	5	123.3102	0.211	5	122.4373	3.021	12	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6])	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O){4|C<3>}	120.6260	0.000	1	120.6260	0.000	1	120.6260	0.000	1	120.6260	0.000	1	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.3900	0.018	2	119.3900	0.000	2	119.4273	0.004	3	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H){1|B<3>,1|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	119.5020	0.000	1	119.5020	0.000	1	119.4273	0.004	3	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H){1|H<1>,1|S<2>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.9220	0.000	1	119.9220	0.000	1	119.5220	0.199	7	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.4553	0.448	6	119.4553	0.201	6	119.5220	0.199	7	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H){1|H<1>,2|S<2>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.1915	0.028	2	119.1915	0.001	2	118.8918	1.200	38	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H){1|H<1>,8|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	119.8615	0.391	6	119.8615	0.153	6	118.8918	1.200	38	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	119.1135	0.117	2	118.6242	1.302	28	118.8918	1.200	38	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|Cl<1>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.6100	0.000	1	118.6242	1.302	28	118.8918	1.200	38	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|Br<1>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.2790	0.000	1	118.6242	1.302	28	118.8918	1.200	38	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|H<1>,2|I<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.4680	1.319	2	118.6242	1.302	28	118.8918	1.200	38	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	118.4285	1.180	22	118.6242	1.302	28	118.8918	1.200	38	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H){1|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	119.4280	0.284	2	119.4280	0.081	2	118.8918	1.200	38	119.0171	1.032	48	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C){1|H<1>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	119.0654	1.053	50	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6,6]	3:3:2:	3:3:2:	3:3:3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6])	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6]){1|N<3>,4|C<3>}	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,5|C<3>}	126.5150	0.000	1	126.5150	0.000	1	126.5150	0.000	1	126.5150	0.000	1	124.1792	3.260	5	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	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,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[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){2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	123.5952	2.074	4	124.1792	3.260	5	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a,6]-3:C[6,6]-3:N[6]-3:	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Rh)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Rh)	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Rh){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Rh){1|N<3>,3|C<3>,3|H<1>}	125.5540	0.000	1	125.5540	0.000	1	124.3780	2.766	2	123.5952	2.074	4	124.1792	3.260	5	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a,6]-3:C[6,6]-3:N[6]-3:	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Ru)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Ru)	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Ru){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Ru<8>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Ru){1|N<3>,3|C<3>,3|H<1>}	123.2020	0.000	1	123.2020	0.000	1	124.3780	2.766	2	123.5952	2.074	4	124.1792	3.260	5	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6]){3|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|N<3>,6|C<3>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H){2|H<1>,6|C<3>}	122.1040	0.000	1	122.1040	0.000	1	122.1040	0.000	1	123.5952	2.074	4	124.1792	3.260	5	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:N[6]-2:N-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	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>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	121.7500	0.417	2	121.7500	0.174	2	121.7500	0.174	2	121.7500	0.174	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:2:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:C[6]-3:N-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,3|H<1>}	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>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.4910	0.000	1	124.4910	0.000	1	124.4910	0.000	1	124.4910	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:2:3:	3:4:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	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>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|N<2>}	125.9450	0.000	1	125.9450	0.000	1	125.9450	0.000	1	125.9450	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6]-3:N[6]-3:N[6]-2:	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6])	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2){1|H<1>,1|S<4>,3|C<4>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	123.5555	0.151	2	123.5555	0.023	2	123.5555	0.023	2	123.5555	0.023	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6]N[5a,6]N[6])(N[5a]C[5a,6])(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	N[5a,6](C[5a,6]N[5a,6]N[6])(N[5a]C[5a,6])(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[6]-2:N-3:	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N){4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH){4|C<3>}	122.7630	0.000	1	122.7630	0.000	1	122.7630	0.000	1	125.9982	19.273	4	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:S[6]-2:C-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH){4|C<3>}	129.7765	0.357	2	129.7765	0.128	2	129.7765	0.128	2	125.9982	19.273	4	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:N[6]-2:N-3:	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H){1|N<2>,3|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){2|C<3>,2|N<3>}	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	125.9982	19.273	4	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	122.8910	0.000	1	122.8910	0.000	1	122.8910	0.000	1	122.6875	0.083	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H)	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.4840	0.000	1	122.4840	0.000	1	122.4840	0.000	1	122.6875	0.083	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:N-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|H<1>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH){1|N<2>,3|C<3>}	125.6320	0.000	1	125.6320	0.000	1	125.6320	0.000	1	123.2955	10.918	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:C[6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(N[6]C[6]Pd)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(C[6]C[6]Pd)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(N[6]C[6]Pd){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(C[6]C[6]Pd){1|N<3>,2|H<1>,4|C<3>}	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	123.2955	10.918	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:2:3:	3:4:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[6]-2:N-3:	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,3|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	123.1490	0.236	2	123.1490	0.056	2	123.1490	0.056	2	123.1490	0.056	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a,6]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:	N[5a,6](C[5a,6]N[5a,6]N[6])(C[6]C[6a]C[6])(N[5a]C[5a,6])	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)	N[5a,6](C[5a,6]N[5a,6]N[6])(C[6]C[6a]C[6])(N[5a]C[5a,6]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	121.3205	0.015	2	121.3205	0.000	2	121.3205	0.000	2	121.3205	0.000	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a,6]-3:C[6,6a]-3:O-1:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	127.2620	0.000	1	127.2620	0.000	1	127.2620	0.000	1	127.2620	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a,6]-3:N[6]-3:N-2:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a])	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a]){1|N<3>,2|N<2>,4|C<3>}	124.0540	0.000	1	124.0540	0.000	1	124.0540	0.000	1	126.0305	7.813	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a,6]-3:C[6,6a]-3:N-2:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	128.0070	0.000	1	128.0070	0.000	1	128.0070	0.000	1	126.0305	7.813	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a,6]-3:C[6a]-3:C[6]-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])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	124.3487	0.163	3	124.3487	0.027	3	124.3487	0.027	3	124.3487	0.027	3	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a,6]-3:C[6]-3:C-4:	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])	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3)	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>}	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>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	121.7845	2.176	2	121.7845	4.734	2	121.7845	4.734	2	121.1373	3.623	3	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:O[5a]-2:N[6]-2:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C){1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	119.8430	0.000	1	119.8430	0.000	1	119.8430	0.000	1	121.1373	3.623	3	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,5a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	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)	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H)	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>}	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>}	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	122.0402	0.610	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	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)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	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>}	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>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.5120	0.000	1	120.5120	0.000	1	121.8470	1.338	3	122.0402	0.610	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	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)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	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>}	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>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.5490	0.000	1	122.5490	0.000	1	121.8470	1.338	3	122.0402	0.610	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	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)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	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>}	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>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	122.4800	0.000	1	122.4800	0.000	1	121.8470	1.338	3	122.0402	0.610	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[6]-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]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	122.2070	0.000	1	122.2070	0.000	1	122.3645	0.050	2	122.0402	0.610	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[6]-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]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	122.5220	0.000	1	122.5220	0.000	1	122.3645	0.050	2	122.0402	0.610	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:O[5a]-2:C[6]-3:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<2>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.0270	0.000	1	122.0270	0.000	1	121.9995	0.002	2	121.9995	0.002	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:O[5a]-2:C[6]-3:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.9720	0.000	1	121.9720	0.000	1	121.9995	0.002	2	121.9995	0.002	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:C[6]-4:O-1:	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)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6]-3:C[6]-3:N-3:	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)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<2>,4|C<3>}	121.9590	0.000	1	121.9590	0.000	1	121.9590	0.000	1	123.1140	2.668	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]S[6]H)	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>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]S[6]HH){4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]S[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	124.2690	0.000	1	124.2690	0.000	1	124.2690	0.000	1	123.1140	2.668	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:S[6]-2:N-2:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC){1|N<2>,4|C<3>}	127.7360	0.000	1	127.7360	0.000	1	127.7360	0.000	1	127.7360	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[6]-2:N-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)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH){1|N<2>,4|C<3>}	121.0940	0.000	1	121.0940	0.000	1	121.0940	0.000	1	121.0940	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[6]-3:O-1:	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])	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O)	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>}	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>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	124.3820	0.000	1	124.3820	0.000	1	124.3820	0.000	1	124.7222	2.322	5	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:O-1:	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])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O){1|N<2>,2|H<1>,4|C<3>}	125.9520	0.000	1	125.9520	0.000	1	125.9520	0.000	1	124.7222	2.322	5	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:O-1:	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])	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O)	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>}	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>}	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>}	126.6380	0.000	1	126.6380	0.000	1	126.6380	0.000	1	124.7222	2.322	5	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-3:H-1:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]H)(H)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]H)(H){1|N<2>,4|C<3>}	123.4820	0.000	1	123.4820	0.000	1	123.4820	0.000	1	124.7222	2.322	5	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:N[5a]-2:	N[5a,6]-3:C[6]-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]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|N<2>,4|C<3>}	123.1570	0.000	1	123.1570	0.000	1	123.1570	0.000	1	124.7222	2.322	5	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	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])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2){1|Rh<4>,1|H<1>,1|N<2>,1|N<3>,2|C<4>,5|C<3>}	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	121.4042	1.582	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	123.2720	0.000	1	123.2720	0.000	1	122.8095	0.428	2	121.4042	1.582	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(C[6a]C[6a]2)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	122.3470	0.000	1	122.3470	0.000	1	122.8095	0.428	2	121.4042	1.582	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	120.1060	0.317	2	120.1060	0.100	2	120.5500	0.642	3	121.4042	1.582	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	121.4380	0.000	1	121.4380	0.000	1	120.5500	0.642	3	121.4042	1.582	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3){1|N<2>,4|C<3>}	123.6020	0.000	1	123.6020	0.000	1	123.2685	0.222	2	123.2685	0.222	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3){1|N<2>,4|C<3>}	122.9350	0.000	1	122.9350	0.000	1	123.2685	0.222	2	123.2685	0.222	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	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>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	126.4050	0.000	1	126.4050	0.000	1	126.4050	0.000	1	125.4992	0.275	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:O-1:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	125.5410	0.057	3	125.5410	0.003	3	125.3180	0.097	5	125.4992	0.275	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:O-1:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O){1|N<2>,4|C<3>}	124.9835	0.101	2	124.9835	0.010	2	125.3180	0.097	5	125.4992	0.275	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:O[6]-2:N-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N){3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a]){5|C<3>}	123.9900	0.000	1	123.9900	0.000	1	123.9900	0.000	1	123.9900	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6,6a]H)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6,6a]H)(H){5|C<3>}	122.8050	0.000	1	122.8050	0.000	1	122.8050	0.000	1	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H){1|H<1>,4|C<3>}	122.7550	0.000	1	122.7550	0.000	1	121.6596	0.672	5	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	121.4225	0.112	2	121.6530	0.166	3	121.6596	0.672	5	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	122.1140	0.000	1	121.6530	0.166	3	121.6596	0.672	5	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>}	120.5840	0.000	1	120.5840	0.000	1	121.6596	0.672	5	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H){1|H<1>,6|C<3>}	121.9720	0.000	1	121.9720	0.000	1	121.9720	0.000	1	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H)	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H)	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>}	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H){1|C<4>,1|N<2>,3|C<3>}	122.2130	0.000	1	122.2130	0.000	1	122.2130	0.000	1	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]H)(H)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]H)(H){5|C<3>}	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])2(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O){1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])2(O){7|C<3>}	120.0890	0.000	1	120.0890	0.000	1	120.0890	0.000	1	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.8970	0.000	1	121.8970	0.000	1	121.3398	0.457	9	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	121.3022	0.803	6	121.3022	0.644	6	121.3398	0.457	9	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	121.1740	0.245	2	121.1740	0.060	2	121.3398	0.457	9	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.5010	0.423	2	121.5010	0.179	2	121.5010	0.179	2	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	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])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.7245	0.291	2	120.7245	0.084	2	121.1746	0.790	8	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.7280	0.000	1	119.7280	0.000	1	121.1746	0.790	8	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.1230	0.000	1	121.1230	0.000	1	121.1746	0.790	8	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H){1|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	121.7760	0.000	1	121.7760	0.000	1	121.1746	0.790	8	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	121.7960	0.000	1	121.7960	0.000	1	121.1746	0.790	8	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	121.7625	1.227	2	121.7625	1.505	2	121.1746	0.790	8	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-3:	C[6,6a]-3:N[5a,6]-3:O-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O)	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O){1|H<1>,1|N<3>,5|C<3>}	124.1300	0.000	1	124.1300	0.000	1	124.1300	0.000	1	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H){5|C<3>}	122.5340	0.000	1	122.5340	0.000	1	122.5340	0.000	1	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){5|C<3>}	122.9600	0.000	1	122.9600	0.000	1	122.9600	0.000	1	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.4840	0.000	1	121.4840	0.000	1	121.2820	0.149	3	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.5250	0.000	1	121.5250	0.000	1	121.2820	0.149	3	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H){1|O<1>,4|C<3>}	120.8370	0.000	1	120.8370	0.000	1	121.2820	0.149	3	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O){1|C<4>,4|C<3>}	123.4125	0.301	2	123.4125	0.090	2	123.4125	0.090	2	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(N[6]C[6,6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(N[6]C[6,6a]C){1|O<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	125.5500	0.000	1	125.5500	0.000	1	125.5500	0.000	1	121.7494	1.356	38	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:S-2:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a])	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5455	0.449	2	121.5455	0.202	2	121.5455	0.202	2	121.5455	0.202	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:S-3:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]Rh)(C[6]C[6]S)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]Rh)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]Rh)(C[6]C[6]S){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,1|S<3>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]Rh){1|C<4>,1|N<3>,2|C<3>}	125.1890	0.000	1	125.1890	0.000	1	125.1890	0.000	1	122.6647	1.859	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6,6]-3:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H){2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,5|C<3>}	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	122.6647	1.859	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	121.6780	0.000	1	121.6780	0.000	1	121.6780	0.000	1	122.6647	1.859	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-3:	N[5a,6]-3:C[6]-3:C[6a]-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])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	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>,1|I<1>,7|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	122.2660	0.823	3	122.2660	0.677	3	122.2660	0.677	3	122.6647	1.859	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[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])(C[5a]C[5a,6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,3|C<4>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	125.0730	0.000	1	125.0730	0.000	1	125.3708	0.154	5	125.3708	0.154	5	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[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])(C[5a]C[5a,6a]C[6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	125.4453	0.410	4	125.4453	0.168	4	125.3708	0.154	5	125.3708	0.154	5	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:N-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N){2|F<1>,2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]FF)(NC[6a]){5|C<3>}	124.9140	0.000	1	124.9140	0.000	1	124.9140	0.000	1	124.9140	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-4:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H){2|H<1>,3|C<3>}	120.6890	0.000	1	120.6890	0.000	1	120.2125	0.454	2	120.2125	0.454	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-4:C-3:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|O<1>,1|O<2>,4|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H){1|H<1>,3|C<3>}	119.7360	0.000	1	119.7360	0.000	1	120.2125	0.454	2	120.2125	0.454	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[6]-2:O-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O)	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>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	125.3070	0.000	1	125.3070	0.000	1	125.3070	0.000	1	125.3070	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[6]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	124.9600	0.000	1	124.9600	0.000	1	124.9600	0.000	1	124.9600	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	125.8150	0.000	1	126.0407	0.324	3	125.3073	0.478	9	125.3073	0.478	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	126.1535	0.756	2	126.0407	0.324	3	125.3073	0.478	9	125.3073	0.478	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	124.6955	0.493	2	124.6955	0.243	2	125.3073	0.478	9	125.3073	0.478	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	125.1575	0.124	2	125.1575	0.015	2	125.3073	0.478	9	125.3073	0.478	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	124.9690	0.535	2	124.9690	0.286	2	125.3073	0.478	9	125.3073	0.478	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:H-1:	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])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	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>}	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>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-4:O-1:	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])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	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>}	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>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	125.9250	0.033	2	125.9250	0.001	2	125.9250	0.001	2	125.9250	0.001	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	N[5a,6]-3:N[6]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O){2|C<4>,4|C<3>}	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	125.2825	0.020	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[6]-3:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O){1|C<4>,2|H<1>,3|C<3>}	125.1830	0.000	1	125.1830	0.000	1	125.1830	0.000	1	125.2825	0.020	2	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	N[5a,6]-3:C[6,6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	125.0770	0.000	1	125.0770	0.000	1	125.0770	0.000	1	124.6137	0.161	3	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O){1|C<4>,3|C<3>}	124.3820	0.000	2	124.3820	0.000	2	124.3820	0.000	2	124.6137	0.161	3	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	4:3:2:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:C-3:	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])	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH)	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>}	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>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	125.2000	0.000	1	125.2000	0.000	1	125.2000	0.000	1	125.2000	0.000	1	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.6630	0.000	1	120.6630	0.000	1	120.9360	0.149	2	120.9927	0.170	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|F<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	121.2090	0.000	1	121.2090	0.000	1	120.9360	0.149	2	120.9927	0.170	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.9927	0.170	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:B[5a]-4:C[6]-3:	N[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H)	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	120.4780	0.000	1	120.4780	0.000	1	120.4780	0.000	1	120.9927	0.170	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:B[5a]-4:C[6]-3:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|O<1>,2|F<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	121.3815	0.325	2	121.3815	0.105	2	121.3815	0.105	2	120.9927	0.170	6	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5,5a]-4:C[5a,6]-3:C[6]-3:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]B[5,5a]C[5a,6])(C[6]C[6]H)(H)	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](N[5a,6]B[5,5a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	120.2395	0.202	2	120.2395	0.041	2	120.2395	0.041	2	120.3300	0.183	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.8850	0.000	2	120.4296	0.314	5	120.4133	0.253	6	120.3300	0.183	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.1260	0.532	3	120.4296	0.314	5	120.4133	0.253	6	120.3300	0.183	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,2|N<2>,5|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.3320	0.000	1	120.3320	0.000	1	120.4133	0.253	6	120.3300	0.183	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H){1|B<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|B<3>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	120.3300	0.183	9	122.9398	4.635	150	122.0479	6.376	217
813	727	762	6:SP3_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])2(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])2(O){7|C<3>}	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	117.6855	13.829	2	117.6855	13.829	2
813	727	762	6:SP3_SP2_SP2	N[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[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])(C[5a]C[5a,6a]C[6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){3|C<4>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	117.6855	13.829	2	117.6855	13.829	2
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:B-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	127.1437	0.628	3	127.1437	0.394	3	127.1437	0.394	3	128.8503	7.635	8	128.8503	7.635	8	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	126.3210	0.000	1	126.3210	0.000	1	129.8742	9.669	5	128.8503	7.635	8	128.8503	7.635	8	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B){1|C<3>,4|H<1>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	134.7290	0.000	1	134.7290	0.000	1	129.8742	9.669	5	128.8503	7.635	8	128.8503	7.635	8	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	130.4410	0.000	1	129.4403	0.958	3	129.8742	9.669	5	128.8503	7.635	8	128.8503	7.635	8	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){2|C<3>,3|H<1>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	128.4850	0.000	1	129.4403	0.958	3	129.8742	9.669	5	128.8503	7.635	8	128.8503	7.635	8	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	129.3950	0.000	1	129.4403	0.958	3	129.8742	9.669	5	128.8503	7.635	8	128.8503	7.635	8	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a]	B	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:B-3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	B(N[5a]C[5a]N[5a])3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	B(N[5a]C[5a]N[5a])3	130.8160	1.095	3	130.8160	1.199	3	130.8160	1.199	3	130.8160	1.199	3	127.6672	28.379	9	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a]	B	3:2:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-2:B-3:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	B(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3){1|C<4>}	B(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	136.6640	0.000	1	136.6640	0.000	1	136.6640	0.000	1	136.6640	0.000	1	127.6672	28.379	9	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)(H)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)(H){2|C<3>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	123.4870	0.000	1	123.4870	0.000	1	123.1020	10.184	4	123.1020	10.184	4	127.6672	28.379	9	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(H)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(H){4|C<3>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	125.4010	0.000	1	125.4010	0.000	1	123.1020	10.184	4	123.1020	10.184	4	127.6672	28.379	9	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){2|C<3>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	118.4800	0.000	1	121.7600	21.517	2	123.1020	10.184	4	123.1020	10.184	4	127.6672	28.379	9	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){2|C<3>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	125.0400	0.000	1	121.7600	21.517	2	123.1020	10.184	4	123.1020	10.184	4	127.6672	28.379	9	128.2239	17.900	17
813	727	770	0:SP2_SP2_SP2	N[5a]	C[5a]	B	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(CH3)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(CH3){2|C<3>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	127.4850	0.000	1	127.4850	0.000	1	127.4850	0.000	1	127.4850	0.000	1	127.6672	28.379	9	128.2239	17.900	17
813	727	786	0:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[5,6]	4:3:3:	3:3:3:	3:3:2:2:	B[5,6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5,6a]-3:N[5a,6]-3:O[6]-2:O[5]-2:	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5])	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<3>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5]){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	128.8475	1.257	2	128.8475	1.579	2	128.8475	1.579	2	128.8475	1.579	2	128.8475	1.579	2	127.4255	2.227	16
813	727	786	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[5,6]	4:3:3:	3:3:1:	3:3:2:2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(H)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	125.7560	0.414	2	125.3473	0.426	4	125.3473	0.426	4	125.3473	0.426	4	127.2224	2.092	14	127.4255	2.227	16
813	727	786	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[5,6]	4:3:3:	3:3:1:	3:3:2:2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(H)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{2|C<4>,4|H<1>,5|C<3>}	124.9385	0.663	2	125.3473	0.426	4	125.3473	0.426	4	125.3473	0.426	4	127.2224	2.092	14	127.4255	2.227	16
813	727	786	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[5,6]	4:3:3:	3:3:4:	3:3:3:3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]C)(CH3)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|F<1>,9|C<3>}	128.8040	0.193	4	128.8040	0.037	4	127.9724	0.692	10	127.9724	0.692	10	127.2224	2.092	14	127.4255	2.227	16
813	727	786	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[5,6]	4:3:3:	3:3:4:	3:3:3:3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	126.7600	0.061	2	127.4180	0.302	6	127.9724	0.692	10	127.9724	0.692	10	127.2224	2.092	14	127.4255	2.227	16
813	727	786	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[5,6]	4:3:3:	3:3:4:	3:3:3:3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	127.7470	0.263	4	127.4180	0.302	6	127.9724	0.692	10	127.9724	0.692	10	127.2224	2.092	14	127.4255	2.227	16
813	727	786	5:SP2_SP2_SP3	N[5,5a]	C[5,5a]	B[5]	3:4:2:	3:3:4:	3:3:3:3:	C[5,5a]-3:B[5]-4:N[5a]-2:	N[5,5a]-3:C[5a]-3:P[5]-4:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5,5a](C[5,5a]C[5a]P[5])(B[5]C[6a]2N[5])(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]B[5])(C[5a]C[6a]N[5a])(P[5]C[6a]2N[5])	B[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(N[5]P[5]H)	N[5,5a](C[5,5a]C[5a]P[5])(B[5]C[6a]2N[5])(N[5a]N[5a]){1|H<1>,7|C<3>}	C[5,5a](N[5,5a]N[5a]B[5])(C[5a]C[6a]N[5a])(P[5]C[6a]2N[5]){1|H<1>,8|C<3>}	B[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(N[5]P[5]H){1|N<2>,4|F<1>,7|C<3>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1
813	727	786	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[5,6]	4:3:3:	3:3:3:	3:3:2:2:	B[5,6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:O[6]-2:O[5]-2:	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5])	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<3>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H){1|H<1>,2|O<2>,5|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5]){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	122.5650	2.035	2	122.5650	4.141	2	122.5650	4.141	2	125.3837	5.847	6	125.1484	2.325	15	125.1484	2.325	15
813	727	786	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[5,6]	4:3:3:	3:3:3:	3:3:2:2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	126.3445	0.672	2	126.7930	0.420	4	126.7930	0.420	4	125.3837	5.847	6	125.1484	2.325	15	125.1484	2.325	15
813	727	786	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[5,6]	4:3:3:	3:3:3:	3:3:2:2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{2|C<4>,4|H<1>,5|C<3>}	127.2415	0.054	2	126.7930	0.420	4	126.7930	0.420	4	125.3837	5.847	6	125.1484	2.325	15	125.1484	2.325	15
813	727	786	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[5,6]	4:3:3:	3:3:3:	3:3:3:3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	125.7035	0.245	2	125.7035	0.060	2	124.9916	0.345	9	124.9916	0.345	9	125.1484	2.325	15	125.1484	2.325	15
813	727	786	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[5,6]	4:3:3:	3:3:3:	3:3:3:3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	125.0987	0.275	4	124.7881	0.232	7	124.9916	0.345	9	124.9916	0.345	9	125.1484	2.325	15	125.1484	2.325	15
813	727	786	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[5,6]	4:3:3:	3:3:3:	3:3:3:3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|F<1>,9|C<3>}	124.3740	0.364	3	124.7881	0.232	7	124.9916	0.345	9	124.9916	0.345	9	125.1484	2.325	15	125.1484	2.325	15
813	727	790	0:SP2_SP-NON_SP2	N[5a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H)	Cl(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Cl(N[5a]C[5a,6a]N[5a])	127.4580	0.000	1	127.4580	0.000	1	127.4580	0.000	1	127.4580	0.000	1	127.4580	0.000	1	127.4580	0.000	1
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:2:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<2>,2|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	132.5670	0.000	1	132.5670	0.000	1	132.5670	0.000	1	134.0680	1.885	3	133.0994	1.381	10	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:2:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	134.8185	0.624	2	134.8185	0.390	2	134.8185	0.390	2	134.0680	1.885	3	133.0994	1.381	10	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,3|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	133.4460	0.642	2	133.4460	0.412	2	133.1030	0.559	3	133.1030	0.559	3	133.0994	1.381	10	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,3|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	132.4170	0.000	1	132.4170	0.000	1	133.1030	0.559	3	133.1030	0.559	3	133.0994	1.381	10	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:4:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	132.7670	0.865	2	132.7670	0.749	2	132.3702	0.868	4	132.3702	0.868	4	133.0994	1.381	10	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:4:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	131.1910	0.000	1	131.1910	0.000	1	132.3702	0.868	4	132.3702	0.868	4	133.0994	1.381	10	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:4:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	132.7560	0.000	1	132.7560	0.000	1	132.3702	0.868	4	132.3702	0.868	4	133.0994	1.381	10	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6a,6a]	4:3:3:	3:3:4:	3:3:3:1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:C-4:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CC3)	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	136.3660	1.846	2	136.3660	3.406	2	136.8215	0.988	6	136.8215	0.988	6	136.8215	0.988	6	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6a,6a]	4:3:3:	3:3:4:	3:3:3:1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:C-4:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3)	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	137.2820	0.830	2	137.2820	0.689	2	136.8215	0.988	6	136.8215	0.988	6	136.8215	0.988	6	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6,6a]	C[5a]	B[6,6a,6a]	4:3:3:	3:3:4:	3:3:3:1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:C-4:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CH3)	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	136.8165	0.057	2	136.8165	0.003	2	136.8215	0.988	6	136.8215	0.988	6	136.8215	0.988	6	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6,6a]	4:3:3:	3:3:4:	3:3:3:3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	125.9890	0.192	2	126.9382	0.618	6	126.9382	0.618	6	126.9382	0.618	6	126.9382	0.618	6	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6,6a]	4:3:3:	3:3:4:	3:3:3:3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	127.5305	0.422	2	126.9382	0.618	6	126.9382	0.618	6	126.9382	0.618	6	126.9382	0.618	6	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6,6a]	4:3:3:	3:3:4:	3:3:3:3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|S<2>,2|C<4>,2|H<1>,9|C<3>}	127.2950	0.338	2	126.9382	0.618	6	126.9382	0.618	6	126.9382	0.618	6	126.9382	0.618	6	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a,6a]	C[5a]	B[3x6a]	4:3:3:	3:3:1:	3:3:3:3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	N[5a,6a,6a]-3:C[5a]-3:H-1:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	134.2120	0.000	1	134.2120	0.000	1	134.2120	0.000	1	133.1405	2.296	2	133.1405	2.296	2	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a,6a]	C[5a]	B[3x6a]	4:3:3:	3:3:1:	3:3:3:3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	N[5a,6a,6a]-3:C[5a]-3:H-1:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	132.0690	0.000	1	132.0690	0.000	1	132.0690	0.000	1	133.1405	2.296	2	133.1405	2.296	2	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|Cl<1>,1|B<4>,1|C<4>,2|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	123.7140	0.000	1	123.7140	0.000	1	123.7140	0.000	1	123.7147	0.966	3	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|B<3>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	124.6980	0.000	1	123.7150	1.933	2	123.7150	1.933	2	123.7147	0.966	3	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|P<3>,2|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	122.7320	0.000	1	123.7150	1.933	2	123.7150	1.933	2	123.7147	0.966	3	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:1:	3:3:3:2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	124.5510	0.000	1	124.5510	0.000	1	123.9159	0.218	7	123.9159	0.218	7	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:1:	3:3:3:2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a])	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	123.7165	0.475	4	123.7165	0.226	4	123.9159	0.218	7	123.9159	0.218	7	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:1:	3:3:3:2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6])	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	123.9970	0.231	2	123.9970	0.053	2	123.9159	0.218	7	123.9159	0.218	7	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:B[5]-3:	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2)	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<3>,1|B<4>,1|C<4>,2|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2){1|B<4>,1|N<3>,3|C<4>,3|H<1>,5|C<3>}	123.8440	0.000	1	123.8440	0.000	1	123.8440	0.000	1	122.6510	5.833	4	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2)	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|P<3>,2|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	125.3460	0.000	1	125.3460	0.000	1	125.3460	0.000	1	122.6510	5.833	4	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2{1|Ge<3>,2|N<3>,6|C<3>,6|H<1>}	120.7070	1.120	2	120.7070	1.255	2	120.7070	1.255	2	122.6510	5.833	4	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:3:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,2|N<3>,7|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	124.8640	0.000	1	124.8640	0.000	1	124.8640	0.000	1	123.4923	1.422	3	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP2_SP2_SP3	N[5a,6a]	C[5a]	B[6a]	4:3:3:	3:3:3:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:F-1:	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<4>,1|F<1>,1|N<3>,2|H<1>,6|C<3>}	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	122.8065	0.148	2	122.8065	0.022	2	122.8065	0.022	2	123.4923	1.422	3	123.5080	1.738	17	128.7675	28.900	41
813	727	811	0:SP3_SP2_SP3	N[5a,6a,6a]	C[5a,6a]	B[3x6a]	4:3:3:	3:3:3:	3:3:3:3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a,6a]-3:	N[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|N<3>,7|C<3>}	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,2|N<3>,3|C<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	132.0600	0.000	1	132.0600	0.000	1	132.0600	0.000	1	132.0600	0.000	1	132.0600	0.000	1	129.0270	18.398	2
813	727	811	0:SP3_SP2_SP3	N[5a,6a]	C[5a]	B[6,6a]	4:3:3:	3:3:2:	3:3:3:3:	B[6,6a]-4:B[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-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])	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	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>}	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>}	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	125.9940	0.000	1	125.9940	0.000	1	125.9940	0.000	1	125.9940	0.000	1	125.9940	0.000	1	129.0270	18.398	2
813	727	811	6:SP2_SP2_SP3	N[5,6,6a]	C[5,6,6a]	B[6,6,6a]	4:3:4:	4:3:2:	3:3:4:3:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	N[5,6,6a]-3:N[5,6,6a]-3:C[6,6]-4:C[6a]-3:	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>,4|H<1>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>,3|H<1>,6|C<4>}	114.0627	0.889	4	114.0627	0.790	4	114.0627	0.790	4	114.0627	0.790	4	114.2220	0.698	6	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5,6,6a]	C[5,6,6a]	B[6,6,6a]	4:3:4:	4:3:2:	4:3:3:3:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	C[5,3x6]-4:N[5,6,6a]-3:N[5,6,6a]-3:C[6a]-3:	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2)	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,2|O<2>,4|H<1>,9|C<4>}	114.5405	0.902	2	114.5405	0.813	2	114.5405	0.813	2	114.5405	0.813	2	114.2220	0.698	6	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5,6a,6a]	C[5,6a,6a]	B[3x6a]	4:3:3:	4:3:3:	3:3:3:3:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a]-3:	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|N<3>,3|H<1>,7|C<3>}	117.0100	0.000	1	117.0100	0.000	1	117.0100	0.000	1	116.0415	1.876	2	116.0415	1.876	2	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5,6a,6a]	C[5,6a,6a]	B[3x6a]	4:3:3:	4:3:3:	3:3:3:3:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>,3|N<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1	116.0415	1.876	2	116.0415	1.876	2	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5,6a]	C[5,6a,6a]	B[6a]	3:4:2:	3:3:3:	3:3:3:3:	C[5,6a,6a]-3:B[6a]-4:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5,6a]-3:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5])	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5])	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5]){8|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5]){2|H<1>,5|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2{1|H<1>,1|N<2>,4|F<1>,8|C<3>}	123.3245	0.176	2	123.3245	0.031	2	123.3245	0.031	2	123.3245	0.031	2	123.3245	0.031	2	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5,6a]	C[5,6a]	B[6a]	4:3:4:	4:3:2:	3:3:3:3:	B[6a]-4:C[5,6a]-3:C[5]-4:	B[6a]-4:N[5,6a]-3:O[5]-2:	N[5,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC)	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5])	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2{1|B<4>,2|O<2>,4|C<3>,4|H<1>,6|C<4>}	125.9075	0.394	4	125.9075	0.155	4	125.9075	0.155	4	125.9075	0.155	4	125.9075	0.155	4	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6,6a]	C[5a,6,6a]	B[6,6,6a]	4:3:3:	4:3:3:	3:3:2:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|N<2>,2|H<1>,6|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	116.2500	0.000	1	116.2500	0.000	1	116.2500	0.000	1	114.8473	1.494	3	116.6964	2.614	10	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6,6a]	C[5a,6,6a]	B[6,6,6a]	4:3:3:	4:3:3:	3:3:2:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	114.1460	0.190	2	114.1460	0.036	2	114.1460	0.036	2	114.8473	1.494	3	116.6964	2.614	10	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6,6a]	C[5a,6,6a]	B[6,6,6a]	4:3:3:	4:3:3:	3:3:3:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,8|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	116.2815	0.176	2	116.2815	0.031	2	116.9173	1.228	3	116.9173	1.228	3	116.6964	2.614	10	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6,6a]	C[5a,6,6a]	B[6,6,6a]	4:3:3:	4:3:3:	3:3:3:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,6|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	118.1890	0.000	1	118.1890	0.000	1	116.9173	1.228	3	116.9173	1.228	3	116.6964	2.614	10	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6,6a]	C[5a,6,6a]	B[6,6,6a]	4:3:3:	4:3:3:	3:3:4:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	117.7765	0.129	2	117.7765	0.017	2	117.9175	0.570	4	117.9175	0.570	4	116.6964	2.614	10	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6,6a]	C[5a,6,6a]	B[6,6,6a]	4:3:3:	4:3:3:	3:3:4:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,4|H<1>,5|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	118.9570	0.000	1	118.9570	0.000	1	117.9175	0.570	4	117.9175	0.570	4	116.6964	2.614	10	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6,6a]	C[5a,6,6a]	B[6,6,6a]	4:3:3:	4:3:3:	3:3:4:3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,3|H<1>,6|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	117.1600	0.000	1	117.1600	0.000	1	117.9175	0.570	4	117.9175	0.570	4	116.6964	2.614	10	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6,6a]	4:3:3:	3:3:3:	3:3:3:3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	126.0960	0.000	1	126.0960	0.000	1	125.5880	0.127	5	125.5880	0.127	5	125.5880	0.127	5	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6,6a]	4:3:3:	3:3:3:	3:3:3:3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	125.3005	0.286	2	125.4610	0.062	4	125.5880	0.127	5	125.5880	0.127	5	125.5880	0.127	5	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6,6a]	4:3:3:	3:3:3:	3:3:3:3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|S<2>,2|C<4>,2|H<1>,9|C<3>}	125.6215	0.023	2	125.4610	0.062	4	125.5880	0.127	5	125.5880	0.127	5	125.5880	0.127	5	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a,6a]	C[5a,6a,6a]	B[3x6a]	4:3:3:	4:3:3:	3:3:3:3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|C<2>,1|N<3>,2|H<1>,5|C<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	115.2890	0.000	1	115.2890	0.000	1	115.2890	0.000	1	116.7020	3.993	2	116.7020	3.993	2	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a,6a]	C[5a,6a,6a]	B[3x6a]	4:3:3:	4:3:3:	3:3:3:3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|N<3>,2|H<1>,6|C<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	118.1150	0.000	1	118.1150	0.000	1	118.1150	0.000	1	116.7020	3.993	2	116.7020	3.993	2	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	3:3:3:	3:3:3:3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:Ge[6a]-3:N[5a]-3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]B[6a]C[5a])(Ge[6a]C[5a,6a]Cl)(N[5a]C[5a]C)	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]B[6a]C[5a])(Ge[6a]C[5a,6a]Cl)(N[5a]C[5a]C){2|C<3>,2|H<1>,2|N<3>}	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2{1|Ge<3>,2|N<3>,6|C<3>,6|H<1>}	130.0495	0.071	2	130.0495	0.005	2	130.0495	0.005	2	130.0495	0.005	2	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,2|N<3>,7|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	125.4620	0.000	1	125.4620	0.000	1	126.5775	2.489	2	126.7547	0.835	6	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|Cl<1>,2|H<1>,5|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	127.6930	0.000	1	127.6930	0.000	1	126.5775	2.489	2	126.7547	0.835	6	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|B<3>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){2|O<2>,3|H<1>,5|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	126.6010	0.000	1	126.6010	0.000	1	127.2530	0.850	2	126.7547	0.835	6	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|P<3>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){3|H<1>,5|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	127.9050	0.000	1	127.9050	0.000	1	127.2530	0.850	2	126.7547	0.835	6	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:F-1:	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|F<1>,2|N<3>,7|C<3>}	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	126.4335	0.261	2	126.4335	0.068	2	126.4335	0.068	2	126.7547	0.835	6	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	127.1910	0.000	1	127.1910	0.000	1	126.9967	0.129	7	126.9967	0.129	7	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a])	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	127.0365	0.419	4	127.0365	0.176	4	126.9967	0.129	7	126.9967	0.129	7	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6])	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	126.8200	0.375	2	126.8200	0.140	2	126.9967	0.129	7	126.9967	0.129	7	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:B[5]-3:	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2)	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|B<3>,2|H<1>,5|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2){1|B<4>,1|N<3>,3|C<4>,3|H<1>,5|C<3>}	126.8670	0.000	1	126.8670	0.000	1	126.8670	0.000	1	126.6145	0.128	2	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	B[6a]	4:3:3:	4:3:3:	3:3:3:3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2)	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|P<3>,2|H<1>,5|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	126.3620	0.000	1	126.3620	0.000	1	126.3620	0.000	1	126.6145	0.128	2	127.2255	1.467	17	122.0591	30.250	48
813	727	811	6:SP3_SP2_SP3	N[5a,6a,6a]	C[5a,6a,6a]	B[3x6a]	4:3:3:	4:3:3:	3:3:3:3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a,6a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:C[5a]-3:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|N<3>,7|C<3>}	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N){2|N<3>,7|C<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1
813	727	813	0:SP2_SP2_SP2	N[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-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])	C[5a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N[6a])(N[5a]N[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])	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>}	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,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>}	134.5640	0.861	2	134.5640	0.742	2	134.5640	0.742	2	134.5640	0.742	2	134.5640	0.742	2	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	128.2840	0.462	2	128.2840	0.214	2	128.2840	0.214	2	128.2840	0.214	2	124.6257	2.479	16	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){2|H<1>,8|C<3>}	124.0355	0.553	8	123.9228	0.304	12	123.9228	0.304	12	124.1031	0.491	14	124.6257	2.479	16	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){2|H<1>,8|C<3>}	123.6975	0.545	4	123.9228	0.304	12	123.9228	0.304	12	124.1031	0.491	14	124.6257	2.479	16	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(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){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|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>}	125.1845	0.558	2	125.1845	0.311	2	125.1845	0.311	2	124.1031	0.491	14	124.6257	2.479	16	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H)	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H){1|N<2>,3|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	128.5720	0.000	1	128.5720	0.000	1	127.9145	0.865	2	127.9145	0.865	2	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H)	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	127.2570	0.000	1	127.2570	0.000	1	127.9145	0.865	2	127.9145	0.865	2	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	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)	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2)	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2){2|N<2>,4|H<1>}	126.9787	0.221	3	126.9787	0.049	3	126.9877	0.060	7	126.9877	0.060	7	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	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)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2)	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>}	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]C)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|H<1>}	126.9945	0.294	4	126.9945	0.087	4	126.9877	0.060	7	126.9877	0.060	7	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(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){1|H<1>,1|N<2>,5|C<3>}	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])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,5|C<3>}	126.2980	0.136	2	126.2980	0.018	2	126.2980	0.018	2	126.2980	0.018	2	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N[5a]-3:	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)	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|C<4>}	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)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	127.1527	0.390	3	127.1527	0.152	3	126.7899	0.757	11	126.7899	0.757	11	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N[5a]-3:	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)	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|H<1>}	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]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	126.6720	0.239	2	126.6720	0.057	2	126.7899	0.757	11	126.7899	0.757	11	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N[5a]-3:	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)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2)	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>}	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)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|C<4>}	126.5507	1.463	4	126.5507	2.139	4	126.7899	0.757	11	126.7899	0.757	11	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N[5a]-3:	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)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2)	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>}	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)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|C<4>}	126.8420	0.366	2	126.8420	0.134	2	126.7899	0.757	11	126.7899	0.757	11	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2)	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2){2|N<2>,4|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2){2|C<3>,2|H<1>}	124.4550	0.208	3	124.4550	0.043	3	124.4550	0.043	3	122.6684	3.337	10	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:N[5a]-3:	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]C)(O)	N[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|C<4>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]C)(O){1|C<4>,2|C<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>}	122.7930	0.577	3	122.7930	0.333	3	122.8338	0.176	5	122.6684	3.337	10	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:N[5a]-3:	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]H)(O)	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5a]C[5a]2){2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(O){1|C<4>,2|C<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>}	122.8950	0.160	2	122.8950	0.026	2	122.8338	0.176	5	122.6684	3.337	10	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	119.5750	0.622	2	119.5750	0.387	2	119.5750	0.387	2	122.6684	3.337	10	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(N[5a]C[5a]2)	N[5a](C[5a]C[5a]C)2(N[5a]C[5a]2){2|C<3>,4|C<4>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)2(N[5a]C[5a]2){2|C<3>,4|C<4>}	124.4578	0.252	4	124.4578	0.064	4	124.4578	0.064	4	124.4578	0.064	4	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	4:3:3:	B[5a]-4:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:H-1:	B[5a]-4:N[5a]-3:C[5a]-3:	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]N[5a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H)	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,9|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]N[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,9|C<3>}	120.5340	0.140	2	120.5340	0.020	2	120.5340	0.020	2	120.5340	0.020	2	125.2003	5.844	38	125.3705	7.876	56
813	727	813	0:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]2)(O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	110.5847	3.110	4	110.5847	9.673	4	110.5847	9.673	4	115.0031	19.228	10	115.0031	19.228	10	115.0031	19.228	10
813	727	813	0:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	117.9487	1.666	6	117.9487	2.776	6	117.9487	2.776	6	115.0031	19.228	10	115.0031	19.228	10	115.0031	19.228	10
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a,6]	N[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(C[5]C[5]W)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|O<1>,1|W<6>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(C[5]C[5]W){1|C<3>,1|H<1>,2|C<4>}	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	N[5,5a]-3:B[5a]-4:C[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C)	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|F<1>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){1|C<4>,2|F<1>,4|C<3>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	111.1600	0.000	1	111.1375	0.001	2	111.1375	0.001	2	111.1375	0.001	2	111.5425	0.138	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	N[5,5a]-3:B[5a]-4:C[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C)	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|F<1>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){2|C<4>,2|F<1>,3|C<3>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	111.1150	0.000	1	111.1375	0.001	2	111.1375	0.001	2	111.1375	0.001	2	111.5425	0.138	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:B[5a]-4:C[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H)	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5]){2|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5]){1|H<1>,5|C<3>}	111.7450	0.257	4	111.7450	0.066	4	111.7450	0.066	4	111.7450	0.066	4	111.5425	0.138	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:2:1:	4:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:O[5a]-2:O-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C)	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O)	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C)	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O){1|C<4>,4|C<3>}	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	108.2071	2.237	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:N[5,5a]-3:O-1:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(C[5]C[5]W)	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]N[5,5a]C[5])(O)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(C[5]C[5]W){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]N[5,5a]C[5])(O){1|W<6>,2|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|O<1>,1|W<6>,2|C<3>,2|C<4>,3|H<1>}	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	108.2071	2.237	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:O-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N){2|H<1>,3|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O){1|C<4>,1|N<3>,2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	108.2071	2.237	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.2071	2.237	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,3|H<1>,5|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N){2|H<1>,3|C<3>}	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	108.2071	2.237	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,4|C<3>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	108.2071	2.237	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O)	C[5a](N[5,5a]N[5,5a]C[5,6])(N[5a]C[5a]C)(O)	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O)	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](N[5,5a]N[5,5a]C[5,6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	106.8510	0.000	1	106.8510	0.000	1	106.8510	0.000	1	106.8510	0.000	1	108.2071	2.237	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){1|O<1>,4|C<3>}	107.7550	0.000	1	107.7550	0.000	1	107.3183	0.145	3	107.3183	0.145	3	107.3183	0.145	3	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){1|O<1>,4|C<3>}	107.1000	0.069	2	107.1000	0.005	2	107.3183	0.145	3	107.3183	0.145	3	107.3183	0.145	3	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	105.3760	0.000	1	105.7255	0.244	2	105.7255	0.244	2	105.7255	0.244	2	106.0500	0.251	5	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|N<2>}	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	106.0750	0.000	1	105.7255	0.244	2	105.7255	0.244	2	105.7255	0.244	2	106.0500	0.251	5	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	105.9040	0.000	1	106.0135	0.024	2	106.0135	0.024	2	106.0135	0.024	2	106.0500	0.251	5	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|N<2>,2|N<3>}	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	106.1230	0.000	1	106.0135	0.024	2	106.0135	0.024	2	106.0135	0.024	2	106.0500	0.251	5	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a]-3:B[5a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a]-3:B[5a]-3:C[5a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a])	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){8|C<3>}	106.7720	0.000	1	106.7720	0.000	1	106.7720	0.000	1	106.7720	0.000	1	106.0500	0.251	5	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2{1|C<3>,2|H<1>}	109.4060	0.000	1	109.4060	0.000	1	109.2592	0.039	5	109.2592	0.039	5	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,2|H<1>}	109.1703	0.222	3	109.1703	0.049	3	109.2592	0.039	5	109.2592	0.039	5	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|C<3>,2|H<1>}	109.3790	0.000	1	109.3790	0.000	1	109.2592	0.039	5	109.2592	0.039	5	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:2:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:N-2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN){1|H<1>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:N[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){2|C<3>,2|N<2>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	107.5600	0.000	1	107.5600	0.000	1	106.9132	0.651	6	106.9132	0.651	6	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	106.5267	0.358	3	106.5267	0.128	3	106.9132	0.651	6	106.9132	0.651	6	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	108.1700	0.000	1	108.1700	0.000	1	106.9132	0.651	6	106.9132	0.651	6	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	106.1690	0.000	1	106.1690	0.000	1	106.9132	0.651	6	106.9132	0.651	6	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){4|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|N<3>,3|H<1>}	108.0210	0.000	1	108.0210	0.000	1	108.8546	0.746	5	109.1398	0.527	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>,2|N<3>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){2|C<3>,2|N<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2{1|N<3>,3|H<1>}	109.6900	0.314	2	109.6900	0.099	2	108.8546	0.746	5	109.1398	0.527	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|N<3>,3|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){4|H<1>}	107.9650	0.000	1	108.4360	0.444	2	108.8546	0.746	5	109.1398	0.527	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|N<3>,3|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){4|H<1>}	108.9070	0.000	1	108.4360	0.444	2	108.8546	0.746	5	109.1398	0.527	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a,5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(O)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2{1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(O){1|C<4>,1|O<1>,2|C<3>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>,2|O<1>}	109.1130	0.000	1	109.2845	0.059	2	109.2845	0.059	2	109.1398	0.527	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a,5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(O)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2{1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(O){1|O<1>,3|C<3>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>,2|O<1>}	109.4560	0.000	1	109.2845	0.059	2	109.2845	0.059	2	109.1398	0.527	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:O-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(O)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2{4|C<4>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)2{2|C<4>,2|O<1>}	109.7080	0.277	2	109.7080	0.077	2	109.7080	0.077	2	109.1398	0.527	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:2:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N-2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NN)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NN){1|C<3>,1|N<2>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	108.1750	0.202	3	108.1750	0.041	3	108.1750	0.041	3	108.1750	0.041	3	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a,5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]C)(COO)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]C)(COO){3|C<3>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	105.2710	0.000	1	105.2710	0.000	1	105.2710	0.000	1	106.0100	2.176	4	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(CC[6a]O)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2{1|C<3>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(CC[6a]O){1|C<4>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	104.3030	0.000	1	104.3030	0.000	1	104.3030	0.000	1	106.0100	2.176	4	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a,5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	106.0100	2.176	4	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	106.0100	2.176	4	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>,2|O<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2{1|C<3>,1|C<4>,2|H<1>}	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	107.5566	0.586	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:B[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:B[5a]-3:	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a])	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){8|C<3>}	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	107.5566	0.586	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){4|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO){2|C<3>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|N<3>,3|H<1>}	108.7480	0.000	1	108.7480	0.000	1	107.5621	0.739	7	107.5566	0.586	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>,2|N<3>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2{1|N<3>,3|H<1>}	106.8415	0.916	2	106.8415	0.839	2	107.5621	0.739	7	107.5566	0.586	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2{1|N<3>,3|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>,2|N<3>}	107.1540	0.351	2	107.6260	0.377	4	107.5621	0.739	7	107.5566	0.586	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2{1|N<3>,3|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO){2|C<3>,2|N<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>,2|N<3>}	108.0980	0.344	2	107.6260	0.377	4	107.5621	0.739	7	107.5566	0.586	9	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2{1|C<3>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>,2|O<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2{1|C<3>,1|C<4>,2|H<1>}	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	108.4290	0.423	3	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:4:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(CH3)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)2{2|C<4>,2|O<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2{4|C<4>}	108.8015	0.117	2	108.8015	0.014	2	108.8015	0.014	2	108.4290	0.423	3	108.0830	1.926	42	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[5a,6]-3:N[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:C[6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C)	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6,6]-3:B[3x6]-3:C[5a]-3:	N[5a,6,6]-3:C[5a]-3:C-4:	N[5a,6,6]-3:B[3x6]-3:C[5a]-3:	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C)	C[5a](N[5a,6,6]N[5a,6,6]B[3x6])(C[5a]C[5a]H)(CH3)	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C)	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5a](N[5a,6,6]N[5a,6,6]B[3x6])(C[5a]C[5a]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	108.8895	1.200	2	108.8895	1.440	2	108.8895	1.440	2	108.8895	1.440	2	108.3005	0.678	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	107.2240	0.000	1	107.8630	0.817	2	107.8630	0.817	2	108.0060	0.303	4	108.3005	0.678	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.5020	0.000	1	107.8630	0.817	2	107.8630	0.817	2	108.0060	0.303	4	108.3005	0.678	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	108.0770	0.000	1	108.1490	0.010	2	108.1490	0.010	2	108.0060	0.303	4	108.3005	0.678	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	108.2210	0.000	1	108.1490	0.010	2	108.1490	0.010	2	108.0060	0.303	4	108.3005	0.678	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6,6a]	C[5a]	N[5a,6,6a]	4:3:3:	3:3:4:	4:3:3:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:C-4:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CC3)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.4110	0.328	2	108.4110	0.108	2	108.1792	0.200	6	108.1792	0.200	6	108.1792	0.200	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6,6a]	C[5a]	N[5a,6,6a]	4:3:3:	3:3:4:	4:3:3:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:C-4:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.7050	0.451	2	107.7050	0.204	2	108.1792	0.200	6	108.1792	0.200	6	108.1792	0.200	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6,6a]	C[5a]	N[5a,6,6a]	4:3:3:	3:3:4:	4:3:3:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[5a]-3:C-4:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CH3)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.4215	0.114	2	108.4215	0.013	2	108.1792	0.200	6	108.1792	0.200	6	108.1792	0.200	6	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6,6a]-3:C[5a,6]-3:N[5a,6]-3:	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](N[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){4|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N)	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a](N[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])(O){1|O<1>,5|C<3>}	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N){1|N<3>,1|O<1>,4|C<3>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	108.5675	5.098	2	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:O-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]O)(C[6]C[6]N){1|N<3>,1|O<1>,4|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	108.5675	5.098	2	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]C[5a,6]N[5a,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]N[5a,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:O-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N)	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.5025	0.094	2	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:O-1:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5,6]C[5a])(O)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5,6]C[5a])(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	109.5025	0.094	2	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.1670	0.000	1	110.1670	0.000	1	108.6655	4.509	2	108.6655	4.509	2	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>}	107.1640	0.000	1	107.1640	0.000	1	108.6655	4.509	2	108.6655	4.509	2	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[5a]-3:O-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO)	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O){1|O<2>,2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	109.9980	0.264	2	109.9980	0.070	2	109.9980	0.070	2	109.0710	2.613	3	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	109.0710	2.613	3	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O)	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	106.7490	5.712	2	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	105.0590	0.000	1	105.0590	0.000	1	105.0590	0.000	1	106.7490	5.712	2	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|O<1>,2|C<3>,2|C<4>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	105.4210	0.068	2	105.4210	0.005	2	105.4210	0.005	2	106.8247	5.913	3	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:4:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>}	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	106.8247	5.913	3	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,5|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	108.2037	2.984	18	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,6|C<3>}	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:O-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(O)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(O){5|C<3>}	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	108.3201	2.405	8	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,6|C<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	109.4592	1.134	4	108.3201	2.405	8	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:O-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O){1|C<4>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	110.3320	0.000	1	110.3320	0.000	1	110.3320	0.000	1	109.4592	1.134	4	108.3201	2.405	8	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O){1|C<4>,3|C<3>}	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	108.5385	0.086	2	108.5385	0.007	2	108.5385	0.007	2	109.4592	1.134	4	108.3201	2.405	8	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	105.6790	0.000	1	105.6790	0.000	1	105.6790	0.000	1	106.9717	1.264	3	108.3201	2.405	8	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	107.6180	0.144	2	107.6180	0.021	2	107.6180	0.021	2	106.9717	1.264	3	108.3201	2.405	8	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)(H){2|C<4>}	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){6|C<3>}	104.8380	0.000	1	104.8380	0.000	1	104.8380	0.000	1	104.8380	0.000	1	104.8380	0.000	1	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(N[5a]N[5a]H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(N[5a]N[5a]H){1|O<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	106.4170	0.000	1	106.4170	0.000	1	106.4170	0.000	1	106.4170	0.000	1	111.1197	85.136	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	106.1590	0.000	1	106.1590	0.000	1	106.1590	0.000	1	106.1590	0.000	1	111.1197	85.136	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|O<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1	111.1197	85.136	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	104.9020	0.020	2	104.9020	0.000	2	104.9020	0.000	2	104.9020	0.000	2	111.1197	85.136	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){1|H<1>,9|C<3>}	126.0030	0.000	1	126.0030	0.000	1	124.5370	4.298	2	124.5370	4.298	2	111.1197	85.136	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){1|H<1>,9|C<3>}	123.0710	0.000	1	123.0710	0.000	1	124.5370	4.298	2	124.5370	4.298	2	111.1197	85.136	7	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)(H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(O){1|C<4>,1|N<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H){1|O<1>,2|C<4>,2|H<1>}	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.3411	0.954	15	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|O<1>}	110.4250	0.000	1	110.4250	0.000	1	109.6416	0.420	12	109.3411	0.954	15	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	109.1215	0.112	2	109.1215	0.013	2	109.6416	0.420	12	109.3411	0.954	15	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	109.4637	0.123	3	109.4637	0.015	3	109.6416	0.420	12	109.3411	0.954	15	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|C<2>,1|O<1>}	109.7135	1.414	2	109.7135	1.998	2	109.6416	0.420	12	109.3411	0.954	15	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(H){1|C<2>,1|O<1>,2|C<4>}	109.2700	0.000	1	109.2700	0.000	1	109.6416	0.420	12	109.3411	0.954	15	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|H<1>,1|O<1>}	109.3850	0.000	1	109.3850	0.000	1	109.6416	0.420	12	109.3411	0.954	15	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<4>,1|S<4>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|O<1>,1|S<4>}	110.2790	0.552	2	110.2790	0.304	2	109.6416	0.420	12	109.3411	0.954	15	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	107.4020	0.246	2	107.4020	0.061	2	107.4020	0.061	2	109.3411	0.954	15	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	104.5960	0.291	2	104.5960	0.085	2	104.5960	0.085	2	107.3388	2.224	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]O)(H){1|H<1>,1|O<1>,3|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.3388	2.224	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	107.8100	0.283	2	107.8100	0.080	2	108.1129	0.114	7	107.3388	2.224	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<4>}	108.7550	0.000	1	108.7550	0.000	1	108.1129	0.114	7	107.3388	2.224	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O)	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	108.0700	0.000	1	108.0700	0.000	1	108.1129	0.114	7	107.3388	2.224	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O)	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|O<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	108.1220	0.000	1	108.1220	0.000	1	108.1129	0.114	7	107.3388	2.224	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|C<4>,3|H<1>}	108.1115	0.084	2	108.1115	0.007	2	108.1129	0.114	7	107.3388	2.224	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	108.4270	0.087	3	108.4270	0.007	3	108.4270	0.007	3	108.2461	0.441	7	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	108.2461	0.441	7	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NC[6a]H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|C<2>,1|O<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NC[6a]H){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<2>,1|N<3>}	107.5215	0.535	2	107.5215	0.287	2	107.5215	0.287	2	108.2461	0.441	7	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(N[6]C[6]2)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(H){1|C<2>,1|O<1>,2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(N[6]C[6]2){1|O<1>,2|C<4>,5|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<2>,1|N<3>}	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	108.2461	0.441	7	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CC3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|O<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CC3){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|Br<1>,1|C<4>}	109.1740	0.000	1	109.1740	0.000	1	109.0563	0.361	7	109.0563	0.361	7	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){2|C<4>}	108.4140	0.092	2	108.4140	0.008	2	109.0563	0.361	7	109.0563	0.361	7	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	109.0670	0.000	1	109.0670	0.000	1	109.0563	0.361	7	109.0563	0.361	7	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	108.7140	0.000	1	108.7140	0.000	1	109.0563	0.361	7	109.0563	0.361	7	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|O<1>,1|S<4>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<4>,1|S<4>}	109.8055	0.282	2	109.8055	0.080	2	109.0563	0.361	7	109.0563	0.361	7	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS){2|C<4>}	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	108.7910	0.000	1	108.3533	0.649	4	108.7177	0.768	26	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	107.9770	1.172	2	108.3533	0.649	4	108.7177	0.768	26	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|O<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	108.6680	0.000	1	108.3533	0.649	4	108.7177	0.768	26	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	108.5556	0.333	7	109.0199	0.274	16	108.7177	0.768	26	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	109.3811	0.308	9	109.0199	0.274	16	108.7177	0.768	26	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCCH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCCH){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	108.3980	0.000	1	108.3980	0.000	1	108.7177	0.768	26	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.4570	0.170	2	106.4570	0.029	2	108.7177	0.768	26	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	109.2057	0.213	3	109.2057	0.045	3	108.7177	0.768	26	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C[6]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2){1|C<4>,2|C<3>,2|H<1>}	107.6375	0.073	2	107.6375	0.005	2	107.6375	0.005	2	108.6261	0.770	29	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	108.3390	0.000	1	108.3390	0.000	1	108.6270	0.166	2	108.6270	0.166	2	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|O<1>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3){1|C<4>,1|S<2>}	108.9150	0.000	1	108.9150	0.000	1	108.6270	0.166	2	108.6270	0.166	2	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H)	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	127.4080	0.000	1	127.4080	0.000	1	127.4080	0.000	1	127.4080	0.000	1	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.0670	0.000	1	108.4638	0.167	4	108.7664	0.320	27	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	108.2415	0.111	2	108.4638	0.167	4	108.7664	0.320	27	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	108.3050	0.000	1	108.4638	0.167	4	108.7664	0.320	27	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	108.6553	0.538	9	108.6784	0.212	16	108.7664	0.320	27	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	108.7080	0.376	7	108.6784	0.212	16	108.7664	0.320	27	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|O<1>,3|C<3>}	108.7990	0.000	1	108.7990	0.000	1	108.7664	0.320	27	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	110.0600	0.089	2	109.5693	0.726	3	108.7664	0.320	27	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	108.5880	0.000	1	109.5693	0.726	3	108.7664	0.320	27	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(O){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,1|S<2>,2|C<3>}	108.8257	0.618	3	108.8257	0.382	3	108.7664	0.320	27	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	109.3980	0.185	2	109.3980	0.034	2	109.3980	0.034	2	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	111.2450	0.000	1	111.2450	0.000	1	110.9673	0.064	3	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,4|C<3>}	110.9040	0.000	1	110.8285	0.011	2	110.9673	0.064	3	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,4|C<3>}	110.7530	0.000	1	110.8285	0.011	2	110.9673	0.064	3	108.9757	0.688	34	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2)	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2){2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2){2|C<3>,4|H<1>}	124.7725	0.029	2	124.7725	0.001	2	124.7725	0.001	2	110.8921	47.926	11	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(COO){1|C<4>,1|O<1>}	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	110.8921	47.926	11	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CCO)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CCO)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CCO){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O){1|O<1>,3|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CCO){1|C<3>,1|O<1>}	108.3330	0.467	4	108.3330	0.218	4	108.3330	0.218	4	110.8921	47.926	11	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	106.3270	0.738	2	106.3270	0.545	2	106.3270	0.545	2	110.8921	47.926	11	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	107.8195	0.952	2	107.8195	0.907	2	107.8195	0.907	2	110.8921	47.926	11	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<1>,3|C<3>}	108.0780	0.000	1	108.0780	0.000	1	109.3272	0.282	79	109.3272	0.282	79	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	108.9775	0.685	4	109.0107	0.356	6	109.3272	0.282	79	109.3272	0.282	79	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	109.0770	0.600	2	109.0107	0.356	6	109.3272	0.282	79	109.3272	0.282	79	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	109.2944	0.468	52	109.3637	0.252	71	109.3272	0.282	79	109.3272	0.282	79	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.5392	0.592	16	109.3637	0.252	71	109.3272	0.282	79	109.3272	0.282	79	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	109.6287	0.385	3	109.3637	0.252	71	109.3272	0.282	79	109.3272	0.282	79	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O){2|C<4>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.8820	0.000	1	109.8820	0.000	1	109.3272	0.282	79	109.3272	0.282	79	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(COO){1|C<4>,1|O<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO){2|C<4>}	106.6310	0.000	1	106.6310	0.000	1	106.6310	0.000	1	106.6310	0.000	1	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	112.3295	0.059	2	112.3295	0.003	2	112.3295	0.003	2	110.9407	2.588	4	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	109.3990	0.000	1	109.3990	0.000	1	109.5520	0.047	2	110.9407	2.588	4	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3){1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|O<1>,1|S<2>}	109.7050	0.000	1	109.7050	0.000	1	109.5520	0.047	2	110.9407	2.588	4	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|N<3>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>}	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	107.8133	0.021	3	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3){1|C<4>,1|O<1>}	107.7865	0.193	2	107.7865	0.037	2	107.7865	0.037	2	107.8133	0.021	3	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:O-1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|H<1>,1|O<1>,3|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|O<1>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.4960	0.000	1	106.4960	0.000	1	106.4960	0.000	1	106.4960	0.000	1	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	108.7770	0.000	1	108.7770	0.000	1	107.1479	0.546	78	107.1479	0.546	78	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	106.2290	0.703	2	107.6628	1.398	6	107.1479	0.546	78	107.1479	0.546	78	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	108.3798	0.331	4	107.6628	1.398	6	107.1479	0.546	78	107.1479	0.546	78	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.0903	0.615	51	107.0905	0.433	68	107.1479	0.546	78	107.1479	0.546	78	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.9231	0.747	14	107.0905	0.433	68	107.1479	0.546	78	107.1479	0.546	78	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	107.8747	0.549	3	107.0905	0.433	68	107.1479	0.546	78	107.1479	0.546	78	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHHO){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.6420	0.000	1	107.6420	0.000	1	107.1479	0.546	78	107.1479	0.546	78	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHOO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHOO){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.9980	0.000	1	106.9980	0.000	1	107.1479	0.546	78	107.1479	0.546	78	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|O<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.9840	0.000	1	105.9840	0.000	1	107.1479	0.546	78	107.1479	0.546	78	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H){1|C<4>,2|C<3>,2|H<1>}	110.6635	0.752	2	110.6635	0.565	2	110.6635	0.565	2	108.0707	2.128	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]O)(H)	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a]C)(O){1|O<1>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]O)(H){1|H<1>,1|O<1>,3|C<4>}	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.0707	2.128	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.2560	0.000	1	107.2560	0.000	1	107.3339	0.224	7	108.0707	2.128	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.6100	0.656	2	107.6100	0.431	2	107.3339	0.224	7	108.0707	2.128	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|O<1>,4|C<3>}	107.2060	0.000	1	107.2060	0.000	1	107.3339	0.224	7	108.0707	2.128	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<4>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	106.5460	0.000	1	106.5460	0.000	1	107.3339	0.224	7	108.0707	2.128	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]H)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|C<4>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]H)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	107.5545	0.136	2	107.5545	0.019	2	107.3339	0.224	7	108.0707	2.128	10	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,3|C<4>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|H<1>,1|O<1>,3|C<4>}	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	108.5849	4.560	296	108.5316	5.381	411
813	727	813	5:SP2_SP2_SP3	N[5,5a,6]	C[5a]	N[5,5a,6]	3:4:3:	3:3:1:	3:4:3:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6]-3:N[5a]-3:O-1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5,5a]	C[5a,6]	N[5,5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	N[5,5a]-3:C[5a]-3:S[5]-4:	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N)	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(S[5]N[5]OO)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N){2|C<4>,2|H<1>,3|O<1>}	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(S[5]N[5]OO){1|N<3>,2|C<4>}	106.3970	0.000	1	106.3970	0.000	1	106.3970	0.000	1	106.3970	0.000	1	106.3970	0.000	1	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:O-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]Cr)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]Cr){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O){1|Cr<6>,1|C<4>,2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C){1|Cr<6>,1|O<1>,2|C<3>,2|H<1>}	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	107.8615	0.967	2	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:4:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C-4:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]Cr)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]Cr){1|C<3>,1|O<1>,2|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){1|Cr<6>,1|O<1>,2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O){1|Cr<6>,1|C<4>,2|C<3>,2|H<1>}	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	107.8615	0.967	2	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H){1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a]-3:O-1:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5,6]C[5a])(O)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5,6]C[5a])(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	109.7012	6.860	5	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:S[5a]-2:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O){1|O<1>,2|C<4>,2|H<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	109.7012	6.860	5	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	109.7012	6.860	5	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O){1|C<3>,1|H<1>,1|O<1>,2|N<2>,3|C<4>}	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.7012	6.860	5	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,5|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	107.2370	0.000	1	107.2370	0.000	1	107.2370	0.000	1	107.2370	0.000	1	109.7012	6.860	5	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H){1|O<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]N[5a,6a]C[6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]N[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	109.4156	0.671	12	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.2130	0.031	2	109.3467	0.054	3	109.1170	0.139	8	109.4156	0.671	12	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.6140	0.000	1	109.3467	0.054	3	109.1170	0.139	8	109.4156	0.671	12	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	108.8810	0.298	2	108.8810	0.089	2	109.1170	0.139	8	109.4156	0.671	12	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	108.7720	0.212	2	108.7720	0.045	2	109.1170	0.139	8	109.4156	0.671	12	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]O)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]O)(O){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,1|O<2>,2|C<3>}	109.5900	0.000	1	109.5900	0.000	1	109.1170	0.139	8	109.4156	0.671	12	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	109.4156	0.671	12	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,4|C<3>}	110.9760	0.718	2	110.9760	0.516	2	110.9760	0.516	2	109.4156	0.671	12	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC){1|O<1>,5|C<3>}	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	109.2703	3.977	3	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,1|O<1>,2|C<3>}	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	109.2703	3.977	3	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	109.2703	3.977	3	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	109.8480	0.964	3	110.0042	0.425	11	110.0042	0.425	11	110.0042	0.425	11	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	110.1036	0.605	7	110.0042	0.425	11	110.0042	0.425	11	110.0042	0.425	11	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	109.7770	0.000	1	110.0042	0.425	11	110.0042	0.425	11	110.0042	0.425	11	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	108.7610	0.000	1	108.7610	0.000	1	107.2108	0.986	14	107.2108	0.986	14	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.0015	0.583	10	106.8993	0.407	12	107.2108	0.986	14	107.2108	0.986	14	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.3885	0.885	2	106.8993	0.407	12	107.2108	0.986	14	107.2108	0.986	14	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.3980	0.000	1	109.3980	0.000	1	107.2108	0.986	14	107.2108	0.986	14	108.7840	2.205	42	108.8861	2.746	55
813	727	813	5:SP3_SP2_SP2	N[5,5a,6]	C[5a]	N[5,5a,6]	3:4:3:	3:3:1:	3:4:3:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6]-3:N[5a]-3:O-1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]Cr)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O){1|Cr<6>,1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O){1|C<4>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]Cr){1|C<3>,1|O<1>,2|H<1>}	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	108.7100	0.518	3	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:4:	3:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:C-4:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]Cr)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C){1|Cr<6>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]Cr){1|C<3>,1|C<4>,2|H<1>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.7100	0.518	3	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:S[5]-4:	C[5a,6]-3:N[5,5a]-3:O-1:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(S[5]N[5]OO)	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]N[5,5a]S[5])(O)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N)	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(S[5]N[5]OO){1|N<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]N[5,5a]S[5])(O){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N){2|C<4>,2|H<1>,3|O<1>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	108.7100	0.518	3	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6]C[5a,6]N[5a,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O)	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O){1|C<3>,1|H<1>,1|O<1>,2|N<2>,3|C<4>}	C[5a](N[5a,6]C[5a,6]N[5a,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	109.6854	8.371	5	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:S[5a]-2:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O){1|O<1>,2|C<4>,2|H<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	109.6854	8.371	5	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	109.6854	8.371	5	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	109.6854	8.371	5	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:3:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O)	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	109.6854	8.371	5	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	105.5010	0.000	1	105.5010	0.000	1	105.5010	0.000	1	105.5010	0.000	1	105.5010	0.000	1	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,6|C<3>}	104.7350	0.000	1	104.7350	0.000	1	104.7350	0.000	1	104.7350	0.000	1	104.7350	0.000	1	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.6185	0.651	2	105.6185	0.424	2	105.6185	0.424	2	105.6185	0.424	2	105.6185	0.424	2	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	104.1410	0.000	1	104.1410	0.000	1	104.1410	0.000	1	104.1410	0.000	1	104.1410	0.000	1	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	107.8645	1.221	2	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS){1|C<3>,1|H<1>}	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.8645	1.221	2	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){2|C<4>}	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	108.1935	0.390	2	107.8353	0.461	3	108.1789	0.539	8	108.1789	0.539	8	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|O<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	107.1190	0.000	1	107.8353	0.461	3	108.1789	0.539	8	108.1789	0.539	8	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	109.1170	0.366	2	109.1170	0.134	2	108.1789	0.539	8	108.1789	0.539	8	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	107.6865	0.316	2	107.6865	0.100	2	108.1789	0.539	8	108.1789	0.539	8	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CCHH){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.3180	0.000	1	108.3180	0.000	1	108.1789	0.539	8	108.1789	0.539	8	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|O<1>,2|C<3>}	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	108.1010	0.694	2	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	108.1010	0.694	2	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	108.8320	0.000	1	108.8320	0.000	1	109.1198	0.382	14	109.1198	0.382	14	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	109.1996	0.475	10	109.2574	0.254	12	109.1198	0.382	14	109.1198	0.382	14	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.5465	0.753	2	109.2574	0.254	12	109.1198	0.382	14	109.1198	0.382	14	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O){3|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	107.7560	0.000	1	107.7560	0.000	1	109.1198	0.382	14	109.1198	0.382	14	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC){1|O<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	105.7030	0.000	1	105.7030	0.000	1	105.7030	0.000	1	105.3750	0.215	2	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>}	105.0470	0.000	1	105.0470	0.000	1	105.0470	0.000	1	105.3750	0.215	2	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	106.3750	1.057	3	106.4061	0.886	11	106.4061	0.886	11	106.4061	0.886	11	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.2643	0.940	7	106.4061	0.886	11	106.4061	0.886	11	106.4061	0.886	11	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	107.4920	0.000	1	106.4061	0.886	11	106.4061	0.886	11	106.4061	0.886	11	107.8552	2.013	40	107.8253	3.177	55
813	727	813	5:SP3_SP2_SP3	N[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:2:1:	4:3:3:	N[5,5a,6]-3:B[5]-3:C[5a]-3:	N[5,5a]-3:O[5a]-2:O-1:	C[5,6,6]-4:B[5a,6]-3:N[5,5a]-3:	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O)	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O)	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5])	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O){2|C<3>,2|C<4>}	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5]){1|H<1>,1|O<1>,5|C<3>}	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,3|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	107.9625	0.631	8	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,3|H<1>}	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	107.9625	0.631	8	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	4:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	108.4410	0.000	1	108.4410	0.000	1	107.4300	2.044	2	107.4300	2.044	2	107.9625	0.631	8	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	4:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,5|C<3>}	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	106.4190	0.000	1	106.4190	0.000	1	107.4300	2.044	2	107.4300	2.044	2	107.9625	0.631	8	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O)	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	109.1660	0.000	1	109.1660	0.000	1	108.4655	0.981	2	108.4655	0.981	2	107.9625	0.631	8	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O)	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.7650	0.000	1	107.7650	0.000	1	108.4655	0.981	2	108.4655	0.981	2	107.9625	0.631	8	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	4:3:3:	C[3x5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	C[5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[5a](N[5,5a]N[5,5a]C[3x5])(N[5a]C[5a]C[6a])(O)	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O)	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5a](N[5,5a]N[5,5a]C[3x5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	108.1655	0.141	2	107.9625	0.631	8	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	4:3:3:	C[5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	C[3x5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	108.1655	0.141	2	107.9625	0.631	8	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	106.9370	0.000	1	106.9370	0.000	1	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.8910	0.000	1	107.8910	0.000	1	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C)(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	107.6380	0.082	2	107.6380	0.007	2	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	108.3350	0.000	1	108.3350	0.000	1	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	107.3160	0.000	1	107.3160	0.000	1	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.4930	0.173	2	108.4930	0.030	2	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	107.1450	0.000	1	107.1450	0.000	1	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,4|C<4>}	108.1240	0.000	1	108.0630	0.007	2	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,4|C<4>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	108.0020	0.000	1	108.0630	0.007	2	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	108.8910	0.000	1	108.8910	0.000	1	107.9086	0.359	12	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	109.5340	0.000	1	108.6900	1.425	2	108.6900	1.425	2	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6,6]	C[5a]	N[5a,6,6]	4:3:3:	3:3:1:	4:3:3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	107.8460	0.000	1	108.6900	1.425	2	108.6900	1.425	2	108.0202	0.494	14	108.0202	0.494	14	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:S[5a]-2:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(S[5a]C[5a])(O){1|O<1>,2|C<4>,2|H<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	114.6340	0.206	2	114.6340	0.043	2	114.6340	0.043	2	114.6340	0.043	2	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.7045	1.732	2	108.7045	2.999	2	108.6620	1.256	4	108.6620	1.256	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.2370	0.000	1	109.2370	0.000	1	108.6620	1.256	4	108.6620	1.256	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.0020	0.000	1	108.0020	0.000	1	108.6620	1.256	4	108.6620	1.256	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	107.8355	0.147	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	107.3410	0.000	1	107.3410	0.000	1	107.7727	0.197	3	107.8355	0.147	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	107.7500	0.000	1	107.9885	0.114	2	107.7727	0.197	3	107.8355	0.147	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:N[5a]-3:O-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	108.2270	0.000	1	107.9885	0.114	2	107.7727	0.197	3	107.8355	0.147	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	108.5225	0.908	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:4:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C)(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.8180	0.000	1	107.8180	0.000	1	108.4783	1.350	3	108.5225	0.908	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:4:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.7970	0.000	1	108.8085	2.046	2	108.4783	1.350	3	108.5225	0.908	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:4:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.8200	0.000	1	108.8085	2.046	2	108.4783	1.350	3	108.5225	0.908	4	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:4:3:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O)	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	109.0921	5.869	16	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3)	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H){1|H<1>,1|O<1>,3|C<4>}	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(SC[6a]OO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O){1|N<3>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|O<1>}	107.5057	0.622	3	107.5057	0.387	3	107.5057	0.387	3	108.1004	0.516	7	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3){1|H<1>,1|O<1>}	108.0150	0.000	1	108.0150	0.000	1	108.0150	0.000	1	108.1004	0.516	7	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.9390	0.000	1	108.7237	0.045	3	108.7237	0.045	3	108.1004	0.516	7	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.6160	0.143	2	108.7237	0.045	3	108.7237	0.045	3	108.1004	0.516	7	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[5,5]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5,5]C[5a])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O)	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](N[5a]C[5,5]C[5a])(C[5a]N[5a]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,5|C<3>}	107.4190	0.000	1	107.4190	0.000	1	107.4190	0.000	1	107.7839	0.452	8	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	107.6230	0.000	1	107.8360	0.502	7	107.8360	0.502	7	107.7839	0.452	8	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:O-1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|O<1>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	107.8715	0.770	6	107.8360	0.502	7	107.8360	0.502	7	107.7839	0.452	8	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,5|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){2|C<4>}	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC){1|O<1>,5|C<3>}	110.0220	0.000	1	110.0220	0.000	1	110.0220	0.000	1	107.4439	1.184	14	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|O<1>,2|C<3>}	107.3870	0.000	2	107.3870	0.000	2	107.3870	0.000	2	107.4439	1.184	14	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CCO)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CCO)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CCO){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O){1|O<1>,3|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CCO){1|C<3>,1|O<1>}	108.1770	0.168	2	108.1770	0.028	2	108.1770	0.028	2	107.4439	1.184	14	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	106.7815	1.027	4	106.7815	1.055	4	106.7815	1.055	4	107.4439	1.184	14	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,2|O<1>,4|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]2)(O){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	107.1878	0.773	5	107.1878	0.598	5	107.1878	0.598	5	107.4439	1.184	14	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(O){1|N<2>,2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	108.3590	0.000	1	108.3590	0.000	1	109.2980	0.368	75	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	108.8550	0.000	1	109.4428	0.338	4	109.2980	0.368	75	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	109.6387	0.526	3	109.4428	0.338	4	109.2980	0.368	75	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	108.9087	0.865	3	108.9087	0.749	3	109.2980	0.368	75	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	109.2309	0.578	50	109.3208	0.352	67	109.2980	0.368	75	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.5582	0.584	16	109.3208	0.352	67	109.2980	0.368	75	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	110.0200	0.000	1	109.3208	0.352	67	109.2980	0.368	75	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[6a]N[5a])(O){3|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]2)(O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC){1|N<3>,1|O<1>,2|C<3>}	106.6877	0.206	4	106.6877	0.042	4	106.6877	0.042	4	109.1904	0.699	81	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC){1|O<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	105.6340	0.000	1	105.6340	0.000	1	105.6340	0.000	1	105.6340	0.000	1	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	107.9520	0.000	2	107.9520	0.000	2	107.9520	0.000	2	107.9520	0.000	2	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3)	C[5a](N[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a]C)(O){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	107.4162	0.634	4	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.8625	0.012	2	107.0380	0.092	3	107.0380	0.092	3	107.4162	0.634	4	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	107.3890	0.000	1	107.0380	0.092	3	107.0380	0.092	3	107.4162	0.634	4	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC){1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	107.8888	0.921	4	107.8888	0.848	4	107.8888	0.848	4	107.8888	0.848	4	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|N<3>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>}	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.920	3	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	107.6650	0.920	3	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	107.6650	0.920	3	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(H){1|H<1>,1|N<3>}	106.5260	0.477	3	106.5260	0.228	3	106.5260	0.228	3	106.5260	0.228	3	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	105.8950	0.000	1	105.8950	0.000	1	105.8950	0.000	1	105.8950	0.000	1	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	108.2120	0.000	1	108.2120	0.000	1	106.9227	0.493	76	106.9227	0.493	76	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	105.9900	0.152	3	106.3697	0.592	4	106.9227	0.493	76	106.9227	0.493	76	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	107.5090	0.000	1	106.3697	0.592	4	106.9227	0.493	76	106.9227	0.493	76	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	106.9527	1.060	3	106.9527	1.124	3	106.9227	0.493	76	106.9227	0.493	76	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.0037	0.574	50	106.9004	0.373	67	106.9227	0.493	76	106.9227	0.493	76	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.6662	0.581	16	106.9004	0.373	67	106.9227	0.493	76	106.9227	0.493	76	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	105.4810	0.000	1	106.9004	0.373	67	106.9227	0.493	76	106.9227	0.493	76	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.2460	0.000	1	109.2460	0.000	1	106.9227	0.493	76	106.9227	0.493	76	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5,5]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]C[5,5]N[5a])(N[5a]C[5a]C[6a])(O)	N[5a](N[5a]C[5,5]C[5a])(C[5a]N[5a]O)(H)	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5,5]N[5a])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a](N[5a]C[5,5]C[5a])(C[5a]N[5a]O)(H){1|O<1>,2|C<3>,2|C<4>}	108.8430	0.000	1	108.8430	0.000	1	108.8430	0.000	1	107.9115	0.565	8	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.7172	0.749	6	107.7784	0.493	7	107.7784	0.493	7	107.9115	0.565	8	107.9681	1.652	214	108.0228	1.911	254
813	727	813	5:SP3_SP2_SP3	N[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5a]N[5a]C[6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.1460	0.000	1	107.7784	0.493	7	107.7784	0.493	7	107.9115	0.565	8	107.9681	1.652	214	108.0228	1.911	254
813	727	813	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]S)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	117.6113	7.117	3
813	727	813	6:SP2_SP2_SP2	N[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-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])	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,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[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]){3|N<2>,4|C<3>}	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,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>}	119.1355	0.544	2	119.1355	0.296	2	119.1355	0.296	2	119.1355	0.296	2	119.1355	0.296	2	117.6113	7.117	3
813	727	813	6:SP3_SP2_SP2	N[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a,6]-3:N[5a]-3:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O)	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O){1|C<3>,1|H<1>,1|O<1>,2|N<2>,3|C<4>}	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	N[5,5a]-3:N[5]-2:N-3:	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N)	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5](N[5,5a]C[5a,6]N[5,5a])(N[5]S[5])(NCC)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N){2|C<4>,2|H<1>,3|O<1>}	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[5](N[5,5a]C[5a,6]N[5,5a])(N[5]S[5])(NCC){1|C<4>,2|C<3>,2|O<1>}	126.8290	0.000	1	126.8290	0.000	1	126.8290	0.000	1	126.8290	0.000	1	134.5340	118.734	2	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5](N[5,5a]C[5a,6]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|O<1>,1|W<6>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5a]C[5a,6]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|W<6>,2|H<1>,4|C<3>}	142.2390	0.000	1	142.2390	0.000	1	142.2390	0.000	1	142.2390	0.000	1	134.5340	118.734	2	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	N[5,5a]-3:C[5]-3:C-4:	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3)	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|F<1>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){1|C<4>,2|F<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<2>}	138.1370	0.000	1	138.2065	0.010	2	138.2065	0.010	2	138.2065	0.010	2	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	N[5,5a]-3:C[5]-3:C-4:	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3)	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|F<1>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){2|C<4>,2|F<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<2>}	138.2760	0.000	1	138.2065	0.010	2	138.2065	0.010	2	138.2065	0.010	2	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:O[5]-2:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O){2|F<1>,3|C<3>}	133.7690	0.479	2	133.7690	0.230	2	133.7690	0.230	2	133.7690	0.230	2	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:S[5]-2:N-2:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<3>,2|C<3>}	136.3400	0.000	1	135.9660	0.280	2	134.4583	6.959	3	134.4583	6.959	3	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:S[5]-2:N-2:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<2>,3|C<3>}	135.5920	0.000	1	135.9660	0.280	2	134.4583	6.959	3	134.4583	6.959	3	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:S[5]-2:N-2:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC){1|S<2>,2|C<3>}	131.4430	0.000	1	131.4430	0.000	1	134.4583	6.959	3	134.4583	6.959	3	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5,5a]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O){1|C<4>,5|C<3>}	136.3550	0.000	1	136.3550	0.000	1	136.3550	0.000	1	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5,6a]-3:S-1:	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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S){1|C<4>,1|N<2>,4|C<3>}	141.7940	0.000	1	141.7940	0.000	1	141.7940	0.000	1	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O){1|C<4>,3|C<3>}	140.2510	0.000	1	140.2510	0.000	1	139.2687	3.405	3	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O){1|Cl<1>,3|C<3>}	140.4150	0.000	1	140.4150	0.000	1	139.2687	3.405	3	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O){1|N<3>,5|C<3>}	137.1400	0.000	1	137.1400	0.000	1	139.2687	3.405	3	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5,6]O)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5,6]O)(O){5|C<3>}	137.4230	0.000	1	137.4230	0.000	1	137.5458	0.209	5	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O){1|C<4>,4|C<3>}	138.0710	0.000	1	137.9795	0.017	2	137.5458	0.209	5	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O){5|C<3>}	137.8880	0.000	1	137.9795	0.017	2	137.5458	0.209	5	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O){1|H<1>,6|C<3>}	136.8980	0.000	1	137.1735	0.152	2	137.5458	0.209	5	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O){6|C<3>}	137.4490	0.000	1	137.1735	0.152	2	137.5458	0.209	5	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:N[5a,6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:H-1:	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H)	C[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H)	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>,2|O<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	135.7720	0.318	2	135.7720	0.101	2	135.7720	0.101	2	137.9357	3.690	12	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:Se-2:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|Se<2>,2|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe){5|C<3>}	136.1550	0.624	2	136.1550	0.389	2	136.1550	0.389	2	136.1550	0.389	2	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H){1|N<3>,2|H<1>,4|C<3>}	138.1330	0.000	1	138.1330	0.000	1	138.1330	0.000	1	137.1576	0.657	5	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5]){2|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,2|H<1>,5|C<3>}	136.9137	0.693	4	136.9137	0.480	4	136.9137	0.480	4	137.1576	0.657	5	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[3x5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	136.5700	0.000	1	136.5700	0.000	1	136.5700	0.000	1	135.6295	3.190	8	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5,5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	135.9660	0.000	1	135.9660	0.000	1	135.0848	4.553	5	135.6295	3.190	8	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5,5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	131.4240	0.000	1	131.4240	0.000	1	135.0848	4.553	5	135.6295	3.190	8	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5,5]-4:O-1:	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[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	136.0113	0.854	3	136.0113	0.730	3	135.0848	4.553	5	135.6295	3.190	8	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O){1|H<1>,4|C<3>}	136.8020	0.000	1	136.8020	0.000	1	136.5210	0.158	2	135.6295	3.190	8	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|P<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O){1|H<1>,4|C<3>}	136.2400	0.000	1	136.2400	0.000	1	136.5210	0.158	2	135.6295	3.190	8	136.6379	4.421	34	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:O[5a]-2:O-1:	N[5,5a]-3:C[5]-3:C-4:	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C)	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3)	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O){1|C<4>,4|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|O<1>,1|O<2>}	138.2850	0.000	1	138.2850	0.000	1	138.2850	0.000	1	138.2850	0.000	1	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	137.4600	0.000	1	137.4600	0.000	1	138.9282	3.387	4	138.1271	2.238	9	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	137.2160	0.000	1	137.2160	0.000	1	138.9282	3.387	4	138.1271	2.238	9	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	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>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|N<2>,2|H<1>,3|C<3>}	140.5185	0.121	2	140.5185	0.015	2	138.9282	3.387	4	138.1271	2.238	9	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O){1|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	136.9420	0.000	1	136.9420	0.000	1	136.9420	0.000	1	138.1271	2.238	9	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5]-3:H-1:	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]H)(H)	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]H)(H){1|C<3>,1|H<1>,1|N<3>}	137.9730	0.000	1	137.9730	0.000	1	137.9730	0.000	1	138.1271	2.238	9	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){4|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O){2|C<3>,2|H<1>}	138.6710	0.000	1	138.6710	0.000	1	138.0595	0.748	2	138.1271	2.238	9	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	137.4480	0.000	1	137.4480	0.000	1	138.0595	0.748	2	138.1271	2.238	9	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,2|H<1>,4|C<3>}	136.3970	0.000	1	136.3970	0.000	1	136.3970	0.000	1	138.1271	2.238	9	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:O-1:	N[5,5a]-3:C[5]-3:N-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N){2|H<1>,3|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O){1|C<4>,1|N<3>,2|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH){1|H<1>,1|O<1>,3|C<3>}	132.9360	0.000	1	132.9360	0.000	1	132.9360	0.000	1	132.9360	0.000	1	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5]-4:O-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	135.5960	0.000	1	135.5960	0.000	1	135.5960	0.000	1	135.5960	0.000	1	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	N[5,5a]-3:C[5]-4:O-1:	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])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O)	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>}	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O){1|N<2>,2|C<3>}	138.1340	0.000	1	138.1340	0.000	1	138.1340	0.000	1	138.1340	0.000	1	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,5|C<3>}	140.1670	0.000	1	140.1670	0.000	1	140.1670	0.000	1	140.1670	0.000	1	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a,6]-3:N[5,5a]-3:N-3:	N[5,5a]-3:C[5]-3:C[6a]-3:	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	138.0080	0.000	1	138.0080	0.000	1	138.0080	0.000	1	138.2600	1.495	3	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a,6]-3:N[5,5a]-3:N-3:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH)	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C)	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<3>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C){2|H<1>,2|N<3>,3|C<3>}	139.5890	0.000	1	139.5890	0.000	1	139.5890	0.000	1	138.2600	1.495	3	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a]-3:C[5,6]-3:N-3:	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH)	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N){2|C<4>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	137.1830	0.000	1	137.1830	0.000	1	137.1830	0.000	1	138.2600	1.495	3	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:C-4:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C){4|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|C<4>,1|H<1>,4|C<3>}	137.2427	0.269	3	137.2427	0.072	3	137.2427	0.072	3	137.2427	0.072	3	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:N[5,5a]-3:C-4:	N[5,5a]-3:C[5]-4:O-1:	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(CH3)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|O<1>,2|C<3>}	135.7120	0.000	1	135.7120	0.000	1	135.7120	0.000	1	135.7120	0.000	1	137.6420	3.094	21	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[5,6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H){1|C<4>,4|C<3>}	131.6180	0.000	1	131.6180	0.000	1	131.6180	0.000	1	131.6180	0.000	1	131.6180	0.000	1	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5,6]-3:O[5]-2:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H){1|B<4>,1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,5|C<3>}	131.3640	0.000	1	131.3640	0.000	1	131.3640	0.000	1	131.3640	0.000	1	131.2780	0.015	2	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a,6]	C[5a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5,6]-3:N[5]-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)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5a,6]C[5])(N[5]C[5]Cu)	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>}	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H){3|N<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5a,6]C[5])(N[5]C[5]Cu){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	131.1920	0.000	1	131.1920	0.000	1	131.1920	0.000	1	131.1920	0.000	1	131.2780	0.015	2	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5]	3:2:3:	3:3:3:	3:2:2:	C[5a,5a]-3:N[5a]-2:C[5]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N)	C[5](N[5a]C[5a,5a]N[5a])(N[5]N[5])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2){3|N<2>,3|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5](N[5a]C[5a,5a]N[5a])(N[5]N[5])2{3|C<3>}	130.5867	1.673	3	130.5867	2.800	3	130.5867	2.800	3	130.5867	2.800	3	127.4194	20.236	5	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5]-3:C[5a]-3:	N[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a]-3:C[5]-3:N[5]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]C[5])	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5])	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C){1|H<1>,6|C<3>}	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.6685	0.329	2	122.6685	0.108	2	122.6685	0.108	2	122.6685	0.108	2	127.4194	20.236	5	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[5]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5]-3:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	129.1030	0.000	1	129.1030	0.000	1	129.1030	0.000	1	129.1030	0.000	1	128.1198	2.229	6	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5]-3:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O){1|N<2>,2|C<4>,4|C<3>}	130.0110	0.000	1	130.0110	0.000	1	130.0110	0.000	1	130.0110	0.000	1	128.1198	2.229	6	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5,6]-4:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a]){2|C<3>,3|H<1>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,5|H<1>}	129.2130	0.000	1	129.2130	0.000	1	129.2130	0.000	1	129.2130	0.000	1	128.1198	2.229	6	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5]-4:N[5]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|H<1>,5|C<3>}	126.8300	0.395	2	126.8300	0.156	2	126.8300	0.156	2	126.8300	0.156	2	128.1198	2.229	6	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5]-4:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	126.7320	0.000	1	126.7320	0.000	1	126.7320	0.000	1	126.7320	0.000	1	128.1198	2.229	6	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:2:3:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN)	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){2|N<2>}	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN){2|N<2>}	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{3|N<2>}	131.0495	1.780	2	131.0495	3.168	2	131.0495	3.168	2	131.0495	3.168	2	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:2:3:	3:2:3:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH)	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2){1|N<3>,2|N<2>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH){1|N<3>,2|N<2>}	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{1|C<3>,1|N<2>,1|N<3>}	128.6180	0.167	2	128.6180	0.028	2	128.4477	0.504	6	128.4477	0.504	6	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:2:3:	3:2:3:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHN)	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2){1|N<3>,2|N<2>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHN){1|N<3>,2|N<2>}	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{1|C<3>,1|N<2>,1|N<3>}	128.3625	0.896	4	128.3625	0.802	4	128.4477	0.504	6	128.4477	0.504	6	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:2:3:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a]-3:C[5]-3:C[5]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH)	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,3|N<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH){1|N<3>,2|C<3>}	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2{1|C<3>,1|N<2>,1|N<3>}	128.9180	0.324	2	128.9180	0.105	2	128.9180	0.105	2	128.9180	0.105	2	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:2:3:	3:3:3:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NHH)	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2){2|N<2>,2|N<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NHH){1|N<3>,2|N<2>}	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{1|N<3>,2|C<3>}	126.8507	0.432	3	126.8507	0.187	3	126.8507	0.187	3	126.8507	0.187	3	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[5]-3:N[5]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|H<1>,1|S<1>,3|C<3>}	127.0750	0.000	1	127.0750	0.000	1	127.0750	0.000	1	127.0750	0.000	1	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5]-3:C[5]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NOO)	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,4|N<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NOO){1|N<3>,2|C<3>}	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2{1|N<3>,2|C<3>}	129.5020	1.270	3	129.5020	1.613	3	129.5020	1.613	3	129.5020	1.613	3	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	4:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5,6]-4:N[5a]-3:C[5]-3:	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H)	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,2|C<3>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	125.5190	0.000	1	125.5190	0.000	1	125.5190	0.000	1	125.5190	0.000	1	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:C[5]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5]-2:N[5]-2:	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)	C[5](N[5a]C[5a]2)(N[5]N[5])2	N[5a](C[5a]N[5a]H)2(C[5]N[5]2){2|N<2>}	C[5a](N[5a]C[5a]C[5])(N[5a]N[5a])(H){1|H<1>,2|N<2>}	C[5](N[5a]C[5a]2)(N[5]N[5])2{2|H<1>,2|N<2>}	127.5228	0.923	4	127.5228	0.853	4	127.5228	0.853	4	127.5228	0.853	4	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[5a]-3:C[5]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a]-3:C[5]-3:N[5]-2:	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)	C[5](N[5a]C[5a]2)(C[5]S[5]H)(N[5]S[5])	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>}	C[5a](N[5a]C[5a]C[5])(N[5a]S[5a])(CHH){1|N<2>,2|C<3>}	C[5](N[5a]C[5a]2)(C[5]S[5]H)(N[5]S[5]){1|N<2>,1|S<2>,2|C<3>}	126.5350	0.000	1	126.5350	0.000	1	126.5350	0.000	1	124.3065	9.932	2	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[5a]-3:C[5]-3:C[5a]-3:	N[5a]-3:S[5a]-2:C[4]-3:	N[5a]-3:C[5]-3:N[5]-2:	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])(S[5a]N[5a])(C[4]S[4]2)	C[5](N[5a]C[5a]2)(C[5]S[5]H)(N[5]S[5])	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>}	C[5a](N[5a]C[5a]C[5])(S[5a]N[5a])(C[4]S[4]2){1|N<2>,1|S<2>,2|C<3>}	C[5](N[5a]C[5a]2)(C[5]S[5]H)(N[5]S[5]){1|N<2>,1|S<2>,2|C<3>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	124.3065	9.932	2	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5]-3:N[5]-2:	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	118.2330	0.000	1	118.2330	0.000	1	123.1327	18.599	3	122.1130	16.558	4	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5]-3:N[5]-2:	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5])	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2{2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	124.8120	0.000	1	124.8120	0.000	1	123.1327	18.599	3	122.1130	16.558	4	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5]-3:N[5]-2:	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5])	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2{2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	126.3530	0.000	1	126.3530	0.000	1	123.1327	18.599	3	122.1130	16.558	4	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[5]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5]-3:N[5]-2:	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	119.0540	0.000	1	119.0540	0.000	1	119.0540	0.000	1	122.1130	16.558	4	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5]-3:N[5]-3:	N[5a](C[5a]C[5a]H)2(C[5]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5a]C[5a]2)(N[5]C[5]O)2	N[5a](C[5a]C[5a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	C[5](N[5a]C[5a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	125.7965	0.523	2	125.7965	0.273	2	125.7965	0.273	2	125.7965	0.273	2	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5]-4:N[5]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|H<1>,5|C<3>}	125.5455	0.449	2	125.5455	0.202	2	125.5455	0.202	2	125.5455	0.202	2	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5]-4:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	125.8400	0.000	1	125.8400	0.000	1	125.8400	0.000	1	125.8400	0.000	1	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a]-3:C[5]-3:N[5]-2:	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(C[5a]C[5a]C){1|N<2>,2|H<1>,5|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	132.0340	0.000	1	132.0340	0.000	1	132.0340	0.000	1	130.8585	2.764	2	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[5]-3:	N[5a]-3:C[5]-3:N[5]-2:	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2){2|H<1>,2|N<2>,4|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	129.6830	0.000	1	129.6830	0.000	1	129.6830	0.000	1	130.8585	2.764	2	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP2_SP2_SP2	N[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5a,5a]-3:C[5]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5]-3:N[5]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C)	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H)	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5])	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H){1|N<2>,1|N<3>,2|C<3>}	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	133.2200	0.069	2	133.2200	0.005	2	133.2200	0.005	2	133.2200	0.005	2	127.4624	10.206	37	132.6050	29.135	108
813	727	818	0:SP3_SP2_SP2	N[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a]-3:O[5]-2:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O){2|C<4>,3|C<3>}	134.4280	0.000	1	134.4280	0.000	1	134.4280	0.000	1	134.4280	0.000	1	134.4280	0.000	1	138.9030	15.213	3
813	727	818	0:SP3_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:O-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O){1|Cr<6>,1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O){1|C<4>,3|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H){1|Cr<6>,1|O<1>,2|H<1>,4|C<3>}	140.7000	0.000	1	140.7000	0.000	1	140.7000	0.000	1	140.7000	0.000	1	141.1405	0.388	2	138.9030	15.213	3
813	727	818	0:SP3_SP2_SP2	N[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:C-4:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C){1|Cr<6>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H){1|Cr<6>,1|C<4>,2|H<1>,4|C<3>}	141.5810	0.000	1	141.5810	0.000	1	141.5810	0.000	1	141.5810	0.000	1	141.1405	0.388	2	138.9030	15.213	3
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:2:	3:3:2:	C[5,5a]-3:N[5a]-2:C[5]-3:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5,5a]-3:N[5]-3:N-2:	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5])	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5]){1|H<1>,1|N<2>,1|N<3>}	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH){1|C<3>,1|N<3>}	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:2:	3:3:3:	C[5,5a]-3:N[5a]-2:C[5]-3:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5,5a]-3:N[5]-3:N-3:	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5])	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NHH)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5]){1|H<1>,2|N<3>}	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NHH){1|C<3>,1|N<3>}	107.0610	0.000	1	107.0610	0.000	1	107.0610	0.000	1	107.0610	0.000	1	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:2:	3:2:2:	4:3:1:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5,5]-4:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O)	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a]){1|H<1>,2|C<4>}	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>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	118.5310	0.000	1	118.5310	0.000	1	118.5310	0.000	1	118.5310	0.000	1	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5,5a]-3:C[6a]-3:N[5]-3:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]D)(N[5]N[5])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|D<1>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]D)(N[5]N[5]){1|C<3>,1|C<4>,1|D<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D){1|N<3>,2|H<1>,3|C<3>}	108.3630	0.000	1	108.3630	0.000	1	108.0265	0.226	2	108.0265	0.226	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5,5a]-3:C[6a]-3:N[5]-3:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]H)(N[5]N[5])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]H)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	107.6900	0.000	1	107.6900	0.000	1	108.0265	0.226	2	108.0265	0.226	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:2:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:S[5a]-2:N[5]-2:	N[5,5a]-3:S[5]-2:N-2:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N)	C[5,5a](N[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(N[5]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N){1|H<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(N[5]S[5]){1|N<2>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC){1|S<2>,2|C<3>}	113.3160	0.000	1	113.3160	0.000	1	113.3160	0.000	1	113.3160	0.000	1	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:2:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5,5a]-3:C[5,5]-4:O-1:	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])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	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>}	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	116.8307	0.363	3	116.8307	0.132	3	116.8307	0.132	3	116.8307	0.132	3	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:N[5]-3:N[5a]-2:	N[5,5a]-3:S[5]-2:N-2:	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])	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	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>}	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<2>,3|C<3>}	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	115.8845	9.562	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5,5a]-3:S[5]-2:N-2:	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[5a]C[5a,6a]C)(N[5]S[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]S[5]){1|N<2>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<3>,2|C<3>}	113.6980	0.000	1	113.6980	0.000	1	113.6980	0.000	1	115.8845	9.562	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:O-1:	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])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	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>}	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|N<2>,2|H<1>,3|C<3>}	112.2455	0.153	2	112.2455	0.024	2	112.2455	0.024	2	112.7758	0.425	4	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:N[5a]-3:S[5]-2:	N[5,5a]-3:C[5]-3:H-1:	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a]C)(S[5]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]H)(H)	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a]C)(S[5]C[5]){1|C<3>,3|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]H)(H){1|C<3>,1|H<1>,1|N<3>}	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	112.7758	0.425	4	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:N[5,6a]-3:N[5a]-2:	N[5,5a]-3:C[5,6a]-3:S-1:	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])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S)	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>}	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S){1|C<4>,1|N<2>,4|C<3>}	113.0540	0.000	1	113.0540	0.000	1	113.0540	0.000	1	112.7758	0.425	4	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:Se[5]-2:	N[5,5a]-3:C[5]-3:Se-2:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(Se[5]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se){2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(Se[5]C[5]){1|Se<2>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe){5|C<3>}	115.7180	0.816	2	115.7180	0.666	2	115.7180	0.666	2	115.7180	0.666	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	N[5a,6]-3:N[5,5a]-3:S[5]-2:	N[5,5a]-3:C[5]-3:C[6a]-3:	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5,5a](N[5a,6]C[5a,6]C[6,6])(N[5,5a]C[5a]C[5])(S[5]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<4>,3|C<3>}	C[5,5a](N[5a,6]C[5a,6]C[6,6])(N[5,5a]C[5a]C[5])(S[5]C[5]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	113.4680	0.000	1	113.4680	0.000	1	113.4680	0.000	1	111.8175	5.008	4	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	N[5a,6]-3:N[5,5a]-3:S[5]-2:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5,5a](N[5a,6]C[5a,6]C[6,6])(N[5,5a]C[5a]C[5])(S[5]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C)	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<3>,3|C<4>}	C[5,5a](N[5a,6]C[5a,6]C[6,6])(N[5,5a]C[5a]C[5])(S[5]C[5]){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C){2|H<1>,2|N<3>,3|C<3>}	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	111.8175	5.008	4	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,6]-3:N[5,5a]-3:S[5a]-2:	N[5,5a]-3:C[5,6]-3:N-3:	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N)	C[5,5a](N[5,6]C[5,6,6]C[5,6])(N[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH)	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N){2|C<4>,3|C<3>}	C[5,5a](N[5,6]C[5,6,6]C[5,6])(N[5,5a]C[5a]C[5])(S[5a]C[5a]){1|N<3>,2|C<3>,4|C<4>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	111.8175	5.008	4	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:N[5a]-3:S[5]-2:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(S[5]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]){3|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H){1|N<3>,2|H<1>,4|C<3>}	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	111.8175	5.008	4	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:S[5]-2:	N[5,5a]-3:C[5]-4:O-1:	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(S[5]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O)	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>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(S[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O){1|N<2>,2|C<3>}	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	116.7415	3.372	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:S[5]-2:	N[5,5a]-3:C[5,5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(S[5]C[5,5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<4>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(S[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	118.0400	0.000	1	118.0400	0.000	1	118.0400	0.000	1	116.7415	3.372	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C){4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|C<4>,1|H<1>,4|C<3>}	112.0513	0.146	3	112.0513	0.021	3	112.3653	0.133	6	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[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])(C[5a]C[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	112.7940	0.000	1	112.7940	0.000	1	112.3653	0.133	6	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[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])(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	112.7020	0.000	1	112.7020	0.000	1	112.3653	0.133	6	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O){1|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	112.5420	0.000	1	112.5420	0.000	1	112.3653	0.133	6	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,5|C<3>}	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){4|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|O<1>,3|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O){2|C<3>,2|H<1>}	111.1240	0.000	1	111.1240	0.000	1	112.0155	1.590	2	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	112.9070	0.000	1	112.9070	0.000	1	112.0155	1.590	2	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,5a]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a]){1|N<3>,1|O<1>,6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O){1|C<4>,5|C<3>}	113.5930	0.000	1	113.5930	0.000	1	113.5930	0.000	1	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O){1|C<4>,3|C<3>}	110.3850	0.000	1	110.3850	0.000	1	111.0243	0.321	3	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O){1|N<3>,5|C<3>}	111.2220	0.000	1	111.2220	0.000	1	111.0243	0.321	3	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl){1|Cl<1>,1|O<1>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O){1|Cl<1>,3|C<3>}	111.4660	0.000	1	111.4660	0.000	1	111.0243	0.321	3	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C){1|O<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O){6|C<3>}	112.5480	0.000	1	112.5480	0.000	1	112.5480	0.000	1	111.9803	0.948	14	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5]-4:O-1:	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O)	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|O<1>,2|C<3>}	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:B[5]-4:	N[5,5a]-3:O[5]-2:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF){1|O<1>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O){2|F<1>,3|C<3>}	114.4650	0.163	2	114.4650	0.026	2	114.4650	0.026	2	114.4650	0.026	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN)	C[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|N<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN){1|C<3>,1|O<1>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,2|H<1>,4|C<3>}	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	112.6590	0.192	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O){1|C<4>,4|C<3>}	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	112.6590	0.192	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:O-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	113.7560	0.000	1	113.7560	0.000	1	113.7560	0.000	1	114.0845	0.216	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|P<4>,3|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<1>,1|P<4>,6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O){1|H<1>,4|C<3>}	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	114.0845	0.216	2	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:B[5a]-4:N[5]-3:	N[5,5a]-3:C[5]-3:H-1:	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H)	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	111.5935	0.368	2	111.5935	0.136	2	111.5935	0.136	2	112.3056	0.519	5	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5,6]O)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5,6]O)(O){5|C<3>}	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	112.3056	0.519	5	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){3|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O){5|C<3>}	112.4360	0.000	1	112.4360	0.000	1	112.7885	0.249	2	112.3056	0.519	5	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:N[5]-3:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C){1|O<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O){1|H<1>,6|C<3>}	113.1410	0.000	1	113.1410	0.000	1	112.7885	0.249	2	112.3056	0.519	5	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	N[5,5a]-3:C[3x5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	113.8840	0.000	1	113.8840	0.000	1	113.8840	0.000	1	113.7630	0.013	3	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	113.7430	0.000	1	113.7430	0.000	1	113.7430	0.000	1	113.7630	0.013	3	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5]-4:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O){1|H<1>,4|C<3>}	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	113.7630	0.013	3	112.9862	6.281	52	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a,6a]	C[5,6a,6a]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	N[5,6a,6a]-3:C[5]-3:H-1:	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H){1|B<4>,1|C<4>,3|C<3>}	109.1700	0.000	1	109.1700	0.000	1	109.1780	0.000	2	109.1780	0.000	2	109.1780	0.000	2	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a,6a]	C[5,6a,6a]	C[5]	4:3:3:	4:3:3:	3:3:1:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	N[5,6a,6a]-3:C[5]-3:H-1:	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>,3|N<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H){1|B<4>,1|C<4>,3|C<3>}	109.1860	0.000	1	109.1860	0.000	1	109.1780	0.000	2	109.1780	0.000	2	109.1780	0.000	2	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:2:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:N[5]-2:N[6a]-2:	N[5,6a]-3:N[5,6]-3:N[6]-2:	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C)	C[5,6a](N[5,6a]C[5,6]C[6a])(N[5]N[5,6])(N[6a]C[6a])	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6])	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](N[5,6a]C[5,6]C[6a])(N[5]N[5,6])(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>}	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	106.4450	0.371	2	106.4450	0.137	2	106.4450	0.137	2	106.4450	0.137	2	106.4450	0.137	2	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:2:3:	3:2:2:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a]-3:N[6a]-2:N[5]-2:	N[5,6a]-3:N[5]-3:N-2:	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5])	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN)	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|H<1>,2|N<2>}	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	107.9210	0.000	1	107.9195	0.000	2	107.9195	0.000	2	107.9195	0.000	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:2:3:	3:2:2:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a]-3:N[6a]-2:N[5]-2:	N[5,6a]-3:N[5]-3:N-2:	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5])	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN)	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|N<2>,2|H<1>}	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	107.9180	0.000	1	107.9195	0.000	2	107.9195	0.000	2	107.9195	0.000	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[6a]-2:O[5]-2:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5]){2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H){1|H<1>,1|N<2>,3|C<3>}	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	111.6715	7.635	4	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]N[6a]S)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(S[5]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]N[6a]S)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(S[5]C[5]){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H){1|S<1>,2|N<2>}	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	111.6715	7.635	4	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[6a]N[6a])(S[5]C[5])	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[6a]N[6a])(S[5]C[5]){2|C<3>,2|H<1>}	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H)(H){1|N<2>,2|C<3>}	112.6200	0.000	2	112.6200	0.000	2	112.6200	0.000	2	111.6715	7.635	4	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5,6a]-3:C[5]-3:C[6]-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5,6a]-3:C[5]-4:C-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH){1|O<1>,1|S<4>,2|N<2>}	111.3210	0.000	1	111.3210	0.000	1	111.6295	0.190	2	111.6295	0.190	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5,6a]-3:C[5]-4:C-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI){1|O<1>,1|S<4>,2|N<2>}	111.9380	0.000	1	111.9380	0.000	1	111.6295	0.190	2	111.6295	0.190	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:S[5]-2:S-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]S[5])	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(S)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,1|H<1>,1|O<2>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]S[5]){1|C<3>,1|S<1>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(S){1|H<1>,2|C<3>}	112.8370	0.000	2	112.8370	0.000	2	112.8370	0.000	2	112.8370	0.000	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:S[5]-2:N-2:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]S[5])	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(NC)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N){1|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(NC){1|H<1>,2|C<3>}	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H){1|C<4>,4|C<3>}	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	107.5323	3.002	4	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:N[5]-3:H-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	105.6670	0.000	1	105.6670	0.000	1	105.6670	0.000	1	107.5323	3.002	4	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:N[5]-3:S-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S){1|H<1>,2|C<3>}	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	107.5323	3.002	4	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H){1|C<4>,4|C<3>}	106.7630	0.000	1	106.7630	0.000	1	106.7630	0.000	1	107.5323	3.002	4	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6a]-3:C[5]-3:C-3:	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(CCO)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(CCO){1|H<1>,2|C<3>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	110.6430	14.851	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a]-3:C[5]-3:C-3:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(COO)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(COO){1|H<1>,2|C<3>}	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	110.6430	14.851	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a]-3:C[5]-3:C-4:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){2|C<4>,5|C<3>}	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3){3|C<3>}	112.3995	0.004	2	112.3995	0.000	2	112.3995	0.000	2	112.3995	0.000	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a]-3:C[5]-4:C[5]-3:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5,6]C[5]H)(C[5]S[5]H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5,6]C[5]H)(C[5]S[5]H){1|S<2>,2|H<1>,5|C<3>}	111.5280	0.279	2	111.5280	0.078	2	111.5280	0.078	2	111.5280	0.078	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[5]-3:C[6a]-3:	N[5,6a]-3:N[5]-2:N-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH){1|H<1>,3|C<3>}	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:B[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[5]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O)	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O)	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>}	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6]-3:N[5,6a]-3:H-1:	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	108.9850	0.177	2	108.9850	0.031	2	108.9850	0.031	2	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:N[5]-3:Se-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(Se)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(Se){1|H<1>,3|C<3>}	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[5]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|O<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[5]-3:H-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	107.8144	1.001	5	107.8144	1.001	5	107.8144	1.001	5	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[5]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|O<1>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|O<1>}	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[5]-3:S-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S){2|C<3>,2|H<1>}	110.9117	0.232	3	110.9117	0.054	3	110.9117	0.054	3	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.6160	0.000	1	109.6160	0.000	1	108.8496	0.326	9	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.8335	0.359	2	108.8335	0.129	2	108.8496	0.326	9	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.8700	0.000	1	108.8700	0.000	1	108.8496	0.326	9	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	109.2305	0.301	2	109.2305	0.090	2	108.8496	0.326	9	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	108.3920	0.000	1	108.3920	0.000	1	108.8496	0.326	9	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,4|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	108.3200	0.861	2	108.3200	0.742	2	108.8496	0.326	9	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<2>,3|C<3>,3|H<1>}	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,2|C<3>}	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:N[5]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:H-1:	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H){1|N<2>,3|C<3>}	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	109.0742	1.266	25	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6]-3:N[5,6a]-3:N-2:	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC){1|C<4>,1|H<1>,4|C<3>}	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	108.8380	0.000	1	108.9595	0.030	2	108.9595	0.030	2	109.1109	0.211	21	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	109.0810	0.000	1	108.9595	0.030	2	108.9595	0.030	2	109.1109	0.211	21	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C){3|H<1>,4|C<3>}	109.2850	0.227	14	109.2850	0.051	14	109.2850	0.051	14	109.1109	0.211	21	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:C[6]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	109.2170	0.000	1	109.2170	0.000	1	109.1165	0.020	2	109.1109	0.211	21	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:C[6]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	109.0160	0.000	1	109.0160	0.000	1	109.1165	0.020	2	109.1109	0.211	21	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	109.1109	0.211	21	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,3|H<1>,4|C<3>}	107.4350	0.000	1	107.4350	0.000	1	108.0390	0.730	2	109.1109	0.211	21	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){4|C<3>,4|H<1>}	108.6430	0.000	1	108.6430	0.000	1	108.0390	0.730	2	109.1109	0.211	21	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:C-4:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.1780	0.000	1	109.1780	0.000	1	109.6285	0.406	2	109.6285	0.406	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-3:C-4:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){2|C<3>,2|H<1>}	110.0790	0.000	1	110.0790	0.000	1	109.6285	0.406	2	109.6285	0.406	2	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP2_SP2_SP2	N[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a]-3:C[5]-4:C-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CClH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CClH){1|C<4>,1|O<1>,2|C<3>}	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	109.6099	3.011	74	110.9051	7.251	130
813	727	818	5:SP3_SP2_SP2	N[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:O[5]-2:O-1:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC){1|O<1>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O){2|C<4>,3|C<3>}	110.8700	0.000	1	110.8700	0.000	1	110.8700	0.000	1	110.8700	0.000	1	110.8700	0.000	1	110.8700	0.000	1
813	727	818	6:SP2_SP2_SP2	N[5a,6]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:N[5,6]-3:O[5]-2:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6])	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H){1|B<4>,1|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6]){2|Cl<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,5|C<3>}	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	120.9385	10.429	2
813	727	818	6:SP2_SP2_SP2	N[5a,6]	C[5a,6]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5,6]-3:N[5]-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)	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5,6]C[5a])(N[5a]C[5a])	C[5,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5a,6]C[5])(N[5]C[5]Cu)	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>}	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>}	C[5,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5a,6]C[5])(N[5]C[5]Cu){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	120.9385	10.429	2
813	727	849	0:SP2_SP2_SP3	N[5a,6]	C[5a]	P[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:P[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-1:O-1:	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	P[6](N[5a,6]C[5a,6]C[5a])2(O)2	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	P[6](N[5a,6]C[5a,6]C[5a])2(O)2{7|C<3>}	133.3810	0.000	1	133.3810	0.000	1	133.3810	0.000	1	133.3810	0.000	1	133.3810	0.000	1	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a,6a]	P[6]	3:3:4:	3:3:3:	3:2:2:2:	C[5a,6a]-3:C[5a]-3:P[6]-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[6]-2:N[6]-2:O-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(P[6]N[6]2O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H)	P[6](N[5a]C[5a,6a]C[5a])(N[6]P[6])2(OC[6a])	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	P[6](N[5a]C[5a,6a]C[5a])(N[6]P[6])2(OC[6a]){1|H<1>,1|N<3>,1|O<2>,2|N<2>,4|C<3>}	128.0260	1.934	4	128.0260	3.742	4	128.0260	3.742	4	128.0260	3.742	4	128.0260	3.742	4	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a]	P[6]	3:3:4:	3:2:1:	3:2:2:2:	C[5a,6a]-3:C[5a]-3:P[6]-4:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[6]-2:N[6]-2:O-2:	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)	P[6](N[5a]C[5a,6a]C[5a])(N[6]P[6])2(OC[6a])	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>}	C[5a](N[5a]C[5a,6a]P[6])(N[5a]C[5a,6a])(H){1|O<2>,2|C<3>,2|N<2>}	P[6](N[5a]C[5a,6a]C[5a])(N[6]P[6])2(OC[6a]){1|H<1>,1|N<3>,1|O<2>,2|N<2>,4|C<3>}	126.5288	1.573	4	126.5288	2.474	4	126.5288	2.474	4	127.4056	3.340	8	128.8977	6.532	27	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a]	P[6]	3:3:4:	3:2:1:	3:2:2:2:	C[5a]-3:C[5a]-3:P[6]-4:	N[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[6]-2:N[6]-2:O-2:	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)	P[6](N[5a]C[5a]2)(N[6]P[6])2(OC[6a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|P<4>}	C[5a](N[5a]C[5a]P[6])(N[5a]C[5a])(H){1|O<2>,2|H<1>,2|N<2>}	P[6](N[5a]C[5a]2)(N[6]P[6])2(OC[6a]){1|N<3>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	128.2825	1.808	4	128.2825	3.269	4	128.2825	3.269	4	127.4056	3.340	8	128.8977	6.532	27	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a]	P[6]	3:3:4:	3:3:1:	3:2:2:2:	C[5a]-3:C[5a]-3:P[6]-4:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[6]-2:N[6]-2:O-2:	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])(C[5a]N[5a]H)(H)	P[6](N[5a]C[5a]2)(N[6]P[6])2(OC[6a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|P<4>}	C[5a](N[5a]C[5a]P[6])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|N<2>}	P[6](N[5a]C[5a]2)(N[6]P[6])2(OC[6a]){1|N<3>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	126.4147	2.619	4	126.4147	6.861	4	126.4147	6.861	4	126.4147	6.861	4	128.8977	6.532	27	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a]	P[6]	3:4:2:	3:3:3:	3:2:2:1:	C[5a]-3:P[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a]-3:O[6]-2:O[6]-2:O-1:	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]C)(NHH)	P[6](N[5a]C[5a]N[5a])(O[6]C[6])2(O)	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]C)(NHH){1|N<3>,1|O<1>,2|O<2>}	P[6](N[5a]C[5a]N[5a])(O[6]C[6])2(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	130.6135	0.472	2	130.6135	0.222	2	130.6135	0.222	2	130.6135	0.222	2	128.8977	6.532	27	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a]	P[6]	3:4:2:	3:3:4:	3:2:2:1:	C[5a]-3:P[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[6]-2:N[6]-2:O-1:	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	P[6](N[5a]C[5a]N[5a])(N[6]C[6])2(O)	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|O<1>,2|N<2>}	P[6](N[5a]C[5a]N[5a])(N[6]C[6])2(O){1|C<4>,2|C<3>,3|N<3>}	132.9910	0.000	1	132.9910	0.000	1	132.9910	0.000	1	132.9910	0.000	1	128.8977	6.532	27	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a]	P[6]	4:3:2:	3:3:1:	3:3:2:2:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(H)	P[6](N[5a]C[5a]N[5a])2(N[6]P[6])2	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|P<4>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|N<2>}	P[6](N[5a]C[5a]N[5a])2(N[6]P[6])2{1|N<2>,2|H<1>,4|C<3>,4|O<2>}	131.2495	1.405	2	131.2495	1.974	2	131.2495	1.974	2	131.2495	1.974	2	128.8977	6.532	27	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a]	P[6]	4:3:2:	3:3:4:	3:3:2:2:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	P[6](N[5a]C[5a]N[5a])2(N[6]C[6])2	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	P[6](N[5a]C[5a]N[5a])2(N[6]C[6])2{1|N<2>,2|C<4>,2|N<3>,4|C<3>}	128.5335	1.179	4	128.5335	1.391	4	129.7517	5.385	8	129.7517	5.385	8	128.8977	6.532	27	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a]	P[6]	4:3:2:	3:3:4:	3:3:2:2:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	P[6](N[5a]C[5a]N[5a])2(N[6]P[6,6])(N[6]P[6])	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|P<4>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	P[6](N[5a]C[5a]N[5a])2(N[6]P[6,6])(N[6]P[6]){1|N<2>,2|C<4>,4|C<3>,4|N<3>}	130.9700	2.686	4	130.9700	7.215	4	129.7517	5.385	8	129.7517	5.385	8	128.8977	6.532	27	128.9288	6.586	32
813	727	849	0:SP2_SP2_SP3	N[5a]	C[5a]	P[6]	4:3:2:	3:3:4:	3:3:3:2:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5]-3:N[6]-3:N[6]-2:	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	P[6](N[5a]C[5a]N[5a])(N[5]C[5]N[5])(N[6]P[6]Co)(N[6]P[6])	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|P<4>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,2|N<3>}	P[6](N[5a]C[5a]N[5a])(N[5]C[5]N[5])(N[6]P[6]Co)(N[6]P[6]){1|N<2>,2|C<4>,4|C<3>,4|N<3>}	130.3010	0.146	2	130.3010	0.021	2	130.3010	0.021	2	130.3010	0.021	2	128.8977	6.532	27	128.9288	6.586	32
813	727	849	0:SP3_SP2_SP3	N[5a,6]	C[5a]	P[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:P[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-1:O-1:	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	P[6](N[5a,6]C[5a,6]C[5a])2(O)2	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	P[6](N[5a,6]C[5a,6]C[5a])2(O)2{7|C<3>}	131.6940	0.000	1	131.6940	0.000	1	131.6940	0.000	1	131.6940	0.000	1	131.6940	0.000	1	131.6940	0.000	1
813	727	849	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	P[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-1:O-1:	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H)	P[6](N[5a,6]C[5a,6]C[5a])2(O)2	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	P[6](N[5a,6]C[5a,6]C[5a])2(O)2{7|C<3>}	115.3060	0.000	1	115.3060	0.000	1	115.3060	0.000	1	115.3060	0.000	1	115.3060	0.000	1	115.3060	0.000	1
813	727	849	6:SP3_SP2_SP3	N[5a,6]	C[5a,6]	P[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-1:O-1:	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H)	P[6](N[5a,6]C[5a,6]C[5a])2(O)2	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	P[6](N[5a,6]C[5a,6]C[5a])2(O)2{7|C<3>}	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1
813	727	855	6:SP2_SP2_SPD6	N[5a,6,6]	C[5a,6]	Si[4x6]	6:3:3:	3:3:2:	3:3:3:3:1:1:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:Cl-1:	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2{4|N<2>,8|C<3>}	126.7048	0.064	4	126.7048	0.004	4	126.7048	0.004	4	126.7048	0.004	4	126.4195	0.178	116	126.4195	0.178	116
813	727	855	6:SP2_SP2_SPD6	N[5a,6,6]	C[5a,6]	Si[4x6]	6:3:3:	3:3:2:	3:3:3:3:2:2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	126.5248	0.618	28	126.4893	0.345	32	126.4031	0.183	109	126.4031	0.183	109	126.4195	0.178	116	126.4195	0.178	116
813	727	855	6:SP2_SP2_SPD6	N[5a,6,6]	C[5a,6]	Si[4x6]	6:3:3:	3:3:2:	3:3:3:3:2:2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,1|S<2>,2|O<2>,3|C<3>,3|N<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	126.2410	0.176	4	126.4893	0.345	32	126.4031	0.183	109	126.4031	0.183	109	126.4195	0.178	116	126.4195	0.178	116
813	727	855	6:SP2_SP2_SPD6	N[5a,6,6]	C[5a,6]	Si[4x6]	6:3:3:	3:3:2:	3:3:3:3:2:2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2{4|N<2>,8|C<3>}	126.4839	0.515	16	126.4839	0.265	16	126.4031	0.183	109	126.4031	0.183	109	126.4195	0.178	116	126.4195	0.178	116
813	727	855	6:SP2_SP2_SPD6	N[5a,6,6]	C[5a,6]	Si[4x6]	6:3:3:	3:3:2:	3:3:3:3:2:2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2{4|N<2>,8|C<3>}	126.3445	0.133	4	126.3445	0.018	4	126.4031	0.183	109	126.4031	0.183	109	126.4195	0.178	116	126.4195	0.178	116
813	727	855	6:SP2_SP2_SPD6	N[5a,6,6]	C[5a,6]	Si[4x6]	6:3:3:	3:3:2:	3:3:3:3:2:2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	126.3432	0.291	53	126.3432	0.085	53	126.4031	0.183	109	126.4031	0.183	109	126.4195	0.178	116	126.4195	0.178	116
813	727	855	6:SP2_SP2_SPD6	N[5a,6,6]	C[5a,6]	Si[4x6]	6:3:3:	3:3:2:	3:3:3:3:2:2:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2{4|N<2>,8|C<3>}	126.2420	0.114	4	126.2420	0.013	4	126.4031	0.183	109	126.4031	0.183	109	126.4195	0.178	116	126.4195	0.178	116
813	727	855	6:SP2_SP2_SPD6	N[5a,6,6]	C[5a,6]	Si[4x6]	6:3:3:	3:3:3:	3:3:3:3:3:3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O[5]-3:O[5]-3:	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2{2|H<1>,4|C<4>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<3>,3|N<3>,4|C<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(O[5]C[5]2)2{12|C<3>,4|C<4>,8|H<1>}	126.6357	0.231	3	126.6357	0.053	3	126.6357	0.053	3	126.6357	0.053	3	126.4195	0.178	116	126.4195	0.178	116
813	727	856	0:SP2_SP2_SP2	N[5a]	C[5a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[6]-3:C[6,6]-4:N[5a]-3:	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]N[6])(C[5a]C[5a]H)(H)	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2)	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a]N[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2){2|C<4>,5|C<3>,6|H<1>}	124.9621	2.212	8	124.9621	4.891	8	124.9621	4.891	8	124.9621	4.891	8	124.9621	4.891	8	124.9621	4.891	8
813	727	856	0:SP2_SP2_SP3	N[5a,6]	C[5a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]N[6,6])(C[5a]C[5a]H)(H)	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]N[6,6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	124.9809	15.447	7
813	727	856	0:SP2_SP2_SP3	N[5a,6]	C[5a]	N[6]	3:3:3:	3:2:4:	3:3:4:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:N[5a]-2:C-4:	N[5a,6]-3:C[6]-3:C-4:	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)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	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>}	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3){1|C<3>,2|C<4>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,2|N<2>}	128.7570	0.000	1	128.7570	0.000	1	128.7570	0.000	1	128.7570	0.000	1	123.0547	19.021	4	124.9809	15.447	7
813	727	856	0:SP2_SP2_SP3	N[5a,6]	C[5a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:C[5a]-3:O-1:	C[5,6]-4:N[5a,6]-3:H-1:	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H)	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]S[5a]C)(O)	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H)	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]S[5a]C)(O){1|C<4>,1|H<1>,1|N<2>}	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	119.6425	0.025	2	119.6425	0.001	2	119.6425	0.001	2	119.6425	0.001	2	123.0547	19.021	4	124.9809	15.447	7
813	727	856	0:SP2_SP2_SP3	N[5a,6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:N[5a]-3:N-2:	N[5a,6]-3:C[6]-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>,2|C<4>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.1770	0.000	1	124.1770	0.000	1	124.1770	0.000	1	124.1770	0.000	1	123.0547	19.021	4	124.9809	15.447	7
813	727	856	0:SP2_SP2_SP3	N[5a]	C[5a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[5a]-3:N[5a]-2:N[6]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2)	C[5a](N[5a]N[5a]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	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[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<2>,4|H<1>}	127.9540	0.093	2	127.9540	0.009	2	127.9540	0.009	2	127.9540	0.009	2	127.9540	0.009	2	124.9809	15.447	7
813	727	856	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6,6]-4:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	126.2924	16.560	11
813	727	856	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:4:1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:C[6]-4:H-1:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,3|H<1>}	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[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|N<2>}	126.6130	0.000	1	126.6130	0.000	1	126.6130	0.000	1	126.6130	0.000	1	126.7174	16.192	10	126.2924	16.560	11
813	727	856	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[6]	3:2:3:	3:3:2:	3:4:1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6]-3:C[6]-4:H-1:	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,3|C<4>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	129.7220	0.000	1	129.7220	0.000	1	129.9575	0.111	2	129.9575	0.111	2	126.7174	16.192	10	126.2924	16.560	11
813	727	856	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[6]	3:2:3:	3:3:2:	3:4:1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6]-3:C[6]-4:H-1:	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	130.1930	0.000	1	130.1930	0.000	1	129.9575	0.111	2	129.9575	0.111	2	126.7174	16.192	10	126.2924	16.560	11
813	727	856	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[6]	3:3:2:	3:3:2:	3:4:1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6]-3:C[5,6]-4:H-1:	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	129.6830	0.000	1	129.6830	0.000	1	129.6830	0.000	1	130.1383	0.186	3	126.7174	16.192	10	126.2924	16.560	11
813	727	856	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[6]	3:3:2:	3:3:2:	3:4:1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6]-3:C[6,6]-4:H-1:	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	N[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	N[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	130.3660	0.249	2	130.3660	0.062	2	130.3660	0.062	2	130.1383	0.186	3	126.7174	16.192	10	126.2924	16.560	11
813	727	856	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[6]	3:3:3:	3:2:2:	4:3:1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:N[6]-2:S[5a]-2:	C[5,6]-4:N[5a,6]-3:H-1:	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H)	C[5a,6](N[5a,6]C[5a]N[6])(N[6]C[5,6])(S[5a]C[5a])	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H)	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(N[6]C[5,6])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	120.6245	0.093	2	120.6245	0.009	2	120.6245	0.009	2	120.6245	0.009	2	126.7174	16.192	10	126.2924	16.560	11
813	727	856	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<4>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	126.7174	16.192	10	126.2924	16.560	11
813	727	856	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	N[6]	3:3:3:	3:4:2:	3:3:4:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[6]-3:C-4:	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])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	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>}	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[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,2|N<2>}	126.0650	0.000	1	126.0650	0.000	1	126.0650	0.000	1	126.0650	0.000	1	126.7174	16.192	10	126.2924	16.560	11
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a,5a]	O	3:2:1:	3:3:3:	3:	C[5a,5a]-3:N[5a]-2:O-1:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(O)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O)	O(N[5a]C[5a,5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|C<4>,1|N<2>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O){1|N<3>}	O(N[5a]C[5a,5a]N[5a])	129.5490	0.311	2	129.5490	0.097	2	129.5490	0.097	2	129.5490	0.097	2	129.5490	0.097	2	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[5a]-2:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N)	O(N[5a]C[5a,6]O[5a])	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O){1|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	O(N[5a]C[5a,6]O[5a])	136.0500	0.000	1	136.0500	0.000	1	136.0500	0.000	1	136.0500	0.000	1	129.2517	34.887	3	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H)	O(N[5a]C[5a,6]2)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H){1|C<3>,2|C<4>,2|H<1>}	O(N[5a]C[5a,6]2)	125.3790	0.000	1	125.3790	0.000	1	125.3790	0.000	1	125.3790	0.000	1	129.2517	34.887	3	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a,6]	O	3:3:1:	3:4:3:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O)	O(N[5a]C[5a,6]2)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(N[5a]C[5a,6]2)	126.3260	0.000	1	126.3260	0.000	1	126.3260	0.000	1	126.3260	0.000	1	129.2517	34.887	3	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O)	O(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O){1|Cl<1>,1|N<2>}	O(N[5a]C[5a,6a]N[5a])	127.1455	0.818	2	127.1455	0.669	2	127.1455	0.669	2	127.1455	0.669	2	127.1455	0.669	2	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:2:2:	3:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:N-2:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(O)	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	O(N[5a]C[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)	O(N[5a]C[5a]N[5a])	127.6760	0.000	1	127.6760	0.000	1	127.6760	0.000	1	127.6760	0.000	1	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	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>}	O(N[5a]C[5a]N[5a])	129.2510	0.338	3	129.3400	0.167	6	129.3400	0.167	6	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O){1|C<3>,1|N<3>}	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>}	O(N[5a]C[5a]N[5a])	129.4290	0.528	3	129.3400	0.167	6	129.3400	0.167	6	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O){1|N<2>,2|N<3>}	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>}	O(N[5a]C[5a]N[5a])	128.9758	0.860	5	128.9758	0.740	5	129.2779	0.588	56	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	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>}	O(N[5a]C[5a]N[5a])	129.5850	0.305	4	129.4353	0.138	10	129.2779	0.588	56	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	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>}	O(N[5a]C[5a]N[5a])	129.4180	0.480	3	129.4353	0.138	10	129.2779	0.588	56	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	O(N[5a]C[5a]N[5a])	129.2530	0.393	3	129.4353	0.138	10	129.2779	0.588	56	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	O(N[5a]C[5a]N[5a])	129.5664	0.767	27	129.2977	0.774	36	129.2779	0.588	56	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	O(N[5a]C[5a]N[5a])	128.3424	0.585	8	129.2977	0.774	36	129.2779	0.588	56	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	O(N[5a]C[5a]N[5a])	129.6840	0.000	1	129.2977	0.774	36	129.2779	0.588	56	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>}	O(N[5a]C[5a]N[5a])	129.1230	0.218	5	129.1230	0.048	5	129.2779	0.588	56	129.2839	0.544	62	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:2:1:	3:3:3:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:N-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]O)(NOO)	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]O)(NOO){1|N<3>}	O(N[5a]C[5a]N[5a])	128.0490	0.000	3	128.0490	0.000	3	128.0490	0.000	3	128.0490	0.000	3	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:O-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:	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])	O(N[5a]C[5a]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,2|C<3>}	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>}	O(N[5a]C[5a]2)	126.3330	0.000	1	126.3330	0.000	1	126.3330	0.000	1	126.3330	0.000	1	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:N-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(NHH)	O(N[5a]C[5a]2)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(O){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(NHH){1|C<3>,1|C<4>}	O(N[5a]C[5a]2)	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:3:1:	3:3:4:	3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]O)(CH3)	O(N[5a]C[5a]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]O)(CH3){1|C<3>}	O(N[5a]C[5a]2)	122.8280	0.000	1	122.8280	0.000	1	122.8280	0.000	1	126.2145	22.937	2	128.9380	2.591	70	128.9195	3.378	77
813	727	863	0:SP2_SP2_SP2	N[5a]	C[5a]	O	3:3:1:	3:3:4:	3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(C[6]C[6]2H)	O(N[5a]C[5a]2)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(O){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(N[5a]C[5a]2)	129.6010	0.000	1	129.6010	0.000	1	129.6010	0.000	1	126.2145	22.937	2	128.9380	2.591	70	128.9195	3.378	77
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5,5a]	B[6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5,5a]-3:B[6]-4:	C[5,5a]-3:N[5a,6]-3:S[5]-2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6](C[5a,6]C[6,6a]S[5a])(C[5,5a]C[5,5a]S[5])(B[6]C[6a]2O[6])	C[5,5a](C[5,5a]N[5,6]S[5a])(N[5a,6]C[5a,6]B[6])(S[5]C[5,6])	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5a,6](C[5a,6]C[6,6a]S[5a])(C[5,5a]C[5,5a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	C[5,5a](C[5,5a]N[5,6]S[5a])(N[5a,6]C[5a,6]B[6])(S[5]C[5,6]){1|B<4>,1|O<2>,4|C<3>}	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	129.8630	0.000	1	129.8630	0.000	1	129.8630	0.000	1	129.8630	0.000	1	129.8120	0.005	2	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5,5a]	B[6]	3:3:4:	3:3:4:	3:3:1:1:	C[5,5a]-3:C[5a,6]-3:B[6]-4:	C[5,5a]-3:N[5a,6]-3:C[5]-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC)	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC){1|H<1>,2|C<3>,2|F<1>,2|N<3>}	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{2|C<4>,5|C<3>}	129.7610	0.000	1	129.7610	0.000	1	129.7610	0.000	1	129.7610	0.000	1	129.8120	0.005	2	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,5a]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:N[5a,6]-3:O[5a]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(O[5a]C[5a,6a])	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(O[5a]C[5a,6a]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|O<2>,5|C<3>}	129.5840	1.382	2	129.5840	1.909	2	129.5840	1.909	2	128.8890	1.354	5	127.8078	1.541	26	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,5a]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:N[5a,6]-3:S[5a]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(S[5a]C[5a,6a])	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(S[5a]C[5a,6a]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|S<2>,5|C<3>}	129.4360	0.000	1	129.4360	0.000	1	128.4257	0.949	3	128.8890	1.354	5	127.8078	1.541	26	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,5a]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:N[5a,6]-3:S[5a]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(S[5a]C[5a,6a])	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(S[5a]C[5a,6a]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|S<2>,5|C<3>}	127.9205	0.606	2	127.9205	0.367	2	128.4257	0.949	3	128.8890	1.354	5	127.8078	1.541	26	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:C[5a,5a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	128.5020	0.921	2	128.5020	0.848	2	128.5020	0.848	2	127.5504	1.294	21	127.8078	1.541	26	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	126.9815	0.772	14	127.0915	0.607	16	127.3014	0.909	18	127.5504	1.294	21	127.8078	1.541	26	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|O<2>,3|C<3>,3|H<1>}	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	127.8615	0.077	2	127.0915	0.607	16	127.3014	0.909	18	127.5504	1.294	21	127.8078	1.541	26	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,1|S<2>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a]){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	128.9810	0.096	2	128.9810	0.009	2	127.3014	0.909	18	127.5504	1.294	21	127.8078	1.541	26	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:N[5a,6]-3:N[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|N<3>,5|C<3>}	130.1290	0.000	1	130.1290	0.000	1	130.1290	0.000	1	127.5504	1.294	21	127.8078	1.541	26	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[6,6a]-3:N[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a,6]C[5a]C[6])	B[6](N[5a,6]C[5a,6]2)2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,2|F<1>,3|C<3>,4|H<1>}	B[6](N[5a,6]C[5a,6]2)2(F)2{7|C<3>}	129.1290	0.061	2	129.1290	0.004	2	129.1290	0.004	2	129.1290	0.004	2	129.4936	2.562	8	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:4:	3:3:1:1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C)	B[6](N[5a,6]C[5a,6]2)2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]2)2(F)2{2|C<4>,5|C<3>}	130.7875	0.591	4	130.7875	0.349	4	130.7875	0.349	4	129.6152	3.515	6	129.4936	2.562	8	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:4:	3:3:1:1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]B[6])(C[6]C[6]HH)	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]B[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2{2|C<4>,5|C<3>}	127.2705	0.186	2	127.2705	0.035	2	127.2705	0.035	2	129.6152	3.515	6	129.4936	2.562	8	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2{1|O<2>,6|C<3>}	129.5970	0.000	1	129.5970	0.000	1	129.5970	0.000	1	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	128.2700	0.000	1	128.2700	0.000	1	128.7887	0.202	3	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	129.0480	0.033	2	129.0480	0.001	2	128.7887	0.202	3	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2{1|C<4>,6|C<3>}	128.2480	0.000	1	128.2480	0.000	1	128.2480	0.000	1	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF){1|C<2>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|S<2>,6|C<3>}	123.7780	0.000	1	123.7780	0.000	1	125.6318	1.568	4	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2{1|C<4>,1|N<2>,1|S<2>,4|C<3>}	126.1245	0.170	2	126.1245	0.029	2	125.6318	1.568	4	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|N<2>,1|S<2>,5|C<3>}	126.5000	0.000	1	126.5000	0.000	1	125.6318	1.568	4	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	125.6035	0.252	2	125.6035	0.064	2	126.3825	1.388	4	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|Cl<1>,1|N<2>,5|C<3>}	126.2470	0.000	1	127.1615	1.673	2	126.3825	1.388	4	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	128.0760	0.000	1	127.1615	1.673	2	126.3825	1.388	4	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[5,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	128.6660	0.000	1	128.6660	0.000	1	128.6660	0.000	1	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a,6]C[5a,6]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a,6]C[5a,6]B[6]){1|N<3>,2|F<1>,2|H<1>,2|S<2>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	127.1000	0.229	2	127.1000	0.052	2	127.3570	0.224	3	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|H<1>,1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	127.8710	0.000	1	127.8710	0.000	1	127.3570	0.224	3	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<2>,1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{1|N<2>,6|C<3>}	132.0210	0.168	2	132.0210	0.028	2	132.0210	0.028	2	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	130.3320	0.000	1	130.3320	0.000	1	128.1503	5.239	13	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	126.3100	0.617	3	126.3100	0.381	3	128.1503	5.239	13	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	130.2100	0.000	1	130.2100	0.000	1	128.1503	5.239	13	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	130.3210	0.000	1	130.3210	0.000	1	128.1503	5.239	13	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	129.9980	0.688	4	129.9980	0.473	4	128.1503	5.239	13	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	125.5430	0.000	1	125.5430	0.000	1	128.1503	5.239	13	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	125.3130	0.513	2	125.3130	0.264	2	128.1503	5.239	13	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	127.3565	0.129	2	127.3565	0.017	2	127.3565	0.017	2	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	127.4300	0.767	7	127.7288	1.013	10	127.7288	1.013	10	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	128.4260	1.323	3	127.7288	1.013	10	127.7288	1.013	10	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,1|O<1>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	129.9550	0.000	1	129.9550	0.000	1	130.3678	0.454	4	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	130.8810	0.536	2	130.5053	0.567	3	130.3678	0.454	4	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	129.7540	0.000	1	130.5053	0.567	3	130.3678	0.454	4	128.0515	3.801	48	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5a,6,6]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|C<2>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|S<2>,6|C<3>}	129.4610	0.000	1	129.4610	0.000	1	129.4610	0.000	1	129.5927	0.147	3	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:C-2:C-2:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2{1|S<2>,6|C<3>}	130.0240	0.000	1	130.0240	0.000	1	130.0240	0.000	1	129.5927	0.147	3	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|O<2>,6|C<3>}	129.2930	0.000	1	129.2930	0.000	1	129.2930	0.000	1	129.5927	0.147	3	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a,6a]	B[6]	3:3:4:	3:3:3:	3:3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2){10|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{10|C<3>,1|S<2>,4|H<1>}	129.5410	0.000	1	129.5410	0.000	1	129.5410	0.000	1	129.5410	0.000	1	128.1691	3.678	52	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6,6]	4:3:3:	3:3:3:	3:3:2:1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2){1|H<1>,1|S<2>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|F<1>,1|N<2>,1|N<3>,2|O<2>,3|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	132.2670	0.000	1	132.2670	0.000	1	132.2670	0.000	1	132.2670	0.000	1	129.7450	2.908	4	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6,6]	4:3:3:	3:3:4:	3:3:2:3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	128.9240	0.000	1	128.9240	0.000	1	128.9240	0.000	1	128.9240	0.000	1	129.7450	2.908	4	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6,6]	4:3:3:	3:3:4:	3:3:2:4:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	129.2430	0.000	1	129.2430	0.000	1	129.2430	0.000	1	129.2430	0.000	1	129.7450	2.908	4	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6,6]	4:3:3:	3:3:4:	3:3:3:2:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	128.5460	0.000	1	128.5460	0.000	1	128.5460	0.000	1	128.5460	0.000	1	129.7450	2.908	4	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H){1|N<3>,3|C<3>,3|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	124.7900	0.000	1	124.9690	0.064	2	124.9690	0.064	2	126.4087	6.250	3	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H){1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.1480	0.000	1	124.9690	0.064	2	124.9690	0.064	2	126.4087	6.250	3	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF){1|C<3>,1|N<2>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|H<1>,3|C<3>}	129.2880	0.000	1	129.2880	0.000	1	129.2880	0.000	1	126.4087	6.250	3	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){7|C<3>}	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	130.3720	0.000	1	130.3720	0.000	1	130.3720	0.000	1	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF){2|C<4>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|F<1>,3|C<3>,4|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	127.4391	0.501	7	127.4391	0.251	7	127.4391	0.251	7	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:C[5a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6]){2|F<1>,2|H<1>,2|N<3>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	128.5170	0.000	1	128.5170	0.000	1	128.5170	0.000	1	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(CHN)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(CHN){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	123.2200	0.563	3	123.2200	0.317	3	123.2200	0.317	3	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	127.3470	0.000	1	127.9101	0.672	8	128.1547	0.799	10	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	126.4150	0.000	1	127.9101	0.672	8	128.1547	0.799	10	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	127.9633	0.386	3	127.9101	0.672	8	128.1547	0.799	10	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	128.2260	0.198	2	127.9101	0.672	8	128.1547	0.799	10	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	129.1770	0.000	1	127.9101	0.672	8	128.1547	0.799	10	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|S<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a]){1|N<2>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	129.1330	0.310	2	129.1330	0.096	2	128.1547	0.799	10	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:Cl-1:Cl-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2){6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){2|Cl<1>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2{1|N<2>,6|C<3>}	128.3775	0.138	2	128.3775	0.019	2	128.3775	0.019	2	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,6|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	125.1935	0.899	2	125.1935	0.808	2	127.0269	1.956	22	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	127.1442	0.821	12	126.7804	1.028	16	127.0269	1.956	22	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	125.6890	0.742	4	126.7804	1.028	16	127.0269	1.956	22	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	128.5730	0.000	1	128.5730	0.000	1	127.0269	1.956	22	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,3|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	129.0125	1.579	2	129.0125	2.493	2	127.0269	1.956	22	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){2|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,2|N<2>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	129.1210	0.000	1	129.1210	0.000	1	127.0269	1.956	22	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(NC[6a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(NC[6a]H){1|N<3>,3|C<3>,3|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<3>,6|C<3>}	125.5340	0.000	1	125.5340	0.000	1	125.5340	0.000	1	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	127.4365	0.288	2	127.4365	0.083	2	127.4365	0.083	2	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	128.1490	0.000	1	128.1490	0.000	1	128.1490	0.000	1	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	127.0305	0.233	2	127.0305	0.054	2	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Cl<1>,1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	127.1906	1.181	8	127.1906	1.394	8	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	127.0293	1.447	4	128.2001	2.519	10	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	128.3833	0.991	4	128.2001	2.519	10	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	130.1755	0.152	2	128.2001	2.519	10	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	129.1163	0.356	3	129.1163	0.127	3	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	128.2530	0.000	1	128.2530	0.000	1	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	131.0470	0.000	1	131.0470	0.000	1	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	130.2050	0.000	1	130.2050	0.000	1	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	128.7650	0.000	1	128.7650	0.000	1	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	128.9145	1.125	2	130.2416	1.641	14	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	130.4628	1.205	12	130.2416	1.641	14	128.8436	3.032	41	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,5|C<3>}	133.6990	0.000	1	133.6990	0.000	1	133.6990	0.000	1	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[5a]C[5a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|N<3>,5|C<3>}	128.9500	0.132	2	128.9500	0.017	2	128.9500	0.017	2	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[6]C[6]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,2|F<1>,5|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	130.6830	0.000	1	130.6830	0.000	1	130.6830	0.000	1	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)(N[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|N<3>,5|C<3>}	129.5280	0.000	1	129.5280	0.000	1	129.5280	0.000	1	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:N[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|N<3>,5|C<3>}	128.3880	0.454	2	128.3880	0.206	2	128.3880	0.206	2	128.0944	3.600	98	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:2:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C-2:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF){1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<2>,1|C<4>,1|F<1>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F){1|N<2>,6|C<3>}	127.9060	0.358	2	127.9060	0.128	2	127.9060	0.128	2	127.9060	0.128	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|C<2>,3|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{7|C<3>}	128.4530	0.717	2	128.4530	0.514	2	128.4530	0.514	2	129.4080	1.449	4	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{1|N<2>,6|C<3>}	130.3630	0.429	2	130.3630	0.184	2	130.3630	0.184	2	129.4080	1.449	4	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:3:3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2){10|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	128.0035	1.131	2	128.0035	1.278	2	128.0035	1.278	2	130.3082	3.688	6	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:3:	3:3:3:3:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:C-3:C-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2{1|N<2>,6|C<3>}	131.4605	0.640	4	131.4605	0.409	4	131.4605	0.409	4	130.3082	3.688	6	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:4:	3:2:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:O[6]-2:F-1:F-1:	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF){2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2{1|C<4>,4|C<3>}	128.6740	0.000	1	128.6740	0.000	1	128.6740	0.000	1	128.6740	0.000	1	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:4:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6,6]-3:N[5a,6]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a,6]B[6])(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a,6]B[6])(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.8620	0.724	2	126.8620	0.524	2	126.8620	0.524	2	127.7187	2.464	3	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:3:4:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|C<4>,3|C<3>}	129.4320	0.000	1	129.4320	0.000	1	129.4320	0.000	1	127.7187	2.464	3	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:3:4:	3:4:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[3x6]-4:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[3x6]C[6,6]3)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF){2|H<1>,3|C<3>,3|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[3x6]C[6,6]3)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,3|C<4>,7|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	131.6680	0.716	4	131.6680	0.513	4	131.6680	0.513	4	131.6680	0.513	4	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:2:1:	3:3:4:4:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6]-3:C[5,6]-3:C-4:C-4:	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)	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2	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>}	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>}	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	137.0570	0.000	1	137.0570	0.000	1	137.0570	0.000	1	137.0570	0.000	1	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6]B[6])(C[5a]C[5a,6]H)(H)	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,6]C[5a,6,6]B[6])(C[5a]C[5a,6]H)(H){1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2{2|H<1>,5|C<3>}	131.4910	0.000	1	131.4910	0.000	1	131.4910	0.000	1	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:I-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(I)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I){2|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(I){1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|I<1>,5|C<3>}	127.4680	0.689	4	127.4680	0.474	4	127.4680	0.474	4	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	127.4521	1.250	9	127.0295	1.260	16	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	127.2650	0.000	1	127.0295	1.260	16	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	125.4090	0.000	1	127.0295	1.260	16	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,6|C<3>}	126.8540	0.000	1	127.0295	1.260	16	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	126.4688	0.522	4	127.0295	1.260	16	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Br){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	129.2055	0.494	2	129.2055	0.244	2	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,2|Cl<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Br){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	125.9375	0.319	2	125.9375	0.102	2	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br){1|C<3>,1|N<3>,1|O<2>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	128.7520	0.110	2	128.1194	0.396	7	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	127.7450	0.000	1	128.1194	0.396	7	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|O<2>,5|C<3>}	128.7000	0.000	1	128.1194	0.396	7	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	127.6290	0.426	3	128.1194	0.396	7	127.3924	1.471	27	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	129.7440	0.000	1	129.7440	0.000	1	129.7440	0.000	1	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C){1|C<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<1>,5|C<3>}	126.4800	2.014	2	126.4800	4.056	2	126.2780	1.458	4	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|I<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(C){1|C<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<1>,5|C<3>}	126.0760	0.393	2	126.0760	0.155	2	126.2780	1.458	4	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<2>,5|C<3>}	127.5260	0.000	1	127.3046	0.084	7	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	127.2420	0.197	2	127.3046	0.084	7	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	127.2805	0.369	4	127.3046	0.084	7	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	126.7885	0.919	2	126.7615	0.992	17	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,2|Cl<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	125.4445	0.056	2	126.7615	0.992	17	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	126.9485	1.622	4	126.7615	0.992	17	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	127.1320	0.949	2	126.7615	0.992	17	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	126.0785	0.265	2	126.7615	0.992	17	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|H<1>,5|C<3>}	127.0170	0.000	1	126.7615	0.992	17	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	127.3118	0.155	4	126.7615	0.992	17	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	127.9578	0.177	4	128.0061	0.160	14	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<4>,5|C<3>}	128.1080	0.000	1	128.0061	0.160	14	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,6|C<3>}	128.1080	0.000	1	128.0061	0.160	14	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:Cl-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	128.0048	0.529	8	128.0061	0.160	14	127.3201	0.821	38	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|H<1>,3|C<3>,3|C<4>}	125.2130	0.000	1	125.2130	0.000	1	125.2130	0.000	1	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	127.3550	0.362	2	127.3550	0.131	2	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	125.8730	0.000	1	126.3158	0.110	4	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.4633	0.185	3	126.3158	0.110	4	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	127.0320	0.000	1	126.7006	0.102	5	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.2720	0.000	1	126.7006	0.102	5	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.7330	0.236	3	126.7006	0.102	5	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.8470	0.000	1	126.8470	0.000	1	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.9985	1.152	2	126.9985	1.327	2	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	127.3195	0.553	10	127.3195	0.306	10	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|H<1>,5|C<3>}	125.7600	0.000	1	125.7600	0.000	1	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|N<3>,5|C<3>}	128.0580	0.000	1	127.4890	0.648	2	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|S<2>,5|C<3>}	126.9200	0.000	1	127.4890	0.648	2	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	126.8530	0.000	1	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	127.1711	0.481	28	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.5964	0.878	22	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.5907	0.137	6	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.8866	1.170	30	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.8355	1.582	20	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Pt<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.6671	1.088	19	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<2>,5|C<3>}	126.1290	0.000	1	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	127.3730	1.175	2	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	125.8870	0.000	1	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	127.7880	0.208	2	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	125.7290	1.254	2	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	125.8372	0.368	4	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|O<2>,5|C<3>}	126.4050	0.373	3	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<4>,5|C<3>}	125.5400	0.000	1	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	126.2394	0.545	16	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.7925	0.740	158	126.6685	0.848	316	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	126.2220	0.933	2	126.2220	0.871	2	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|I<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	125.7103	0.899	4	125.9200	0.826	5	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	126.7590	0.000	1	125.9200	0.826	5	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Si)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Si<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Si)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	127.2890	0.000	1	127.2890	0.000	1	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2{2|H<1>,5|C<3>}	125.4270	0.000	1	125.4270	0.000	1	126.6769	0.827	352	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,2|H<1>,4|C<3>}	129.2940	0.000	1	129.2940	0.000	1	129.2940	0.000	1	126.8036	1.009	429	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:3:3:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]H)(H)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H){1|H<1>,8|C<3>}	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	128.3720	0.079	2	128.3720	0.006	2	128.3720	0.006	2	128.3720	0.006	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:4:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F){2|H<1>,5|C<3>}	126.6145	0.459	2	126.6145	0.211	2	126.6145	0.211	2	126.6145	0.211	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H){1|H<1>,1|N<3>,3|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	124.1180	0.000	1	124.1180	0.000	1	124.7665	0.313	4	125.7713	2.621	6	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	125.0670	0.000	1	125.0670	0.000	1	124.7665	0.313	4	125.7713	2.621	6	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,4|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	125.3690	0.000	1	124.9405	0.367	2	124.7665	0.313	4	125.7713	2.621	6	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>,2|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	124.5120	0.000	1	124.9405	0.367	2	124.7665	0.313	4	125.7713	2.621	6	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|H<1>,5|C<3>}	127.7810	0.223	2	127.7810	0.050	2	127.7810	0.050	2	125.7713	2.621	6	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<2>,5|C<3>}	125.5040	0.000	1	125.8481	0.397	7	126.2913	0.588	13	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	125.4555	0.299	2	125.8481	0.397	7	126.2913	0.588	13	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	126.1305	0.718	4	125.8481	0.397	7	126.2913	0.588	13	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(CC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	126.3865	0.815	2	126.3865	0.665	2	126.2913	0.588	13	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<2>,1|C<4>,5|C<3>}	127.3590	0.137	2	127.0192	0.165	4	126.2913	0.588	13	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	126.6795	0.121	2	127.0192	0.165	4	126.2913	0.588	13	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:O-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(OC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(OC[6a]){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|O<2>,5|C<3>}	128.7360	4.014	2	128.7360	16.108	2	128.2878	3.650	6	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:O-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|O<2>,5|C<3>}	126.9890	0.000	1	128.0637	0.513	4	128.2878	3.650	6	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:O-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|O<2>,5|C<3>}	128.4220	0.007	3	128.0637	0.513	4	128.2878	3.650	6	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:S-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(SC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|Br<1>,1|S<2>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(SC[6a]){1|C<3>,1|N<3>,1|S<2>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	125.7890	1.079	2	125.5650	0.484	4	126.3903	1.390	7	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:S-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(SC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|Br<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(SC[6a]){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	125.3410	0.296	2	125.5650	0.484	4	126.3903	1.390	7	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:S-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a]){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<2>,5|C<3>}	128.0850	0.000	1	127.4907	0.265	3	126.3903	1.390	7	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:S-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a]){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	127.1935	0.016	2	127.4907	0.265	3	126.3903	1.390	7	126.7787	2.058	26	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	125.2135	0.023	2	126.2890	3.470	3	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CCH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	128.4400	0.000	1	126.2890	3.470	3	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH){1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	126.3345	0.189	2	126.3770	0.540	8	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH){1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	126.6555	0.890	4	126.3770	0.540	8	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	126.3770	0.000	1	126.3770	0.540	8	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.3480	0.000	1	126.3770	0.540	8	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	126.7800	0.675	2	126.6198	0.376	21	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	126.4881	0.539	9	126.6198	0.376	21	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.8460	0.000	1	126.6198	0.376	21	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,6|C<3>}	126.9050	0.000	1	126.6198	0.376	21	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	127.2732	0.707	4	126.6198	0.376	21	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	126.3047	0.289	4	126.6198	0.376	21	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	126.8010	0.000	1	126.8010	0.000	1	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]O)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	129.4435	0.907	2	129.4435	0.823	2	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CHO)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CHO){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	127.6606	0.174	5	127.6426	0.023	7	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CHO)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CHO){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	127.5975	0.114	2	127.6426	0.023	7	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(COO)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(COO){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	127.8970	0.000	1	127.8970	0.000	1	126.8833	0.999	43	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[5a]N[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[5a]N[5a]2){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	129.0950	0.000	1	129.0950	0.000	1	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|Br<1>,1|N<3>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Br){2|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,6|C<3>}	125.0550	0.000	1	125.0550	0.000	1	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	128.2759	0.768	8	128.2759	0.590	8	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	127.8360	0.027	2	127.8360	0.001	2	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	129.8330	0.000	1	128.1546	1.664	11	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	130.0390	0.000	1	128.1546	1.664	11	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	128.3536	0.245	5	128.1546	1.664	11	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	128.0440	0.191	2	128.1546	1.664	11	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	125.9865	0.612	2	128.1546	1.664	11	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	128.4020	0.791	2	128.4020	0.625	2	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C){1|B<4>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<3>,6|C<3>}	127.3950	0.000	1	127.3950	0.000	1	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	129.6662	0.477	4	129.6662	0.227	4	128.2865	1.456	30	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,5|C<3>}	131.7230	0.000	1	131.7230	0.000	1	131.7230	0.000	1	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NC[6a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|Br<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NC[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	123.9390	0.000	1	123.9390	0.000	1	127.4254	6.155	9	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	131.8390	0.000	1	131.8390	0.000	1	127.4254	6.155	9	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	126.3535	0.869	4	126.3535	0.755	4	127.4254	6.155	9	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NHH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	126.8190	0.000	1	127.5540	1.080	2	127.4254	6.155	9	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NHH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	128.2890	0.000	1	127.5540	1.080	2	127.4254	6.155	9	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NOO)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	130.5290	0.000	1	130.5290	0.000	1	127.4254	6.155	9	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NCH)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NCH){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,1|N<3>,4|C<3>}	128.5250	0.000	1	128.5250	0.000	1	128.5250	0.000	1	127.5197	2.256	84	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(CC[5a]HH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(CC[5a]HH){1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	127.4160	0.000	1	127.4160	0.000	1	127.4160	0.000	1	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	126.4650	0.000	1	126.4650	0.000	1	127.5253	1.107	6	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	128.6700	0.000	1	128.6700	0.000	1	127.5253	1.107	6	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	126.0150	0.000	1	126.0150	0.000	1	127.5253	1.107	6	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	127.9345	0.339	2	128.0007	0.070	3	127.5253	1.107	6	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|O<2>,2|C<4>,3|C<3>}	128.1330	0.000	1	128.0007	0.070	3	127.5253	1.107	6	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.3400	0.000	1	126.3400	0.000	1	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.4724	0.336	5	125.4724	0.113	5	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	128.2020	0.000	1	128.2020	0.000	1	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{2|C<4>,5|C<3>}	126.8610	0.000	1	126.8610	0.000	1	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.7878	0.577	11	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.3205	0.095	2	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	126.4630	0.000	1	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	127.8790	0.000	1	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.8012	0.445	19	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	127.4200	0.000	1	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<4>,5|C<3>}	127.6520	0.000	1	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Pd<4>,1|C<4>,5|C<3>}	127.5260	0.000	1	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	127.4496	0.435	8	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Pt<4>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	124.8660	0.086	2	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	126.0797	0.806	3	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	126.2390	0.000	1	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.9900	0.000	1	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.4137	0.558	54	126.2982	0.555	106	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	126.7540	0.000	1	126.7540	0.000	1	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.5480	0.000	1	126.5480	0.000	1	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.5370	0.000	1	125.9630	0.255	10	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.0210	0.351	8	125.9630	0.255	10	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	124.9250	0.000	1	125.9630	0.255	10	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC3)	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2{2|C<4>,5|C<3>}	131.4245	0.156	2	131.4245	0.024	2	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	130.9712	0.280	4	130.9712	0.078	4	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	127.1850	0.000	1	127.2537	0.119	4	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	127.6700	0.000	1	127.2537	0.119	4	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	126.8350	0.000	1	127.2537	0.119	4	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	127.3250	0.000	1	127.2537	0.119	4	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	131.8010	0.000	1	131.8010	0.000	1	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]2H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	127.1155	0.394	2	127.1155	0.155	2	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]CH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	127.7010	0.000	1	127.7010	0.000	1	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	127.0760	0.000	1	127.0760	0.000	1	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	126.5940	0.808	2	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.3484	0.571	206	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<2>,1|C<4>,5|C<3>}	127.1465	0.214	2	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	127.6280	0.098	2	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|N<3>,5|C<3>}	125.7690	0.000	1	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	127.4170	0.253	5	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	127.3152	0.487	4	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.6260	0.000	1	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.4773	0.280	3	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	124.9960	0.000	1	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	127.0140	0.000	1	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.8522	0.563	28	126.4397	0.399	256	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	125.7990	0.000	1	125.7990	0.000	1	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.9511	0.450	13	125.8593	0.236	15	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|I<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.2625	0.224	2	125.8593	0.236	15	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|N<3>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.4460	0.010	2	125.4297	0.001	3	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|N<3>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.3970	0.000	1	125.4297	0.001	3	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|S<2>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.5675	1.621	2	125.5675	2.629	2	126.4486	0.859	418	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	129.8510	1.267	2	129.8510	1.606	2	129.1886	0.537	7	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	129.0755	0.558	2	129.0755	0.311	2	129.1886	0.537	7	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	128.8425	0.004	2	128.8425	0.000	2	129.1886	0.537	7	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Se)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Se)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	128.7820	0.000	1	128.7820	0.000	1	129.1886	0.537	7	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:N-4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NC3)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NC3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|N<4>,1|O<1>,5|C<3>}	133.7200	0.000	1	133.7200	0.000	1	133.7200	0.000	1	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:S-4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a]OO)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<4>,5|C<3>}	130.3340	0.000	1	130.3340	0.000	1	130.3340	0.000	1	126.5357	1.136	434	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:2:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F){2|C<4>,5|C<3>}	128.0642	0.187	4	128.0642	0.035	4	127.5207	0.731	6	127.5207	0.731	6	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:2:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F){2|C<4>,5|C<3>}	126.4335	0.081	2	126.4335	0.007	2	127.5207	0.731	6	127.5207	0.731	6	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<3>,3|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|C<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{2|C<4>,5|C<3>}	125.7395	0.110	2	125.7395	0.012	2	125.9317	0.055	4	125.2997	0.517	30	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|C<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{2|C<4>,5|C<3>}	126.1240	0.066	2	126.1240	0.004	2	125.9317	0.055	4	125.2997	0.517	30	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	124.8890	0.643	2	124.8890	0.414	2	125.2024	0.520	26	125.2997	0.517	30	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2{2|C<4>,5|C<3>}	125.9830	0.181	2	125.9830	0.033	2	125.2024	0.520	26	125.2997	0.517	30	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH){2|C<4>,5|C<3>}	127.1080	0.057	2	127.1080	0.003	2	125.2024	0.520	26	125.2997	0.517	30	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	124.9651	0.380	20	124.9651	0.144	20	125.2024	0.520	26	125.2997	0.517	30	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:3:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){2|C<4>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<2>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	129.5930	0.000	1	129.5930	0.000	1	129.4405	0.047	2	129.4405	0.047	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:3:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	129.2880	0.000	1	129.2880	0.000	1	129.4405	0.047	2	129.4405	0.047	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:4:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|F<1>,1|N<3>,2|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F){2|C<4>,5|C<3>}	129.5030	0.190	2	129.5030	0.036	2	129.5030	0.036	2	129.5030	0.036	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	3:4:3:	3:3:4:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,3|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|C<4>,5|C<3>}	127.1003	0.402	4	127.1003	0.162	4	127.1003	0.162	4	127.1003	0.162	4	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:1:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){4|H<1>,7|C<3>}	126.1515	0.267	2	126.1515	0.071	2	126.1515	0.071	2	126.1515	0.071	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:O-2:	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC)	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC){4|H<1>,7|C<3>}	126.1545	0.996	2	126.1545	0.993	2	126.1545	0.993	2	126.1545	0.993	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:1:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,7|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2{2|S<2>,5|H<1>,8|C<3>}	124.3790	0.000	1	124.3790	0.000	1	124.3790	0.000	1	128.4023	12.353	3	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:1:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(C[6a]C[6a]2)2	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(C[6a]C[6a]2)2{1|B<4>,6|H<1>,8|C<3>}	130.4140	0.652	2	130.4140	0.425	2	130.4140	0.425	2	128.4023	12.353	3	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	126.9110	1.550	2	126.9110	2.402	2	126.9110	2.402	2	127.7525	3.052	4	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]H){1|B<4>,1|H<2>,1|N<3>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	128.5940	1.980	2	128.5940	3.920	2	128.5940	3.920	2	127.7525	3.052	4	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){2|H<1>,9|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(C[5a]C[5a]H){1|N<3>,1|S<2>,3|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2{2|S<2>,5|H<1>,8|C<3>}	128.9600	0.000	1	128.9600	0.000	1	128.9600	0.000	1	128.5060	0.412	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:N-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(NHH)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,2|C<4>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(NHH){1|C<4>,1|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{1|C<4>,1|N<3>,4|H<1>,9|C<3>}	128.0520	0.000	1	128.0520	0.000	1	128.0520	0.000	1	128.5060	0.412	2	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:4:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	127.7720	0.006	2	126.2223	1.497	6	125.9843	1.366	8	126.3506	1.874	10	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:4:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	125.4475	0.305	4	126.2223	1.497	6	125.9843	1.366	8	126.3506	1.874	10	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:4:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|H<1>,7|C<3>}	125.2700	0.846	2	125.2700	0.715	2	125.9843	1.366	8	126.3506	1.874	10	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:4:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:N[6]-3:H-1:	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H)	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H){2|H<1>,3|C<4>,6|C<3>}	127.8160	1.393	2	127.8160	1.940	2	127.8160	1.940	2	126.3506	1.874	10	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:4:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{1|C<4>,1|N<3>,4|H<1>,9|C<3>}	127.4770	0.000	1	128.3735	1.390	11	128.0808	1.676	13	128.0808	1.676	13	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:4:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	128.2415	1.119	6	128.3735	1.390	11	128.0808	1.676	13	128.0808	1.676	13	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:4:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	129.3680	2.061	2	128.3735	1.390	11	128.0808	1.676	13	128.0808	1.676	13	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:4:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	128.2230	0.680	2	128.3735	1.390	11	128.0808	1.676	13	128.0808	1.676	13	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a,6]	C[5a]	B[6]	4:3:3:	3:3:4:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	126.4710	0.294	2	126.4710	0.087	2	128.0808	1.676	13	128.0808	1.676	13	126.9096	1.981	1185	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a]	C[5a]	B[6]	4:3:2:	3:3:1:	3:3:3:1:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,2|N<3>}	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,2|H<1>,7|C<3>}	125.9235	0.762	2	127.5968	8.573	4	127.5968	8.573	4	127.5968	8.573	4	129.0354	7.535	10	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a]	C[5a]	B[6]	4:3:2:	3:3:1:	3:3:3:1:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,3|H<1>,6|C<3>}	129.2700	3.734	2	127.5968	8.573	4	127.5968	8.573	4	127.5968	8.573	4	129.0354	7.535	10	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a]	C[5a]	B[6]	4:3:2:	3:3:1:	3:3:3:2:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5,6]-3:N[5,6]-3:N[5a]-3:O-2:	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6])	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|N<3>}	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6]){1|B<4>,3|H<1>,6|C<3>}	127.8115	1.329	2	127.8115	1.765	2	127.8115	1.765	2	127.8115	1.765	2	129.0354	7.535	10	127.0245	2.255	1287
813	727	874	0:SP2_SP2_SP3	N[5a]	C[5a]	B[6]	4:3:2:	3:3:1:	3:3:3:3:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|H<1>,3|N<3>}	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2{1|B<4>,4|H<1>,8|C<3>}	131.0860	2.020	4	131.0860	4.079	4	131.0860	4.079	4	131.0860	4.079	4	129.0354	7.535	10	127.0245	2.255	1287
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Br-1:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(Br)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(Br){3|N<2>,6|C<3>}	122.6617	0.427	3	122.4914	0.142	12	122.4914	0.142	12	122.6192	0.125	98	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Br-1:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(Br)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(Br){3|N<2>,6|C<3>}	122.3358	0.271	6	122.4914	0.142	12	122.4914	0.142	12	122.6192	0.125	98	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Br-1:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(Br)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(Br){3|N<2>,6|C<3>}	122.6323	0.521	3	122.4914	0.142	12	122.4914	0.142	12	122.6192	0.125	98	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl){3|N<2>,6|C<3>}	122.4740	0.329	6	122.6094	0.126	65	122.6094	0.126	65	122.6192	0.125	98	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl){3|N<2>,6|C<3>}	122.6526	0.334	42	122.6094	0.126	65	122.6094	0.126	65	122.6192	0.125	98	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl){3|N<2>,6|C<3>}	122.7708	0.246	6	122.6094	0.126	65	122.6094	0.126	65	122.6192	0.125	98	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl){3|N<2>,6|C<3>}	122.4300	0.444	11	122.6094	0.126	65	122.6094	0.126	65	122.6192	0.125	98	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(F)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(F){3|N<2>,6|C<3>}	122.8900	0.253	3	122.7229	0.103	21	122.7229	0.103	21	122.6192	0.125	98	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(F)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,2|F<1>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(F){3|N<2>,6|C<3>}	122.6950	0.329	18	122.7229	0.103	21	122.7229	0.103	21	122.6192	0.125	98	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](C[5a,6a]C[5a,6a]C[6,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	122.6040	0.322	2	122.6040	0.104	2	122.9278	0.554	12	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	123.2908	0.909	6	122.9926	0.637	10	122.9278	0.554	12	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	122.5452	0.301	4	122.9926	0.637	10	122.9278	0.554	12	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-2:	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(CC)	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C){2|C<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|C<3>,1|N<2>,2|N<3>,3|C<2>}	B[3x6](N[5a,6,6]C[5a,6]2)3(CC){3|N<2>,6|C<3>}	122.7541	0.273	11	122.7541	0.074	11	122.7541	0.074	11	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(CC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<2>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(CC){3|N<2>,6|C<3>}	122.9201	0.282	24	122.9201	0.080	24	122.9201	0.080	24	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6]){3|N<2>,6|C<3>}	122.8758	1.074	5	123.0931	0.274	29	122.8674	0.274	372	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6]){3|N<2>,6|C<3>}	123.1384	0.346	24	123.0931	0.274	29	122.8674	0.274	372	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	122.8042	0.384	24	122.8042	0.148	24	122.8674	0.274	372	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	122.6531	0.602	36	122.8655	0.283	253	122.8674	0.274	372	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	122.9007	0.513	217	122.8655	0.283	253	122.8674	0.274	372	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	123.0968	0.389	6	123.0968	0.152	6	122.8674	0.274	372	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OS)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OS){3|N<2>,6|C<3>}	122.7493	0.512	48	122.7493	0.262	48	122.8674	0.274	372	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi){3|N<2>,6|C<3>}	122.9880	0.311	11	122.9880	0.097	11	122.8674	0.274	372	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]N[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){2|N<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]N[6a])(N[6]C[5a,6]){1|O<2>,2|C<3>,2|N<2>,2|N<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	121.2660	0.000	1	121.2660	0.000	1	122.8674	0.274	372	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:2:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:S-2:	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(SC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S){6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(SC[6a]){3|N<2>,6|C<3>}	122.6417	0.620	6	122.6417	0.384	6	122.6417	0.384	6	122.8659	0.266	425	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	3:3:4:	3:3:3:	3:3:3:2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi)	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O){8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,2|N<3>,6|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi){9|C<3>}	122.6193	0.409	6	122.6193	0.167	6	122.6193	0.167	6	122.6193	0.167	6	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:2:	3:3:3:1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5,6,6]-3:Cl-1:	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5,6])	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl)	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2{6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5,6]){1|Cl<1>,1|C<4>,1|F<1>,1|N<2>,2|C<3>,2|N<3>}	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl){2|C<4>,3|N<2>,4|C<3>}	122.6960	0.092	2	122.6960	0.008	2	122.4390	0.162	4	122.4390	0.162	4	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:2:	3:3:3:1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5,6,6]-3:Cl-1:	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl)	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2{6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl){2|C<4>,3|N<2>,4|C<3>}	122.1820	0.462	2	122.1820	0.214	2	122.4390	0.162	4	122.4390	0.162	4	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	124.2340	0.000	1	123.9360	0.462	11	123.8111	0.356	17	123.8111	0.356	17	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|N<2>,1|O<2>,2|C<3>,2|N<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	123.0840	0.000	1	123.9360	0.462	11	123.8111	0.356	17	123.8111	0.356	17	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	123.9976	0.687	9	123.9360	0.462	11	123.8111	0.356	17	123.8111	0.356	17	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	123.5822	0.345	6	123.5822	0.119	6	123.8111	0.356	17	123.8111	0.356	17	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:2:	3:3:3:3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5]-3:	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(N[5]C[5]2)	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(N[5]C[5]2){2|O<1>,3|N<2>,8|C<3>}	122.9498	0.591	12	122.9498	0.349	12	122.9498	0.349	12	122.9498	0.349	12	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:2:	3:3:3:4:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[5]-4:	N[5a,6,6](B[3x6]N[5a,6,6]2C[5])(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[3x6](N[5a,6,6]C[5a,6]2)3(C[5]C[5]2Fe)	N[5a,6,6](B[3x6]N[5a,6,6]2C[5])(C[5a,6]C[5a,6a]N[6])2{1|Fe<10>,2|C<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(C[5]C[5]2Fe){2|C<4>,2|H<1>,3|N<2>,6|C<3>}	122.9153	0.277	11	122.9153	0.077	11	122.9153	0.077	11	122.9153	0.077	11	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:3:	3:3:2:2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	121.7536	0.229	8	121.7536	0.053	8	121.7536	0.053	8	124.4968	8.133	16	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:3:	3:3:2:2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	127.2400	0.418	8	127.2400	0.174	8	127.2400	0.174	8	124.4968	8.133	16	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:3:	3:3:3:1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	B[3x6](N[5a,6,6]C[5a,6]2)3(F)	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,2|N<3>,4|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(F){9|C<3>}	123.8096	0.632	12	123.8096	0.399	12	123.8096	0.399	12	123.7289	0.643	29	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:3:	3:3:3:1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:H-1:	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	B[3x6](N[5a,6,6]C[5a,6]2)3(H)	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(H){9|C<3>}	123.6719	0.918	17	123.6719	0.843	17	123.6719	0.843	17	123.7289	0.643	29	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:3:	3:3:3:2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|S<2>,2|N<3>,3|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	124.1280	0.861	6	124.1280	0.741	6	123.8059	0.686	60	123.8059	0.686	60	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:3:	3:3:3:2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|C<4>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|N<3>,4|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	123.2907	0.784	6	123.2907	0.614	6	123.8059	0.686	60	123.8059	0.686	60	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:3:	3:3:3:2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|N<3>,4|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	123.8300	0.818	48	123.8300	0.670	48	123.8059	0.686	60	123.8059	0.686	60	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:3:	3:3:3:3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-3:	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC)	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,5|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC){9|C<3>}	123.8308	0.544	6	123.8308	0.295	6	123.8308	0.295	6	123.9647	0.591	12	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[3x6]	4:3:3:	3:3:3:	3:3:3:3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	B[3x6](N[5a,6,6]C[5a,6]2)3(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,5|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(C[6a]C[6a]2){11|C<3>,2|H<1>}	124.0985	0.981	6	124.0985	0.962	6	124.0985	0.962	6	123.9647	0.591	12	123.0267	0.667	690	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[6,6]	3:3:4:	3:3:3:	3:3:2:4:	C[5a,6]-3:C[5a,6]-3:B[6,6]-4:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C){1|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	122.4510	0.000	1	122.4510	0.000	1	122.4510	0.000	1	123.7895	3.583	2	124.2359	4.538	8	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[6,6]	3:3:4:	3:3:3:	3:3:2:4:	C[5a,6]-3:C[5a,6]-3:B[6,6]-4:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C){1|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	125.1280	0.000	1	125.1280	0.000	1	125.1280	0.000	1	123.7895	3.583	2	124.2359	4.538	8	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[6,6]	3:4:3:	3:3:2:	3:3:2:1:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	126.0010	0.000	1	126.0010	0.000	1	126.0010	0.000	1	126.0010	0.000	1	124.2359	4.538	8	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[6,6]	3:4:3:	3:3:3:	3:3:2:1:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H){1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	124.5640	0.000	1	124.5640	0.000	1	124.5640	0.000	1	124.5640	0.000	1	124.2359	4.538	8	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[6,6]	3:4:3:	3:3:3:	3:3:2:3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	124.0810	6.014	2	124.2359	4.538	8	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[6,6]	3:4:3:	3:3:3:	3:3:2:3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	125.8150	0.000	1	125.8150	0.000	1	125.8150	0.000	1	124.0810	6.014	2	124.2359	4.538	8	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[6,6]	4:3:3:	3:3:3:	3:3:3:2:	B[6,6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	120.7820	0.000	1	120.7820	0.000	1	120.7820	0.000	1	123.7905	18.102	2	124.2359	4.538	8	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6,6]	C[5a,6]	B[6,6]	4:3:3:	3:3:3:	3:3:3:2:	B[6,6]-4:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	126.7990	0.000	1	126.7990	0.000	1	126.7990	0.000	1	123.7905	18.102	2	124.2359	4.538	8	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5a,6,6]-3:C[5a,6a]-3:B[6]-4:	C[5a,6]-3:N[5a,6]-3:C[6,6]-3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6])	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|C<2>,1|H<1>,5|C<3>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6]){1|H<1>,1|N<3>,1|S<2>,2|O<2>,3|C<3>}	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|S<2>,6|C<3>}	123.9380	0.000	1	123.9380	0.000	1	123.9380	0.000	1	123.9380	0.000	1	123.2035	1.079	2	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:C[6,6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2{2|H<1>,5|C<3>}	122.4690	0.000	1	122.4690	0.000	1	122.4690	0.000	1	122.4690	0.000	1	123.2035	1.079	2	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	124.9230	0.000	1	124.9230	0.000	1	124.2263	0.462	3	123.6472	0.888	6	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	123.8780	0.443	2	123.8780	0.196	2	124.2263	0.462	3	123.6472	0.888	6	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6])	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2{1|C<4>,6|C<3>}	123.0790	0.000	1	123.0790	0.000	1	123.0790	0.000	1	123.6472	0.888	6	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2{1|O<2>,6|C<3>}	123.9290	0.000	1	123.9290	0.000	1	123.9290	0.000	1	123.6472	0.888	6	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){7|C<3>}	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	122.1960	0.000	1	122.1960	0.000	1	122.1960	0.000	1	123.6472	0.888	6	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:N[5,6]-3:C-2:C-2:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC){1|H<1>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|C<2>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2{1|S<2>,6|C<3>}	122.4860	0.000	1	122.4860	0.000	1	122.4860	0.000	1	123.5105	2.099	2	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|H<1>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,2|H<1>,3|C<3>,3|O<2>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|O<2>,6|C<3>}	124.5350	0.000	1	124.5350	0.000	1	124.5350	0.000	1	123.5105	2.099	2	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:3:4:	3:3:3:	3:3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2){10|C<3>,1|H<1>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{10|C<3>,1|S<2>,4|H<1>}	123.9060	0.000	1	123.9060	0.000	1	123.9060	0.000	1	123.9060	0.000	1	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:4:3:	3:3:3:	3:3:3:3:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H){1|H<1>,8|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	125.5155	0.248	2	125.5155	0.062	2	125.5155	0.062	2	125.5155	0.062	2	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6,6a]	B[6]	3:4:3:	3:3:3:	3:3:4:4:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[5,6]-3:C-4:C-4:	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,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2	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>}	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6]){1|H<1>,2|C<4>,3|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	123.6329	2.622	12	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6,6]	4:3:3:	3:3:2:	3:3:2:1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2){1|H<1>,1|S<2>,5|C<3>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	120.9410	0.000	1	120.9410	0.000	1	120.9410	0.000	1	120.9410	0.000	1	121.8330	0.583	4	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6,6]	4:3:3:	3:3:3:	3:3:2:3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	121.8830	0.000	1	121.8830	0.000	1	121.8830	0.000	1	121.8830	0.000	1	121.8330	0.583	4	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6,6]	4:3:3:	3:3:3:	3:3:2:4:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	121.7080	0.000	1	121.7080	0.000	1	121.7080	0.000	1	121.7080	0.000	1	121.8330	0.583	4	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6,6]	4:3:3:	3:3:3:	3:3:3:2:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	122.8000	0.000	1	122.8000	0.000	1	122.8000	0.000	1	122.8000	0.000	1	121.8330	0.583	4	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:Cl-1:Cl-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2){6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2{1|N<2>,6|C<3>}	122.3395	0.282	2	122.3395	0.080	2	122.3395	0.080	2	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|S<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	121.7900	0.044	2	121.7900	0.002	2	121.8087	0.701	6	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	123.3380	0.000	1	123.3380	0.000	1	121.8087	0.701	6	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	121.4955	0.465	2	121.4955	0.216	2	121.8087	0.701	6	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){2|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|N<2>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	120.9430	0.000	1	120.9430	0.000	1	121.8087	0.701	6	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6]){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	122.1640	0.000	1	122.1640	0.000	1	122.2641	0.833	19	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6]){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	124.1460	0.000	1	124.1460	0.000	1	122.2641	0.833	19	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	122.0861	0.833	14	122.1593	0.704	17	122.2641	0.833	19	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	122.5007	0.955	3	122.1593	0.704	17	122.2641	0.833	19	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2{1|C<4>,1|N<2>,1|S<2>,4|C<3>}	124.9230	0.047	2	124.9230	0.002	2	124.9277	0.001	3	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|N<2>,1|S<2>,5|C<3>}	124.9370	0.000	1	124.9370	0.000	1	124.9277	0.001	3	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|Cl<1>,1|N<2>,5|C<3>}	124.4110	0.000	1	123.1450	3.206	2	123.1450	3.206	2	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	121.8790	0.000	1	123.1450	3.206	2	123.1450	3.206	2	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF){6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{1|N<2>,6|C<3>}	121.3450	0.018	2	121.3450	0.000	2	121.3450	0.000	2	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[6,6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[6,6]){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	123.2740	0.710	2	123.2740	0.504	2	123.2740	0.504	2	122.4683	1.389	36	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:2:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:C-2:F-1:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF){1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|C<2>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F){1|N<2>,6|C<3>}	122.6170	0.249	2	122.6170	0.062	2	122.6170	0.062	2	122.6170	0.062	2	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:2:2:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{1|N<2>,6|C<3>}	122.1605	0.504	2	122.1605	0.254	2	122.1605	0.254	2	122.1605	0.254	2	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:3:3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2){10|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	122.7160	1.710	2	122.7160	2.923	2	122.7160	2.923	2	121.9352	1.156	6	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:2:	3:3:3:3:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:C-3:C-3:	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2{1|N<2>,6|C<3>}	121.5447	0.585	4	121.5447	0.342	4	121.5447	0.342	4	121.9352	1.156	6	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[4,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:O[6]-2:F-1:F-1:	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF)	C[5a,6](C[4,6]C[4,6]C[4])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF){2|C<3>,2|C<4>}	C[5a,6](C[4,6]C[4,6]C[4])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2{1|C<4>,4|C<3>}	124.4610	0.000	1	124.4610	0.000	1	124.4610	0.000	1	124.4610	0.000	1	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,5a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{2|C<4>,5|C<3>}	124.1940	0.000	1	124.1940	0.000	1	124.1940	0.000	1	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	123.3260	0.110	2	123.3260	0.012	2	125.9185	1.534	20	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,1|S<2>,5|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	124.7015	0.272	2	124.7015	0.074	2	125.9185	1.534	20	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	126.4542	0.809	14	126.4542	0.654	14	125.9185	1.534	20	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|O<2>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	125.9775	0.350	2	125.9775	0.123	2	125.9185	1.534	20	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){2|F<1>,2|N<3>,4|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|N<3>,5|C<3>}	124.4410	0.000	1	124.4410	0.000	1	125.4102	0.548	6	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|O<2>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|O<2>,5|C<3>}	125.3030	0.099	2	125.3030	0.010	2	125.4102	0.548	6	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|S<2>,5|C<3>}	124.9850	0.000	1	124.9850	0.000	1	125.4102	0.548	6	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|S<2>,5|C<3>}	126.2145	0.541	2	126.2145	0.293	2	125.4102	0.548	6	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C)	B[6](N[5a,6]C[5a,6]2)2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]2)2(F)2{7|C<3>}	123.3040	0.509	2	123.3040	0.259	2	124.4470	1.837	4	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2{2|C<4>,5|C<3>}	125.5900	0.161	2	125.5900	0.026	2	124.4470	1.837	4	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H)	B[6](N[5a,6]C[5a,6]2)2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]2)2(F)2{2|C<4>,5|C<3>}	122.3990	0.457	4	122.3990	0.209	4	122.3990	0.209	4	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6,6]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>,3|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	124.4260	0.416	2	124.4260	0.173	2	124.4260	0.173	2	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF){2|C<4>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|C<4>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	124.3166	0.766	7	124.3166	0.587	7	124.3166	0.587	7	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,7|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	123.4430	1.700	2	123.4430	2.890	2	123.7260	0.778	7	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	123.6022	0.380	4	123.6022	0.144	4	123.7260	0.778	7	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	124.7870	0.000	1	124.7870	0.000	1	123.7260	0.778	7	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	123.0925	0.234	2	123.0925	0.055	2	122.7695	0.860	23	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	122.4488	0.445	5	122.1529	0.614	7	122.7695	0.860	23	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	120.5880	0.000	1	122.1529	0.614	7	122.7695	0.860	23	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	122.2380	0.000	1	122.1529	0.614	7	122.7695	0.860	23	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	122.8636	0.847	12	122.8636	0.717	12	122.7695	0.860	23	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>,3|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	124.7760	0.000	1	124.7760	0.000	1	122.7695	0.860	23	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){2|N<3>,3|C<3>,3|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<3>,6|C<3>}	123.3040	0.000	1	123.3040	0.000	1	122.7695	0.860	23	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF)	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF){5|C<3>}	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	126.7520	0.507	3	126.7520	0.257	3	126.7520	0.257	3	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF){2|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	120.3015	0.153	4	120.3015	0.023	4	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF){1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	124.1995	0.193	2	124.1995	0.037	2	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	123.7035	0.629	4	123.7035	0.396	4	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,1|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	124.3300	0.492	2	123.5164	1.158	16	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Cl<1>,1|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	123.8838	1.059	8	123.5164	1.158	16	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	122.5315	0.173	2	123.5164	1.158	16	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	122.8675	1.036	4	123.5164	1.158	16	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	122.7360	0.069	3	122.7360	0.005	3	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|N<3>,5|C<3>}	124.2220	0.755	4	124.2220	0.570	4	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	122.1610	0.000	1	122.1610	0.000	1	123.1747	1.954	34	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,5|C<3>}	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|C<4>,3|C<3>}	122.4930	0.000	1	122.4930	0.000	1	123.2020	1.005	2	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF){1|C<3>,1|N<2>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H){1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|H<1>,3|C<3>}	123.9110	0.000	1	123.9110	0.000	1	123.2020	1.005	2	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|N<3>,5|C<3>}	122.6560	0.000	1	122.6560	0.000	1	122.6560	0.000	1	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	124.7396	0.737	7	124.6397	0.726	10	124.6397	0.726	10	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N){1|Pd<4>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	124.4067	1.233	3	124.6397	0.726	10	124.6397	0.726	10	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF){1|C<2>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|S<2>,6|C<3>}	126.3490	0.000	1	126.3490	0.000	1	126.3490	0.000	1	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	124.9045	0.725	2	124.9045	0.525	2	124.9045	0.525	2	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	124.8740	0.000	1	124.8740	0.000	1	124.6875	0.070	2	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	124.5010	0.000	1	124.5010	0.000	1	124.6875	0.070	2	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	125.0760	0.054	2	125.0760	0.003	2	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	122.8500	0.000	1	122.8500	0.000	1	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	122.6447	0.553	3	122.6447	0.306	3	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	126.7410	0.000	1	126.7410	0.000	1	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	126.4675	0.626	2	126.4675	0.392	2	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	123.1250	0.000	1	124.8574	2.894	5	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	122.9590	0.000	1	124.8574	2.894	5	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	126.0677	0.537	3	124.8574	2.894	5	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	123.3505	0.522	4	123.2924	0.221	5	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	123.0600	0.000	1	123.2924	0.221	5	124.2822	2.610	19	124.0313	2.753	149	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC){1|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{7|C<3>}	122.1265	0.682	2	122.1265	0.466	2	122.1265	0.466	2	122.1265	0.466	2	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	122.7107	0.355	4	122.7107	0.126	4	122.7107	0.126	4	122.7107	0.126	4	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I){2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|I<1>,1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|I<1>,5|C<3>}	125.5280	0.447	4	125.5280	0.200	4	125.5280	0.200	4	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>,3|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	125.1480	0.000	1	125.1480	0.000	1	125.1480	0.000	1	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2{2|H<1>,5|C<3>}	127.4880	0.000	1	127.4880	0.000	1	127.4880	0.000	1	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	123.5100	0.000	1	123.5100	0.000	1	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|Br<1>,1|N<3>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,6|C<3>}	125.6650	0.000	1	125.6650	0.000	1	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	123.7260	0.443	2	123.5797	0.345	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	122.5410	0.000	1	123.5797	0.345	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	122.6200	0.000	1	123.5797	0.345	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	123.7085	0.316	4	123.5797	0.345	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	123.8095	0.159	2	123.5797	0.345	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	123.9450	0.888	2	123.5797	0.345	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	125.7925	0.235	2	125.7925	0.055	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	125.8800	0.000	1	126.1268	0.041	6	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,6|C<3>}	126.2890	0.000	1	126.1268	0.041	6	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	126.1480	0.195	4	126.1268	0.041	6	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	125.8114	0.784	7	125.7409	0.360	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	125.7350	0.000	1	125.7409	0.360	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|O<2>,5|C<3>}	125.5560	0.000	1	125.7409	0.360	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	125.6400	0.293	3	125.7409	0.360	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.6710	0.250	2	125.5906	0.299	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.3669	0.460	8	125.5906	0.299	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	126.4050	0.028	2	125.5906	0.299	12	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	125.3470	0.132	2	125.3470	0.017	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.5060	0.031	3	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	125.9830	0.331	2	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<1>,5|C<3>}	125.3325	0.308	2	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|I<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<1>,5|C<3>}	125.0705	1.240	2	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.6164	0.503	11	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.5335	0.040	2	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.3495	0.534	179	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.0500	0.272	2	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	125.0681	1.130	9	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.2860	0.419	13	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,2|F<1>,2|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.9350	0.049	2	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|S<2>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.8085	0.870	2	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.3107	0.431	26	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	125.3585	0.074	2	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	126.3200	0.000	1	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.4030	0.000	1	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.4455	0.409	48	125.3730	0.281	307	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	125.1030	0.000	1	125.3095	0.085	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	125.5160	0.000	1	125.3095	0.085	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	122.3990	0.000	1	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|C<2>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	125.2880	0.006	2	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	125.7760	0.062	2	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	124.6600	0.000	1	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	124.2665	0.210	2	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.1419	0.295	27	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.3290	0.000	1	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,6|C<3>}	125.2910	0.000	1	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	124.5924	0.818	9	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	124.4657	1.074	7	124.9012	0.531	53	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	126.0010	0.402	4	126.0010	0.161	4	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a]){2|Cl<1>,1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	126.5085	0.378	2	126.5085	0.143	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Cl<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	125.5255	0.269	2	125.6654	0.322	11	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,6|C<3>}	125.9540	0.000	1	125.6654	0.322	11	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	125.6642	0.657	8	125.6654	0.322	11	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	126.7550	0.000	1	125.8139	0.388	17	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.0535	0.049	2	125.8139	0.388	17	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.7358	0.667	10	125.8139	0.388	17	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.6543	0.587	4	125.8139	0.388	17	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|N<3>,5|C<3>}	123.9820	0.000	1	124.2470	0.140	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|S<2>,5|C<3>}	124.5120	0.000	1	124.2470	0.140	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	126.6960	0.000	1	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.7100	0.821	3	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	124.0840	0.000	1	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.1870	0.000	1	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|I<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	126.5750	0.511	4	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	124.9592	0.548	17	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.8620	0.000	1	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	126.3860	0.000	1	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	126.4365	0.622	4	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|O<2>,5|C<3>}	126.4523	0.153	3	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<4>,5|C<3>}	126.8710	0.000	1	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	126.2386	0.638	15	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.5025	0.621	113	125.5957	0.524	165	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	125.6035	0.422	2	125.6035	0.178	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|Br<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,2|F<1>,2|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	126.8060	0.000	1	126.8060	0.000	1	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	125.3460	0.000	1	124.7225	2.557	8	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	124.6334	1.706	7	124.7225	2.557	8	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|O<2>,5|C<3>}	126.0430	0.000	1	125.0443	0.472	4	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|O<2>,5|C<3>}	124.7113	0.206	3	125.0443	0.472	4	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Pd<4>,5|C<3>}	123.4775	0.138	2	123.4775	0.019	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|Br<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	125.4065	0.026	2	125.4065	0.001	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<4>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<4>,5|C<3>}	123.3820	0.000	1	123.3820	0.000	1	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|Br<1>,1|S<2>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	125.2860	0.757	2	125.2860	0.572	2	125.3787	0.534	633	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	124.4850	0.778	2	124.4868	0.304	4	124.8200	0.783	5	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|O<2>,2|C<4>,3|C<3>}	124.8800	0.000	1	124.4868	0.304	4	124.8200	0.783	5	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	124.0970	0.000	1	124.4868	0.304	4	124.8200	0.783	5	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|H<1>,3|C<3>,3|C<4>}	126.1530	0.000	1	126.1530	0.000	1	124.8200	0.783	5	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	124.8235	0.008	2	124.8235	0.000	2	124.6536	1.571	10	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H){1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	124.4925	0.780	4	124.4925	0.608	4	124.6536	1.571	10	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	125.6340	0.195	2	125.6340	0.038	2	124.6536	1.571	10	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|O<2>,5|C<3>}	123.8255	2.971	2	123.8255	8.824	2	124.6536	1.571	10	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,5|C<3>}	120.9100	0.000	1	120.9100	0.000	1	122.1461	1.333	11	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){2|Br<1>,1|B<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	122.7740	0.000	1	122.7740	0.000	1	122.1461	1.333	11	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	123.2600	0.074	2	122.4221	0.553	7	122.1461	1.333	11	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	122.1180	1.090	2	122.4221	0.553	7	122.1461	1.333	11	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	122.0575	0.392	2	122.4221	0.553	7	122.1461	1.333	11	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|Se<2>,1|B<4>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	122.0840	0.000	1	122.4221	0.553	7	122.1461	1.333	11	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,2|H<1>,4|C<3>}	123.3120	0.000	1	123.3120	0.000	1	122.1461	1.333	11	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){1|Br<1>,1|B<4>,2|F<1>,2|N<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,1|N<3>,4|C<3>}	119.6560	0.000	1	119.6560	0.000	1	122.1461	1.333	11	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	125.2270	0.000	1	125.2280	0.000	2	123.2763	11.427	3	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	125.2290	0.000	1	125.2280	0.000	2	123.2763	11.427	3	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|N<4>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|N<4>,1|O<1>,5|C<3>}	119.3730	0.000	1	119.3730	0.000	1	123.2763	11.427	3	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<3>,6|C<3>}	125.2490	0.000	1	123.6537	0.908	9	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	123.4543	0.793	8	123.6537	0.908	9	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	122.4070	0.000	1	122.4070	0.000	1	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	124.8840	0.593	2	124.8840	0.351	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,2|Cl<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){1|Br<1>,1|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	126.1660	0.281	2	126.1660	0.079	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2){2|Br<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	126.0860	0.000	1	126.0860	0.000	1	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	124.7270	0.363	2	124.7270	0.132	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|O<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	125.8230	0.123	2	125.8230	0.015	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<2>,5|C<3>}	126.8780	0.000	1	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	126.1560	0.033	2	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.9330	0.071	2	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.3301	0.414	7	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	124.8250	0.578	2	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.5290	0.000	1	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.6503	0.219	3	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.2570	0.000	1	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|I<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.0105	0.527	2	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|N<3>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,2|F<1>,2|N<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.2890	0.000	1	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.6170	0.576	3	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	124.8030	0.000	1	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	125.3490	0.000	1	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	124.9980	0.333	3	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.0745	0.030	2	125.5378	0.306	32	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.1298	0.486	4	125.1298	0.237	4	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.3275	0.120	2	125.4628	0.097	14	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.4443	0.310	10	125.4628	0.097	14	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.6905	0.482	2	125.4628	0.097	14	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{2|C<4>,5|C<3>}	125.6480	0.000	1	125.6480	0.000	1	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.0810	0.000	1	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.3580	0.000	1	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<2>,1|C<4>,5|C<3>}	125.0905	0.419	2	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	124.8135	0.407	2	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|N<3>,5|C<3>}	126.1410	0.000	1	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	124.9740	0.215	5	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	124.9537	0.281	4	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	124.4630	0.304	2	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<4>,5|C<3>}	125.5740	0.000	1	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Pd<4>,1|C<4>,5|C<3>}	125.0650	0.000	1	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	124.9374	0.385	8	125.0049	0.162	28	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2{2|C<4>,5|C<3>}	121.3170	0.075	2	121.3170	0.006	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	124.4740	0.000	1	123.4300	5.428	10	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<2>,1|C<4>,5|C<3>}	125.7670	0.430	2	123.4300	5.428	10	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	125.1870	0.000	1	123.4300	5.428	10	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	122.1842	2.202	6	123.4300	5.428	10	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Pt<4>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.5175	0.535	2	126.5175	0.287	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	125.1460	0.000	1	125.8005	0.857	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	126.4550	0.000	1	125.8005	0.857	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<2>,5|C<3>}	126.8250	0.000	1	126.5727	0.048	3	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	126.4465	0.008	2	126.5727	0.048	3	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	125.8937	0.297	4	125.8937	0.088	4	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,2|Cl<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	126.3210	0.308	2	126.3210	0.095	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|H<1>,5|C<3>}	126.3570	0.000	1	126.0088	0.152	5	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	125.9218	0.390	4	126.0088	0.152	5	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<4>,5|C<3>}	125.2780	0.000	1	125.2780	0.000	1	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	126.2498	1.142	4	126.2498	1.305	4	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.5667	0.481	28	125.4423	0.641	67	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.3060	0.709	14	125.4423	0.641	67	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	126.4840	0.000	1	125.4423	0.641	67	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.3331	1.093	24	125.4423	0.641	67	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.6052	0.847	6	125.6052	0.718	6	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	124.9380	1.256	2	124.7647	0.399	6	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	124.6780	0.331	4	124.7647	0.399	6	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.1900	0.060	6	126.2571	0.035	7	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|Cl<1>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|H<1>,5|C<3>}	126.6600	0.000	1	126.2571	0.035	7	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	125.4700	0.000	1	125.8970	0.365	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.3240	0.000	1	125.8970	0.365	2	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	125.0660	0.000	1	125.3053	0.507	4	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	126.3280	0.000	1	125.3053	0.507	4	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	124.9135	0.334	2	125.3053	0.507	4	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	126.2128	1.138	30	126.2128	1.296	30	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.8092	1.359	20	125.8092	1.846	20	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Pt<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	125.1492	1.071	20	125.1492	1.148	20	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<2>,5|C<3>}	126.7510	0.000	1	125.5293	2.104	3	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	124.9185	1.404	2	125.5293	2.104	3	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|C<3>,1|N<3>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Pd<4>,1|C<4>,5|C<3>}	124.3210	0.000	1	124.3210	0.000	1	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<2>,5|C<3>}	124.2860	0.000	1	124.7817	0.234	3	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	125.0295	0.316	2	124.7817	0.234	3	125.3870	1.311	302	125.3303	0.953	970	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:2:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F){2|C<4>,5|C<3>}	124.7605	0.019	2	124.7605	0.000	2	124.5135	0.054	6	124.5135	0.054	6	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:2:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F){2|C<4>,5|C<3>}	124.3900	0.171	4	124.3900	0.029	4	124.5135	0.054	6	124.5135	0.054	6	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{2|C<4>,5|C<3>}	125.5325	0.251	2	125.5325	0.063	2	125.5325	0.063	2	126.3633	0.488	29	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	126.7904	0.288	19	126.7904	0.083	19	126.5031	0.502	23	126.3633	0.488	29	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2{2|C<4>,5|C<3>}	125.4840	0.047	2	125.4840	0.002	2	126.5031	0.502	23	126.3633	0.488	29	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH){2|C<4>,5|C<3>}	124.7925	0.214	2	124.7925	0.046	2	126.5031	0.502	23	126.3633	0.488	29	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<2>,2|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{2|C<4>,5|C<3>}	125.9225	0.313	2	125.9225	0.098	2	125.9225	0.098	2	126.3633	0.488	29	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:2:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|O<2>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	126.0270	0.165	2	126.0270	0.027	2	126.0270	0.027	2	126.3633	0.488	29	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:3:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	122.9090	0.000	1	122.6615	0.123	2	122.6615	0.123	2	122.6615	0.123	2	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:3:2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){2|C<4>,6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	122.4140	0.000	1	122.6615	0.123	2	122.6615	0.123	2	122.6615	0.123	2	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:4:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F){2|H<1>,5|C<3>}	126.2730	0.345	2	126.2730	0.119	2	126.2730	0.119	2	124.4852	4.343	4	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:4:1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F){2|C<4>,5|C<3>}	122.6975	0.354	2	122.6975	0.126	2	122.6975	0.126	2	124.4852	4.343	4	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|C<4>,5|C<3>}	125.2587	0.668	4	125.2587	0.446	4	124.8533	0.723	6	125.4856	2.100	8	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|H<1>,5|C<3>}	124.0425	0.551	2	124.0425	0.303	2	124.8533	0.723	6	125.4856	2.100	8	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	126.5200	0.000	1	126.5200	0.000	1	127.3825	1.488	2	125.4856	2.100	8	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	128.2450	0.000	1	128.2450	0.000	1	127.3825	1.488	2	125.4856	2.100	8	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:4:3:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	128.8140	0.000	1	128.4425	0.276	2	128.4425	0.276	2	128.4425	0.276	2	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	3:4:3:	3:4:3:	3:3:4:4:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,4|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|N<3>,3|C<4>,3|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	128.0710	0.000	1	128.4425	0.276	2	128.4425	0.276	2	128.4425	0.276	2	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|H<1>,7|C<3>}	126.4180	0.393	2	126.4180	0.155	2	126.1082	0.195	4	125.8185	0.291	10	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){4|H<1>,7|C<3>}	125.7985	0.214	2	125.7985	0.046	2	126.1082	0.195	4	125.8185	0.291	10	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	125.9675	0.102	4	125.9675	0.010	4	125.6253	0.294	6	125.8185	0.291	10	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	124.9410	0.187	2	124.9410	0.035	2	125.6253	0.294	6	125.8185	0.291	10	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	121.0615	2.425	2	121.0615	5.879	2	121.3678	3.302	4	123.2322	10.495	6	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	121.6740	1.911	2	121.6740	3.650	2	121.3678	3.302	4	123.2322	10.495	6	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:O-2:	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC)	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC){4|H<1>,7|C<3>}	126.9610	0.926	2	126.9610	0.858	2	126.9610	0.858	2	123.2322	10.495	6	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){2|H<1>,9|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2{2|S<2>,5|H<1>,8|C<3>}	124.0950	0.000	1	124.0950	0.000	1	125.5825	4.425	2	123.5639	3.480	18	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,7|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2{2|S<2>,5|H<1>,8|C<3>}	127.0700	0.000	1	127.0700	0.000	1	125.5825	4.425	2	123.5639	3.480	18	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	125.6935	0.156	2	123.7506	1.900	8	123.7506	1.900	8	123.5639	3.480	18	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,5|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	123.1030	0.801	6	123.7506	1.900	8	123.7506	1.900	8	123.5639	3.480	18	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(C[6a]C[6a]2)2	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(C[6a]C[6a]2)2{1|B<4>,6|H<1>,8|C<3>}	121.2950	0.004	2	121.2950	0.000	2	121.2950	0.000	2	123.5639	3.480	18	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	121.9485	2.794	2	122.3187	2.785	4	123.3985	4.511	6	123.5639	3.480	18	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	122.6890	0.041	2	122.3187	2.785	4	123.3985	4.511	6	123.5639	3.480	18	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{1|C<4>,1|N<3>,4|H<1>,9|C<3>}	125.8810	0.000	1	125.8810	0.000	1	123.3985	4.511	6	123.5639	3.480	18	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,2|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,2|N<3>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{1|C<4>,1|N<3>,4|H<1>,9|C<3>}	125.2350	0.000	1	125.2350	0.000	1	123.3985	4.511	6	123.5639	3.480	18	125.0406	1.825	1259	124.3169	2.361	1975
813	727	874	6:SP2_SP2_SP3	N[5a,6]	C[5a,6]	B[6]	4:3:3:	3:4:3:	3:3:3:1:	B[6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:N[6]-3:H-1:	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H)	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H){2|H<1>,3|C<4>,6|C<3>}	124.0745	0.599	2	124.0745	0.359	2	124.0745	0.359	2	124.0745	0.359	2	125.0406	1.825	1259	124.3169	2.361	1975