856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:Cl-1:Cl-1:	N[6](C[6]C[6]Cl)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl)	B(N[6]C[6]2)(Cl)2	N[6](C[6]C[6]Cl)2(BCl2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	B(N[6]C[6]2)(Cl)2	120.3140	0.721	2	120.3140	0.520	2	120.3140	0.520	2	120.6136	2.008	8	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:Br-1:Br-1:	N[6](C[6]C[6]H)2(BBr2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(N[6]C[6]2)(Br)2	N[6](C[6]C[6]H)2(BBr2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	B(N[6]C[6]2)(Br)2	120.8495	2.086	4	120.8495	4.353	4	120.8495	4.353	4	120.6136	2.008	8	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:Cl-1:Cl-1:	N[6](C[6]C[6]H)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(N[6]C[6]2)(Cl)2	N[6](C[6]C[6]H)2(BCl2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	B(N[6]C[6]2)(Cl)2	120.4415	0.117	2	120.4415	0.014	2	120.4415	0.014	2	120.6136	2.008	8	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:As-2:	N[6](C[6]C[6]H)2(BN[6]As)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(N[6]C[6]2)2(AsC[6a])	N[6](C[6]C[6]H)2(BN[6]As){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	B(N[6]C[6]2)2(AsC[6a])	121.2235	2.098	2	121.2235	4.402	2	121.2235	4.402	2	121.2235	4.402	2	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	B-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[5]-3:C[6a]-3:N[6]-3:	N[6](BC[6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(N[6]C[6]2)	N[6](BC[6a]C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(N[6]C[6]2)	122.2105	3.680	2	122.2105	13.546	2	122.2105	13.546	2	121.7231	3.092	15	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[5]-3:N[6]-3:B-3:	N[6](C[6]C[6]H)2(BC[5]B)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(C[5]C[5]N[5])(N[6]C[6]2)(BNN)	N[6](C[6]C[6]H)2(BC[5]B){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[5]C[5]N[5])(N[6]C[6]2)(BNN)	122.2310	0.972	2	122.2310	0.944	2	122.2310	0.944	2	121.7231	3.092	15	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)2(N[6]C[6]2)	120.6630	0.000	1	120.6630	0.000	1	121.2622	0.367	4	121.7231	3.092	15	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<3>,2|C<3>}	B(C[6a]C[6a]2)2(N[6]C[6]2)	120.8760	0.000	1	120.8760	0.000	1	121.2622	0.367	4	121.7231	3.092	15	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]H)2(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)	N[6](C[6]C[6]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)2(N[6]C[6]2)	121.7550	0.325	2	121.7550	0.106	2	121.2622	0.367	4	121.7231	3.092	15	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6]H)2(BC[6a]C)	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	N[6](C[6]C[6]H)2(BC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	120.5750	0.000	1	120.5750	0.000	1	120.9268	0.122	6	121.7231	3.092	15	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6]H)2(BC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	N[6](C[6]C[6]H)2(BC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	120.9140	0.328	4	120.9972	0.116	5	120.9268	0.122	6	121.7231	3.092	15	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6]H)2(BC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	N[6](C[6]C[6]H)2(BC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	121.3300	0.000	1	120.9972	0.116	5	120.9268	0.122	6	121.7231	3.092	15	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]N[6]B)(H)	B(N[6]C[6]N[6])(C[6a]C[6a]2)2	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(N[6]N[6]B)(H){1|B<3>,1|C<3>,1|H<1>}	B(N[6]C[6]N[6])(C[6a]C[6a]2)2	126.3540	0.000	1	126.3540	0.000	1	126.3540	0.000	1	121.7231	3.092	15	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:B-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:Br-1:Br-1:	N[6](C[6]C[6a]C[6])2(BBr2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	B(N[6]C[6]2)(Br)2	N[6](C[6]C[6a]C[6])2(BBr2){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|H<1>,2|C<4>,4|C<3>}	B(N[6]C[6]2)(Br)2	119.0093	0.186	3	119.0093	0.034	3	119.0093	0.034	3	119.0093	0.034	3	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN)	B(C[6a]C[6a]2)2(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)	124.1920	0.000	1	124.1920	0.000	1	125.6350	4.164	2	125.6350	4.164	2	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN)	B(C[6a]C[6a]2)2(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN){1|B<3>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)	127.0780	0.000	1	127.0780	0.000	1	125.6350	4.164	2	125.6350	4.164	2	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:C-4:	N[6]-3:Cl-1:Cl-1:	N[6](C[6]C[6]C)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	B(N[6]C[6]2)(Cl)2	N[6](C[6]C[6]C)2(BCl2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(N[6]C[6]2)(Cl)2	118.9765	0.732	2	118.9765	0.536	2	118.9765	0.536	2	118.9765	0.536	2	121.2970	4.416	33	121.2970	4.416	33
856	762	770	0:SP2_SP2_SP2	N[6]	C[6]	B	4:3:3:	3:3:1:	3:3:3:	C[6]-4:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){2|C<3>,2|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	123.3480	0.000	1	123.3480	0.000	1	123.3480	0.000	1	123.3480	0.000	1	121.2970	4.416	33	121.2970	4.416	33
856	762	786	0:SP2_SP2_SP3	N[6,6]	C[6]	B[5,6]	4:3:3:	3:3:1:	3:3:2:2:	B[5,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:O[5]-2:O[5]-2:	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2{1|O<2>,2|H<1>,4|C<3>,4|C<4>}	121.8590	0.000	1	121.8590	0.000	1	121.8590	0.000	1	121.8590	0.000	1	117.7040	6.281	5	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6,6]	C[6]	B[5,6]	4:3:3:	3:3:1:	3:3:3:2:	B[5,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6,6]-3:O[6]-2:	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	118.1430	0.000	1	118.1430	0.000	1	118.1430	0.000	1	118.1430	0.000	1	117.7040	6.281	5	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6,6]	C[6]	B[5,6]	4:3:3:	3:3:1:	4:3:4:3:	B[5,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6a]-3:	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){12|C<3>,3|H<1>}	115.9320	0.000	1	116.1727	0.316	3	116.1727	0.316	3	116.1727	0.316	3	117.7040	6.281	5	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6,6]	C[6]	B[5,6]	4:3:3:	3:3:1:	4:3:4:3:	B[5,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6a]-3:	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,9|C<3>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){12|C<3>,3|H<1>}	116.2930	0.738	2	116.1727	0.316	3	116.1727	0.316	3	116.1727	0.316	3	117.7040	6.281	5	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:2:	3:2:4:	3:3:3:4:	B[5]-4:C[6]-3:C[6]-2:	N[6]-3:C[6]-2:C-4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:C-4:	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6])	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH)	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6]){1|C<2>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH){1|C<2>,1|C<4>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	125.3380	0.000	1	125.3380	0.000	1	125.3380	0.000	1	125.3380	0.000	1	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:2:2:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O[5]-2:O[5]-2:	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](N[6]C[6]2)2(O[5]C[5])2	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	B[5](N[6]C[6]2)2(O[5]C[5])2{4|C<3>,4|C<4>,4|H<1>}	120.2485	1.400	4	120.2485	1.961	4	120.2485	1.961	4	120.2485	1.961	4	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:N[6]-3:Cl-1:	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl)	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl){2|H<1>,8|C<3>}	120.8745	6.464	2	120.8745	41.779	2	120.8745	41.779	2	120.8745	41.779	2	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N-2:	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN){4|H<1>,6|C<3>}	120.8715	3.703	2	120.6699	2.746	10	120.6699	2.746	10	120.6699	2.746	10	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N-2:	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN){4|H<1>,6|C<3>}	120.6195	1.248	8	120.6699	2.746	10	120.6699	2.746	10	120.6699	2.746	10	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[6]-3:	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){5|H<1>,9|C<3>}	120.9085	1.766	6	120.9085	3.118	6	120.9085	3.118	6	120.8524	6.431	14	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2){1|C<4>,3|H<1>,6|C<3>}	120.8950	2.751	2	120.8950	7.566	2	120.8950	7.566	2	120.8524	6.431	14	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2{10|C<3>,4|H<1>}	120.2580	4.743	2	120.2580	22.499	2	120.2580	22.499	2	120.8524	6.431	14	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:N[6]-3:	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2)	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,6|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2){10|C<3>,3|H<1>}	121.4010	1.056	2	121.4010	1.116	2	121.4010	1.116	2	120.8524	6.431	14	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:N[6]-3:	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|Si<4>,2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2){1|B<4>,4|H<1>,5|C<3>}	120.6870	5.954	2	120.6870	35.448	2	120.6870	35.448	2	120.8524	6.431	14	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:3:4:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:C-4:	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH)	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH){1|C<4>,2|H<1>,6|C<3>}	116.6860	0.000	1	116.6860	0.000	1	116.6860	0.000	1	116.6860	0.000	1	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:N[6]-3:	N[6](B[5]C[5]3)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2)	N[6](B[5]C[5]3)(C[6]C[6]H)2{1|Mn<8>,2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2){2|C<4>,4|H<1>,8|C<3>}	121.4250	4.298	2	121.4250	18.471	2	121.4250	18.471	2	121.4250	18.471	2	120.8469	6.495	35	120.4541	7.415	40
856	762	786	0:SP2_SP2_SP3	N[6]	C[6]	B[5]	4:3:3:	3:3:4:	3:3:3:4:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-3:N[6]-3:C-4:	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH)	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH){1|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH){1|C<4>,2|H<1>,6|C<3>}	123.3930	0.000	1	123.3930	0.000	1	123.3930	0.000	1	123.3930	0.000	1	120.8469	6.495	35	120.4541	7.415	40
856	762	786	6:SP2_SP2_SP3	N[6,6]	C[3x6]	B[5,6,6]	4:3:4:	3:3:3:	3:3:3:2:	B[5,6,6]-4:C[3x6]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O[5]-2:	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH)	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2)	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a])	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>,4|C<4>}	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2){1|O<3>,2|C<4>,2|N<3>,2|O<2>,8|H<1>}	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	122.0105	7.915	2	122.0105	62.642	2	122.0105	62.642	2	122.0105	62.642	2	122.0105	62.642	2	122.3275	8.621	13
856	762	786	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[5,6]	4:3:3:	3:2:3:	3:3:2:2:	B[5,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:C[6]-3:	C[6,6a]-3:N[6,6]-3:O[5]-2:O[5]-2:	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2{1|O<2>,2|H<1>,4|C<3>,4|C<4>}	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	123.2176	6.238	5	122.3275	8.621	13
856	762	786	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[5,6]	4:3:3:	3:3:3:	3:3:3:2:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[5,6a]-3:C[5,6a]-3:N[6,6]-3:O[6]-2:	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	121.4630	0.000	1	121.4630	0.000	1	121.4630	0.000	1	121.4630	0.000	1	123.2176	6.238	5	122.3275	8.621	13
856	762	786	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[5,6]	4:3:3:	3:3:3:	4:3:4:3:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6a]-3:	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){12|C<3>,3|H<1>}	124.7000	0.663	2	124.7000	0.440	2	124.9560	0.417	3	124.9560	0.417	3	123.2176	6.238	5	122.3275	8.621	13
856	762	786	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[5,6]	4:3:3:	3:3:3:	4:3:4:3:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6a]-3:	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){12|C<3>,3|H<1>}	125.4680	0.000	1	125.4680	0.000	1	124.9560	0.417	3	124.9560	0.417	3	123.2176	6.238	5	122.3275	8.621	13
856	762	786	6:SP2_SP2_SP3	N[6,6]	C[6]	B[5,6,6]	4:3:4:	3:3:3:	3:3:3:2:	B[5,6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:N[6,6]-3:O[6]-2:	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2)	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6])	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,5|C<3>,7|H<1>}	123.3000	0.000	1	123.3000	0.000	1	123.3000	0.000	1	123.3000	0.000	1	123.3000	0.000	1	122.3275	8.621	13
856	762	786	6:SP2_SP2_SP3	N[6]	C[6]	B[5,6]	4:3:3:	3:3:1:	3:3:3:2:	B[5,6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:O[6]-2:	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a])	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	121.4323	1.750	3	121.4323	3.061	3	121.4323	3.061	3	121.4323	3.061	3	121.3698	1.540	5	122.3275	8.621	13
856	762	786	6:SP2_SP2_SP3	N[6]	C[6]	B[5,6]	4:3:4:	3:3:1:	3:3:2:2:	B[5,6]-4:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O[5]-2:O[5]-2:	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH)	C[6](N[6]B[5,6]C)(C[6]N[6]H)(H)	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	C[6](N[6]B[5,6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,2|O<2>}	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	121.2760	0.081	2	121.2760	0.006	2	121.2760	0.006	2	121.2760	0.006	2	121.3698	1.540	5	122.3275	8.621	13
856	762	811	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6,6a]	4:3:3:	3:3:1:	3:2:2:2:	B[6,6a]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H)	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6])	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	118.7867	0.942	3	118.7867	0.887	3	118.7867	0.887	3	118.7867	0.887	3	118.7867	0.887	3	120.5578	2.134	25
856	762	811	0:SP2_SP2_SP3	N[6]	C[6]	B[3x6a]	4:3:3:	3:3:1:	3:3:3:3:	B[3x6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[3x6a]-3:C[3x6a]-3:C[3x6a]-3:N[6]-3:	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H)	B[3x6a](C[3x6a]C[6a,6a]2)3(N[6]C[6]2)	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[3x6a](C[3x6a]C[6a,6a]2)3(N[6]C[6]2){2|H<1>,3|O<2>,8|C<3>}	121.3800	1.453	4	121.3800	2.112	4	121.3800	2.112	4	121.3800	2.112	4	121.3800	2.112	4	120.5578	2.134	25
856	762	811	0:SP2_SP2_SP3	N[6]	C[6]	B[6a,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a,6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:N[6]-3:	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2)	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2){2|O<2>,4|H<1>,8|C<3>}	120.8942	0.369	4	120.8942	0.136	4	120.8942	0.136	4	120.8942	0.136	4	120.9243	0.178	8	120.5578	2.134	25
856	762	811	0:SP2_SP2_SP3	N[6]	C[6]	B[6a,6a]	4:3:3:	3:3:1:	4:2:2:3:	B[6a,6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	B[6a,6a]-4:O[6a]-2:O[6a]-2:N[6]-3:	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2)	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	B[6a,6a](B[6a,6a]O[6a]2N[6])(O[6a]C[6a,6a])2(N[6]C[6]2){2|H<1>,8|C<3>}	120.9543	0.527	4	120.9543	0.278	4	120.9543	0.278	4	120.9543	0.278	4	120.9243	0.178	8	120.5578	2.134	25
856	762	811	0:SP2_SP2_SP3	N[6]	C[6]	B[6a]	4:3:3:	3:3:1:	2:2:3:3:	B[6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	O[6a]-2:O[6a]-2:N[6]-3:N[6]-3:	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	B[6a](O[6a]B[6a])2(N[6]C[6]2)2	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	B[6a](O[6a]B[6a])2(N[6]C[6]2)2{1|O<2>,2|N<3>,4|C<3>,4|H<1>}	120.4311	1.822	8	120.4311	3.321	8	120.4311	3.321	8	120.4311	3.321	8	120.4671	3.177	10	120.5578	2.134	25
856	762	811	0:SP2_SP2_SP3	N[6]	C[6]	B[6a]	4:3:3:	3:3:1:	3:2:2:3:	B[6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2)	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2){1|O<2>,4|H<1>,6|C<3>}	120.6110	2.301	2	120.6110	5.294	2	120.6110	5.294	2	120.6110	5.294	2	120.4671	3.177	10	120.5578	2.134	25
856	762	811	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6,6a]	4:3:3:	3:3:3:	3:2:2:2:	B[6,6a]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6])	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	120.6420	1.257	3	120.6420	1.581	3	120.6420	1.581	3	120.6420	1.581	3	120.6420	1.581	3	122.7694	9.306	5
856	762	811	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6a]	4:3:1:	3:3:4:	3:2:2:3:	B[6,6a]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H)	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH){2|C<3>,2|O<2>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	126.2030	0.000	1	126.2030	0.000	1	125.9605	0.118	2	125.9605	0.118	2	125.9605	0.118	2	122.7694	9.306	5
856	762	811	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6a]	4:3:1:	3:3:4:	3:2:2:3:	B[6,6a]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H)	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	125.7180	0.000	1	125.7180	0.000	1	125.9605	0.118	2	125.9605	0.118	2	125.9605	0.118	2	122.7694	9.306	5
856	762	813	0:SP2_SP2_SP2	N[6]	C[6]	N[5a]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6,6]-4:N[5a]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C[5a]-3:C[5a]-3:	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|H<1>,2|C<4>,5|C<3>}	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>}	116.1525	0.426	2	116.0600	0.074	4	116.0600	0.074	4	116.0600	0.074	4	116.0600	0.074	4	116.0600	0.074	4
856	762	813	0:SP2_SP2_SP2	N[6]	C[6]	N[5a]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6,6]-4:N[5a]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C[5a]-3:C[5a]-3:	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|N<3>,2|C<4>,5|C<3>}	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>}	115.9675	0.073	2	116.0600	0.074	4	116.0600	0.074	4	116.0600	0.074	4	116.0600	0.074	4	116.0600	0.074	4
856	762	813	0:SP3_SP2_SP2	N[6,6]	C[6]	N[5a,6]	3:4:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:N[6,6]-3:C[5a]-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])	C[6](N[6,6]N[5a,6]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]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]){3|H<1>,7|C<3>}	C[6](N[6,6]N[5a,6]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	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>}	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1
856	762	813	6:SP3_SP2_SP2	N[6]	C[6]	N[5a,6]	3:3:4:	3:4:1:	3:3:3:	N[5a,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]N[5a,6]C)(C[6]C[6]HH)(O)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	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>}	C[6](N[6]N[5a,6]C)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	113.8060	0.000	1	113.8060	0.000	1	113.8060	0.000	1	113.8060	0.000	1	113.8060	0.000	1	113.8060	0.000	1
856	762	818	0:SP2_SP2_SP2	N[6,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:2:	C[6,6]-4:C[5,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5,6]-3:N[6,6]-3:N[5]-2:	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(N[5]C[5])	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(N[5]C[5]){2|C<3>,2|N<3>,6|H<1>}	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	119.8039	3.136	15
856	762	818	0:SP2_SP2_SP2	N[6]	C[6]	C[5]	3:3:2:	3:2:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-2:	N[6]-3:N[6]-2:O-1:	N[6]-3:C[5]-2:O[5]-2:	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6])	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	C[5](N[6]C[6]2)(C[5]S[5])(O[5]C[5])	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6]){1|S<2>,2|C<3>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|N<1>,1|O<2>,2|C<2>}	C[5](N[6]C[6]2)(C[5]S[5])(O[5]C[5]){1|N<2>,1|O<1>,2|C<2>}	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	119.8664	3.314	14	119.8039	3.136	15
856	762	818	0:SP2_SP2_SP2	N[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:N[5]-2:	N[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5]N[5]C)(N[6]C[6]2)(N[5]C[5])	N[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(N[6]C[6]2)(N[5]C[5]){2|H<1>,3|C<3>}	119.0640	0.781	2	119.0640	0.609	2	119.0640	0.609	2	119.0640	0.609	2	119.8664	3.314	14	119.8039	3.136	15
856	762	818	0:SP2_SP2_SP2	N[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:N[6]-3:	N[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(N[6]C[6]2)	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(N[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	120.7890	2.749	2	120.7890	7.558	2	120.0793	3.840	4	120.0793	3.840	4	119.8664	3.314	14	119.8039	3.136	15
856	762	818	0:SP2_SP2_SP2	N[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:N[6]-3:	N[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2)	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2){3|H<1>,6|C<3>}	119.3695	1.395	2	119.3695	1.946	2	120.0793	3.840	4	120.0793	3.840	4	119.8664	3.314	14	119.8039	3.136	15
856	762	818	0:SP2_SP2_SP2	N[6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:N[5]-2:	N[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5]C[5]HH)(N[6]C[6]2)(N[5]C[5])	N[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(N[5]C[5]){2|C<3>,6|H<1>}	119.4933	1.186	4	119.4933	1.406	4	119.4933	1.406	4	119.4933	1.406	4	119.8664	3.314	14	119.8039	3.136	15
856	762	818	0:SP2_SP2_SP2	N[6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:N[6]-3:	N[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2)	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|Br<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	120.6795	1.029	2	120.6795	1.059	2	120.6795	1.059	2	120.6795	1.059	2	119.8664	3.314	14	119.8039	3.136	15
856	762	818	0:SP2_SP2_SP2	N[6]	C[6]	C[5]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[6]-3:H-1:	C[5]-3:C[5]-3:N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(N[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	123.5030	0.000	1	123.5030	0.000	1	123.5030	0.000	1	123.5030	0.000	1	119.8664	3.314	14	119.8039	3.136	15
856	762	818	6:SP2_SP2_SP2	N[6,6]	C[6]	C[5,6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[5,6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N-2:	N[6,6]-3:C[5,6]-3:C[5,6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6])(C[5,6]N[5]N[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH){5|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6])(C[5,6]N[5]N[6]){1|N<2>,1|O<1>,5|C<3>}	117.0650	0.379	3	117.0650	0.144	3	117.0650	0.144	3	117.0650	0.144	3	118.4655	7.942	4	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6,6]	C[6]	C[5,6,6]	3:4:3:	3:4:1:	4:3:3:	C[5,6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O-1:	C[5,6]-4:C[5,6]-3:N[6,6]-3:	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2)	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|H<1>,5|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(N[6,6]C[6]2){10|H<1>,1|O<1>,2|C<4>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	118.4655	7.942	4	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:1:	3:3:4:	3:3:2:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6]H)(N[5]N[5,6a])	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6]H)(N[5]N[5,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.8320	0.000	1	119.8320	0.000	1	119.4320	0.320	2	119.4320	0.320	2	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:1:	3:3:4:	3:3:2:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[5,6](N[5,6]N[5,6a]C[6])(N[6]C[6,6]H)(N[5]C[5,6a])	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](N[5,6]N[5,6a]C[6])(N[6]C[6,6]H)(N[5]C[5,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.0320	0.000	1	119.0320	0.000	1	119.4320	0.320	2	119.4320	0.320	2	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	117.9500	0.000	1	117.4810	0.266	3	117.4810	0.266	3	117.0346	0.517	5	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	117.5640	0.000	1	117.4810	0.266	3	117.4810	0.266	3	117.0346	0.517	5	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	116.9290	0.000	1	117.4810	0.266	3	117.4810	0.266	3	117.0346	0.517	5	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[5,6]-3:C[5]-3:	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	116.2200	0.000	1	116.3650	0.042	2	116.3650	0.042	2	117.0346	0.517	5	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[5,6]-3:C[5]-3:	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	116.5100	0.000	1	116.3650	0.042	2	116.3650	0.042	2	117.0346	0.517	5	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[5,6]-3:C[5]-4:	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	116.5860	0.000	1	116.5860	0.000	1	117.5230	1.756	2	117.5230	1.756	2	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[5,6]-3:C[5]-4:	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]HH)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|S<4>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	118.4600	0.000	1	118.4600	0.000	1	117.5230	1.756	2	117.5230	1.756	2	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:4:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6]-3:C-4:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	118.2900	0.000	1	118.2900	0.000	1	118.0397	0.095	3	117.6054	0.401	5	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:4:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6]-3:C-4:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	117.6950	0.000	1	117.6950	0.000	1	118.0397	0.095	3	117.6054	0.401	5	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:4:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6]-3:C-4:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	118.1340	0.000	1	118.1340	0.000	1	118.0397	0.095	3	117.6054	0.401	5	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6,6]	C[5,6]	3:3:4:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6]-3:C[3]-4:	N[6]-3:C[6,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H)	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H){2|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3]){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	116.9540	0.000	2	116.9540	0.000	2	116.9540	0.000	2	117.6054	0.401	5	117.6507	1.080	14	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:2:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H)	C[6](N[6]C[5,6]H)(N[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H){1|Pt<6>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H){1|N<2>,1|N<3>,3|H<1>}	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:2:3:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	C[5,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)(H)	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)(H){1|Co<6>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]H){1|N<2>,2|H<1>,2|N<3>}	117.8495	0.108	2	117.8495	0.012	2	117.8495	0.012	2	117.8495	0.012	2	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:2:3:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	C[5]-4:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]N[6]N)(H)	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H)	N[6](C[5,6]C[5,6]C[5])(C[6]N[6]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H){1|N<2>,2|C<3>,2|N<3>,4|H<1>}	118.9500	0.000	1	118.9500	0.000	1	118.9500	0.000	1	118.9500	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O)	C[5,6](N[5,6]C[6]N[5])(N[6]C[6]H)(N[5]C[5])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[6]N[5])(N[6]C[6]H)(N[5]C[5]){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	120.0270	0.000	1	119.9840	0.004	2	119.9840	0.004	2	117.7047	15.588	3	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){2|H<1>,4|C<3>}	119.9410	0.000	1	119.9840	0.004	2	119.9840	0.004	2	117.7047	15.588	3	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	113.1460	0.000	1	113.1460	0.000	1	113.1460	0.000	1	117.7047	15.588	3	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	121.0170	0.000	1	121.0170	0.000	1	121.0170	0.000	1	121.0170	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	116.5913	0.570	3	116.5913	0.325	3	116.5913	0.325	3	116.5913	0.325	3	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[5,6]-3:N[6]-3:S[5]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.9400	0.000	1	118.9400	0.000	1	118.9400	0.000	1	119.3257	0.181	4	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.8800	0.000	1	119.8800	0.000	1	119.8800	0.000	1	119.3257	0.181	4	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[5,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H)	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	119.2415	0.269	2	119.2415	0.073	2	119.2415	0.073	2	119.3257	0.181	4	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-4:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.5140	0.000	1	120.5140	0.000	1	120.5140	0.000	1	120.5140	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){3|C<4>,4|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,7|H<1>}	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:S-1:	N[5,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]S)	C[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]S){2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S){1|O<1>,2|N<3>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6]){1|O<1>,1|S<1>,4|H<1>,5|C<3>}	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:S-2:	C[5,6]-3:N[6]-3:Se[5]-2:	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S)	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC)	C[5,6](C[5,6]C[5]N[6])(N[6]C[6a]C[6])(Se[5]C[5])	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC){1|Se<2>,1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]N[6])(N[6]C[6a]C[6])(Se[5]C[5]){1|C<4>,1|S<2>,5|C<3>}	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:N-3:	C[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O)	N[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	116.5330	0.000	1	116.5330	0.000	1	116.5330	0.000	1	116.5330	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,6|C<4>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C){2|C<4>,2|O<1>,3|C<3>}	120.1160	0.000	1	120.1160	0.000	1	119.0320	1.074	3	119.0320	1.074	3	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]C[5]C)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,5|C<4>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]C[5]C){1|C<4>,2|O<1>,5|C<3>}	118.9290	0.000	1	118.9290	0.000	1	119.0320	1.074	3	119.0320	1.074	3	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]P[5]C)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<4>,4|C<3>,5|C<4>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]P[5]C){1|Au<2>,1|C<4>,2|O<1>,4|C<3>}	118.0510	0.000	1	118.0510	0.000	1	119.0320	1.074	3	119.0320	1.074	3	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	118.9200	0.167	2	118.9200	0.028	2	118.9200	0.028	2	118.9200	0.028	2	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-3:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	115.7370	0.000	1	115.7370	0.000	1	115.7370	0.000	1	115.7370	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:4:	3:4:1:	3:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-4:O-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C[6](N[6]C[5,6]C)(C[6]N[6]HO)(O)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](N[6]C[5,6]C)(C[6]N[6]HO)(O){1|C<4>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C){1|O<1>,2|H<1>,3|C<4>}	118.8330	0.000	1	118.8330	0.000	1	118.8330	0.000	1	118.8330	0.000	1	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:4:	3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,4|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<4>,1|O<1>,6|H<1>}	123.2220	0.000	1	123.2220	0.000	1	121.9980	2.996	2	121.9980	2.996	2	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP2_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:4:	3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){3|H<1>,4|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	120.7740	0.000	1	120.7740	0.000	1	121.9980	2.996	2	121.9980	2.996	2	118.7628	4.491	31	118.4208	3.844	49
856	762	818	6:SP3_SP2_SP2	N[6]	C[6]	C[5,6]	3:3:4:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3)	C[5,6](C[5,6]Se[5]N[6])(C[5]C[5]C)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH){1|Se<2>,1|N<3>,1|S<2>,2|C<3>}	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3){3|C<3>}	C[5,6](C[5,6]Se[5]N[6])(C[5]C[5]C)(N[6]C[6]C){1|C<4>,3|C<3>}	112.8010	0.000	1	112.8010	0.000	1	112.8010	0.000	1	112.8010	0.000	1	112.8010	0.000	1	112.8010	0.000	1
856	762	830	0:SP2_SP-NON_SP2	N[6]	C[6]	F	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:N[6]-2:O-2:	N[6]-3:	N[6](C[6]N[6]O)2(F)	C[6](N[6]C[6]F)(N[6]C[6])(OC)	F(N[6]C[6]2)	N[6](C[6]N[6]O)2(F){1|C<3>}	C[6](N[6]C[6]F)(N[6]C[6])(OC){1|N<2>,2|O<2>}	F(N[6]C[6]2)	119.2030	0.059	2	119.2030	0.004	2	119.2030	0.004	2	119.2030	0.004	2	117.9520	4.033	4	117.9520	4.033	4
856	762	830	0:SP2_SP-NON_SP2	N[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]H)(N[6]C[6]F)(H)	F(N[6]C[6]2)	N[6](C[6]C[6]H)2(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]F)(H){1|C<3>,2|H<1>}	F(N[6]C[6]2)	116.7010	2.415	2	116.7010	5.835	2	116.7010	5.835	2	116.7010	5.835	2	117.9520	4.033	4	117.9520	4.033	4
856	762	846	0:SP2_SP2_SP2	N[6]	C[6]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[4]-3:N[6]-3:	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[4](C[4]C[4]O)2(N[6]C[6]2)	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[4](C[4]C[4]O)2(N[6]C[6]2){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.6280	0.000	1	116.6280	0.000	1	119.4819	1.473	9	119.4819	1.473	9	119.7684	2.130	10	119.7684	2.130	10
856	762	846	0:SP2_SP2_SP2	N[6]	C[6]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[4]-3:N[6]-3:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H)	C[4](C[4]C[4]O)2(N[6]C[6]2)	N[6](C[4]C[4]2)(C[6]C[6]H)2{1|H<1>,2|O<1>,3|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[4](C[4]C[4]O)2(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	119.4780	0.000	1	119.4780	0.000	1	119.4819	1.473	9	119.4819	1.473	9	119.7684	2.130	10	119.7684	2.130	10
856	762	846	0:SP2_SP2_SP2	N[6]	C[6]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[4]-3:N[6]-3:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[4](C[4]C[4]O)2(N[6]C[6]2)	N[6](C[4]C[4]2)(C[6]C[6]H)2{1|H<1>,2|O<1>,3|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[4]O)2(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	118.8080	0.000	1	119.8901	0.412	7	119.4819	1.473	9	119.4819	1.473	9	119.7684	2.130	10	119.7684	2.130	10
856	762	846	0:SP2_SP2_SP2	N[6]	C[6]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[4]-3:N[6]-3:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[4](C[4]C[4]O)2(N[6]C[6]2)	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[4](C[4]C[4]O)2(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	120.8780	0.000	1	119.8901	0.412	7	119.4819	1.473	9	119.4819	1.473	9	119.7684	2.130	10	119.7684	2.130	10
856	762	846	0:SP2_SP2_SP2	N[6]	C[6]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[4]-3:N[6]-3:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[4](C[4]C[4]O)2(N[6]C[6]2)	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[4](C[4]C[4]O)2(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	120.0740	0.358	2	119.8901	0.412	7	119.4819	1.473	9	119.4819	1.473	9	119.7684	2.130	10	119.7684	2.130	10
856	762	846	0:SP2_SP2_SP2	N[6]	C[6]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[4]-3:N[6]-3:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[4](C[4]C[4]O)2(N[6]C[6]2)	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[4](C[4]C[4]O)2(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	119.8510	0.301	2	119.8901	0.412	7	119.4819	1.473	9	119.4819	1.473	9	119.7684	2.130	10	119.7684	2.130	10
856	762	846	0:SP2_SP2_SP2	N[6]	C[6]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[4]-3:N[6]-3:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[4](C[4]C[4]O)2(N[6]C[6]2)	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[4]O)2(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	119.6950	0.000	1	119.8901	0.412	7	119.4819	1.473	9	119.4819	1.473	9	119.7684	2.130	10	119.7684	2.130	10
856	762	846	0:SP2_SP2_SP2	N[6]	C[6]	C[4]	3:3:3:	3:3:3:	3:3:3:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-3:	C[4]-3:C[4]-3:N[6]-3:	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH)	C[4](C[4]C[4]O)2(N[6]C[6]2)	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH){2|H<1>,3|C<3>}	C[4](C[4]C[4]O)2(N[6]C[6]2){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	119.7684	2.130	10	119.7684	2.130	10
856	762	846	6:SP2_SP2_SP2	N[6]	C[6]	C[4,6]	3:3:3:	3:4:1:	3:3:3:	C[4,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[4,6]-3:N[6]-3:C[4]-3:	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O)	C[4,6](N[4,6]C[6]P[4])(N[6]C[6a]C[6])(C[4]P[4]C)	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,5|C<4>}	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[4,6](N[4,6]C[6]P[4])(N[6]C[6a]C[6])(C[4]P[4]C){1|C<4>,2|O<1>,3|C<3>}	121.2890	0.508	2	121.2890	0.258	2	121.2890	0.258	2	121.2890	0.258	2	121.2890	0.258	2	121.2890	0.258	2
856	762	847	0:SP2_SP2_SPD5	N[6]	C[6]	Si	3:5:3:	3:3:1:	3:3:1:1:1:	C[6,6a]-3:Si-5:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:Cl-1:Cl-1:Cl-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H)	C[6](N[6]C[6,6a]Si)(C[6]C[6]H)(H)	Si(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Cl)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6a]Si)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	Si(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Cl)3	127.2600	0.000	1	127.2600	0.000	1	127.2600	0.000	1	127.2600	0.000	1	122.0814	10.009	9	122.0814	10.009	9
856	762	847	0:SP2_SP2_SPD5	N[6]	C[6]	Si	5:3:3:	3:3:1:	3:3:4:1:1:	Si-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:Cl-1:H-1:	N[6](SiN[6]ClCH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)2(CH3)(Cl)(H)	N[6](SiN[6]ClCH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Si(N[6]C[6]2)2(CH3)(Cl)(H)	121.0750	2.745	4	121.4341	7.129	8	121.4341	7.129	8	121.4341	7.129	8	122.0814	10.009	9	122.0814	10.009	9
856	762	847	0:SP2_SP2_SPD5	N[6]	C[6]	Si	5:3:3:	3:3:1:	3:3:4:1:1:	Si-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:Cl-1:H-1:	N[6](SiN[6]ClCH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)2(CH3)(Cl)(H)	N[6](SiN[6]ClCH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Si(N[6]C[6]2)2(CH3)(Cl)(H)	121.7933	2.959	4	121.4341	7.129	8	121.4341	7.129	8	121.4341	7.129	8	122.0814	10.009	9	122.0814	10.009	9
856	762	849	6:SP2_SP2_SP3	N[6]	C[6]	P[6,6]	4:3:4:	3:2:4:	3:2:3:1:	P[6,6]-4:C[6]-3:C-4:	N[6]-3:N[6]-2:C-4:	C[6,6a]-3:S[6,6]-2:N[6]-3:S-1:	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)(CH3)	C[6](N[6]P[6,6]C)(N[6]P[6,6])(CH3)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S)	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)(CH3){1|P<4>,2|C<3>}	C[6](N[6]P[6,6]C)(N[6]P[6,6])(CH3){1|S<2>,2|C<3>,2|S<1>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S){1|C<4>,1|H<1>,1|N<2>,1|S<1>,3|C<3>}	122.4490	0.000	1	122.4490	0.000	1	122.4490	0.000	1	122.4490	0.000	1	122.4490	0.000	1	122.4322	1.518	4
856	762	849	6:SP2_SP2_SP3	N[6]	C[6]	P[6]	4:3:3:	3:3:1:	3:2:1:1:	P[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:O-1:	N[6]-3:O[6]-2:Cl-1:O-1:	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O)	P[6](N[6]C[6a]C[6])(O[6]C[6])(Cl)(O)	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	P[6](N[6]C[6a]C[6])(O[6]C[6])(Cl)(O){1|C<4>,1|O<1>,3|C<3>}	123.0320	0.000	1	123.0320	0.000	1	123.0320	0.000	1	123.0320	0.000	1	122.4267	2.277	3	122.4322	1.518	4
856	762	849	6:SP2_SP2_SP3	N[6]	C[6]	P[6]	4:3:4:	3:3:1:	3:2:3:1:	P[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:O[6]-2:N[6]-3:Se-1:	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(Se)	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Se<1>,1|H<1>,1|O<2>,3|C<3>}	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(Se){1|O<1>,2|H<1>,4|C<3>}	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	122.4267	2.277	3	122.4322	1.518	4
856	762	849	6:SP2_SP2_SP3	N[6]	C[6]	P[6]	4:3:4:	3:3:3:	3:3:2:1:	P[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-2:O-1:	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]P[6]C)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O)	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]P[6]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O){1|H<1>,4|C<3>}	120.7090	0.000	1	120.7090	0.000	1	120.7090	0.000	1	120.7090	0.000	1	122.4267	2.277	3	122.4322	1.518	4
856	762	855	6:SP2_SP2_SPD6	N[6]	C[6]	Si[6,6]	6:3:3:	3:3:4:	3:3:2:2:2:2:	Si[6,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>,2|O<2>}	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	123.1930	0.153	2	123.1930	0.023	2	123.1930	0.023	2	123.1930	0.023	2	122.9006	1.438	7	122.9006	1.438	7
856	762	855	6:SP2_SP2_SPD6	N[6]	C[6]	Si[6,6]	6:3:4:	3:3:4:	3:2:2:3:3:2:	Si[6,6]-6:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-4:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3)	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>,3|O<2>}	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	124.2355	0.278	2	124.2355	0.077	2	124.2355	0.077	2	124.2355	0.077	2	122.9006	1.438	7	122.9006	1.438	7
856	762	855	6:SP2_SP2_SPD6	N[6]	C[6]	Si[6,6]	6:3:4:	3:3:4:	3:3:2:2:2:2:	Si[6,6]-6:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH)	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,2|O<2>}	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	120.9270	0.000	1	120.9270	0.000	1	121.8157	0.630	3	121.8157	0.630	3	122.9006	1.438	7	122.9006	1.438	7
856	762	855	6:SP2_SP2_SPD6	N[6]	C[6]	Si[6,6]	6:3:4:	3:3:4:	3:3:2:2:2:2:	Si[6,6]-6:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,2|O<2>}	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	122.2600	0.273	2	122.2600	0.074	2	121.8157	0.630	3	121.8157	0.630	3	122.9006	1.438	7	122.9006	1.438	7
856	762	856	0:SP3_SP2_SP3	N[6]	C[6]	N[6]	4:3:3:	3:3:1:	4:3:3:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:N[6]-3:C[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	115.9770	1.399	2	115.9770	1.956	2	115.9770	1.956	2	115.9770	1.956	2	115.9770	1.956	2	115.9770	1.956	2
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.6630	0.000	1	116.6630	0.000	1	116.6630	0.000	1	116.6630	0.000	1	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:3:3:	3:4:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.2660	0.000	1	120.2660	0.000	1	120.2660	0.000	1	120.2660	0.000	1	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:3:3:	4:3:1:	3:3:4:	C[6]-3:N[6,6]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.2190	0.000	1	120.2190	0.000	1	120.2190	0.000	1	120.2190	0.000	1	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:N[6,6]-3:C[6]-4:	N[5,6]-3:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6,6]-3:C[6]-4:	N[5,6]-3:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:3:4:	4:3:1:	3:3:4:	C[6]-3:N[6,6]-3:C[6]-4:	C[5,6]-4:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	121.5020	0.000	1	121.5020	0.000	1	121.5020	0.000	1	121.5020	0.000	1	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:N[6]-3:O-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	121.8630	0.000	1	121.8630	0.000	1	121.8630	0.000	1	121.8630	0.000	1	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[6,6]-3:B[6]-4:C[6]-3:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	117.5584	0.310	7	117.4021	0.638	12	117.4021	0.638	12	118.3028	3.066	16	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[6,6]-3:B[6]-4:C[6]-3:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	116.6570	0.968	3	117.4021	0.638	12	117.4021	0.638	12	118.3028	3.066	16	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[6,6]-3:B[6]-4:C[6]-3:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	117.9725	1.443	2	117.4021	0.638	12	117.4021	0.638	12	118.3028	3.066	16	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	120.9590	0.153	2	120.9590	0.023	2	121.0048	0.011	4	118.3028	3.066	16	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	121.0505	0.023	2	121.0505	0.001	2	121.0048	0.011	4	118.3028	3.066	16	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	121.4980	0.049	2	121.4980	0.002	2	121.2227	0.134	4	121.2227	0.134	4	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	120.9475	0.310	2	120.9475	0.096	2	121.2227	0.134	4	121.2227	0.134	4	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6,6]	C[6]	N[6,6]	4:3:3:	3:3:1:	4:3:3:	B[6]-4:N[6,6]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	B[6]-4:N[6,6]-3:C[6]-3:	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H)	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,9|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,5|C<3>}	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,9|C<3>}	115.9545	0.392	2	115.9545	0.154	2	115.9545	0.154	2	115.9545	0.154	2	118.9606	4.279	30	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:1:	3:2:3:	4:3:1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:C-3:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](N[6]N[6]H)(N[6]C[6])(COO)	N[6](C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]N[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](N[6]N[6]H)(N[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	117.0405	0.087	2	117.0405	0.008	2	117.0405	0.008	2	117.0405	0.008	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(N[6]C[6]O)(O)	C[6](C[6]C[6]H)(N[6]N[6]O)(H)	N[6](C[6]C[6]H)(N[6]C[6]O)(O)	N[6](C[6]C[6]H)(N[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(N[6]C[6]O)(O){1|C<3>,2|H<1>}	119.2775	0.243	2	119.2775	0.059	2	119.2775	0.059	2	119.2775	0.059	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH)	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	122.2850	0.000	1	122.2850	0.000	1	123.1475	1.488	2	123.1475	1.488	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){1|C<3>,2|C<4>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|O<1>,2|C<4>}	124.0100	0.000	1	124.0100	0.000	1	123.1475	1.488	2	123.1475	1.488	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	B[5]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:B-3:	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H)	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2)	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>,2|O<2>}	115.7200	0.000	1	115.7200	0.000	1	115.7200	0.000	1	113.9590	6.202	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	B[5]-3:C[6]-3:N[6]-3:	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]N[6]B)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B)	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(N[6]N[6]B)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B){1|C<3>,2|C<4>,2|H<1>}	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	113.9590	6.202	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	C[6](N[6]C[6a]N[6])2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])2(O){1|C<4>,5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	119.2150	0.000	1	119.2150	0.000	1	119.2150	0.000	1	119.2150	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:N[6]-3:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O)	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO){1|O<1>,4|C<3>}	116.4530	0.000	1	116.4530	0.000	1	116.4530	0.000	1	116.1805	0.149	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6]H)(N[6]C[6]C)(COO)	C[6](C[6]C[6]Br)(N[6]N[6]C)(H)	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO)	N[6](C[6]C[6]H)(N[6]C[6]C)(COO){2|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO){1|C<3>,1|H<1>,1|O<1>}	115.9080	0.000	1	115.9080	0.000	1	115.9080	0.000	1	116.1805	0.149	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	111.2107	0.143	3	111.2107	0.020	3	111.2107	0.020	3	111.2107	0.020	3	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6]C)(N[6]C[6]C)(COO)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H)	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO)	N[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO){1|O<1>,2|C<3>}	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.8080	0.000	1	118.8080	0.000	1	118.8080	0.000	1	118.8080	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH)	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|O<1>,2|C<4>}	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.1730	0.000	1	121.1730	0.000	1	121.1730	0.000	1	121.1730	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]N[6]C)2(O){1|C<3>,1|C<4>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	119.5740	0.000	1	119.5740	0.000	1	120.2420	0.892	2	120.2420	0.892	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.9100	0.000	1	120.9100	0.000	1	120.2420	0.892	2	120.2420	0.892	2	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]C)(N[6]N[6])	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]C)(N[6]N[6]){1|H<1>,6|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]C)(N[6]N[6])	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]C)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|N<2>}	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH)	C[6](C[6]C[6]HN)(N[6]N[6]C)(O)	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HN)(N[6]N[6]C)(O){1|C<3>,3|H<1>}	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	117.1557	14.994	26	118.1226	9.896	56
856	762	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:3:4:	3:3:1:	4:3:4:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:O-1:	P[6]-4:N[6,6]-3:C[6]-4:	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])2(O)	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])2(O){1|P<4>,4|C<4>,4|H<1>}	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	121.9170	0.000	1	121.9170	0.000	1	121.9170	0.000	1	121.9170	0.000	1	121.6020	0.198	2	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<2>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	121.6020	0.198	2	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:1:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:C-4:	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	C[6](N[6]N[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	C[6](N[6]N[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|H<1>}	127.3400	0.933	2	127.3400	0.871	2	126.6415	0.952	4	126.2543	1.001	6	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:1:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:C-4:	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	C[6](N[6]N[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	C[6](N[6]N[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	125.9430	0.185	2	125.9430	0.034	2	126.6415	0.952	4	126.2543	1.001	6	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:1:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:S-1:	C[6]-4:N[6]-3:C-4:	N[6](C[6]O[6]S)(N[6]C[6]C)(H)	C[6](N[6]N[6]H)(O[6]C[6])(S)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	N[6](C[6]O[6]S)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	C[6](N[6]N[6]H)(O[6]C[6])(S){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<1>}	125.4800	0.593	2	125.4800	0.351	2	125.4800	0.351	2	126.2543	1.001	6	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[5a,6]-3:N[6]-3:C-4:	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O)	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3)	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|N<2>}	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|N<2>}	127.1150	0.000	1	127.1150	0.000	1	127.1150	0.000	1	127.1150	0.000	1	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:3:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:C-4:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	C[6](N[6]N[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	C[6](N[6]N[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	118.5950	0.000	1	118.5950	0.000	1	119.4655	2.065	4	119.4655	2.065	4	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:3:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:C-4:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	C[6](N[6]N[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	C[6](N[6]N[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	119.3465	2.044	2	119.3465	4.179	2	119.4655	2.065	4	119.4655	2.065	4	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:3:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:C-4:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	C[6](N[6]N[6]C)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]N[6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.5740	0.000	1	120.5740	0.000	1	119.4655	2.065	4	119.4655	2.065	4	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	C[6](N[6]C[6a]N[6])2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])2(O){1|C<4>,5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:N[6]-3:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O)	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	121.7050	0.000	1	121.7050	0.000	1	121.7050	0.000	1	121.7050	0.000	1	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O){2|H<1>,4|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	121.0210	0.000	1	121.0210	0.000	1	121.0210	0.000	1	121.0210	0.000	1	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH)	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]N[6]C)2(O){1|C<3>,1|C<4>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH){1|N<3>,1|O<1>,2|C<3>}	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|C<4>,2|H<1>}	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,3|N<3>}	123.0245	0.626	2	123.0245	0.392	2	122.4561	0.973	8	122.4953	0.846	17	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|C<4>,2|H<1>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	122.5075	0.409	2	122.5075	0.168	2	122.4561	0.973	8	122.4953	0.846	17	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.1463	1.319	4	122.1463	1.739	4	122.4561	0.973	8	122.4953	0.846	17	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	C[6](N[6]N[6]C)2(S)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]N[6]C)2(S){1|C<4>,2|H<1>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	122.3175	0.228	2	122.3175	0.052	2	122.5589	0.948	8	122.4953	0.846	17	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	C[6](N[6]N[6]C)2(S)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]N[6]C)2(S){1|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	122.8085	0.507	2	122.6393	1.285	6	122.5589	0.948	8	122.4953	0.846	17	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	C[6](N[6]N[6]C)2(S)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]N[6]C)2(S){1|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	121.9605	2.112	2	122.6393	1.285	6	122.5589	0.948	8	122.4953	0.846	17	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	C[6](N[6]N[6]C)2(S)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]N[6]C)2(S){1|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|N<2>}	123.1490	0.458	2	122.6393	1.285	6	122.5589	0.948	8	122.4953	0.846	17	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[5,6]-4:N[6]-3:H-1:	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<4>,1|H<1>,1|O<1>}	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<3>,3|O<1>}	122.3000	0.000	1	122.3000	0.000	1	122.3000	0.000	1	122.4953	0.846	17	122.7717	5.719	32	122.7029	5.456	34
856	762	856	6:SP3_SP2_SP2	N[6,6]	C[6]	N[6,6]	3:4:3:	3:4:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<2>,1|O<1>,3|C<4>,3|H<1>}	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	115.3942	24.669	4
856	762	856	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|C<4>,4|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	119.4480	0.000	1	119.4480	0.000	1	119.4480	0.000	1	119.4480	0.000	1	113.8860	23.354	3	115.3942	24.669	4
856	762	856	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	C[6](C[6a]C[6a,6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a,6a]2)(N[6]N[6]C)(N[6]N[6]){7|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	113.8860	23.354	3	115.3942	24.669	4
856	762	856	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	113.8860	23.354	3	115.3942	24.669	4
856	762	856	6:SP3_SP2_SP3	N[6,6]	C[6]	N[6,6]	3:3:4:	3:3:1:	4:3:4:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:O-1:	P[6]-4:N[6,6]-3:C[6]-4:	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])2(O)	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])2(O){1|P<4>,4|C<4>,4|H<1>}	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	117.5780	0.000	1	117.5780	0.000	1	117.5780	0.000	1	117.5780	0.000	1	117.5780	0.000	1	113.9464	12.891	7
856	762	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|N<2>}	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	113.3412	12.392	6	113.9464	12.891	7
856	762	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	111.4360	0.058	2	111.4360	0.003	2	111.4360	0.003	2	111.4360	0.003	2	113.3412	12.392	6	113.9464	12.891	7
856	762	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-4:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	114.5440	0.000	1	114.5440	0.000	1	114.5440	0.000	1	114.5440	0.000	1	113.3412	12.392	6	113.9464	12.891	7
856	762	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]N[6]C)2(O){1|C<3>,1|H<1>}	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|N<3>}	118.5500	0.000	1	118.5500	0.000	1	118.5500	0.000	1	118.5500	0.000	1	113.3412	12.392	6	113.9464	12.891	7
856	762	856	6:SP3_SP2_SP3	N[6]	C[6]	N[6]	3:3:4:	3:3:2:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-2:	B[6]-4:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH){1|N<3>,6|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){1|B<4>,2|H<1>,4|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|N<2>,2|H<1>,8|C<3>}	115.4120	0.000	1	115.4120	0.000	1	115.4120	0.000	1	115.4120	0.000	1	113.3412	12.392	6	113.9464	12.891	7
856	762	857	0:SP2_SP2_SP2	N[6]	C[6]	Ge[4]	3:3:3:	3:3:1:	3:3:3:	Ge[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[4]-3:N[4]-3:N[6]-3:	N[6](Ge[4]N[4]2)(C[6]C[6]H)2	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H)	Ge[4](N[4]C[6a]B[4])2(N[6]C[6]2)	N[6](Ge[4]N[4]2)(C[6]C[6]H)2{1|B<3>,2|H<1>,3|C<3>}	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	Ge[4](N[4]C[6a]B[4])2(N[6]C[6]2){1|N<3>,2|H<1>,6|C<3>}	121.7985	2.313	2	121.7985	5.350	2	121.7985	5.350	2	121.7985	5.350	2	121.7985	5.350	2	121.7985	5.350	2
856	762	863	0:SP2_SP2_SP2	N[6]	C[6,6]	O	3:2:1:	3:4:3:	3:	C[6,6]-3:O[6]-2:O-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O)	O(N[6]C[6,6]O[6])	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O){2|C<4>,5|H<1>}	O(N[6]C[6,6]O[6])	127.5680	0.000	1	127.5680	0.000	1	127.5680	0.000	1	127.5680	0.000	1	120.9403	8.114	9	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6,6]	O	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP)	O(N[6]C[6,6]2)	N[6](C[6,6]C[6,6]C[6])2(O){1|C<3>,2|H<1>,2|P<4>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP){1|C<3>,2|C<4>,5|H<1>}	O(N[6]C[6,6]2)	118.9490	0.000	1	118.9490	0.000	1	118.9490	0.000	1	118.9490	0.000	1	120.9403	8.114	9	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6,6]	O	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O)	O(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	O(N[6]C[6,6]C[6])	118.7520	0.416	2	118.7520	0.173	2	118.7520	0.173	2	118.7520	0.173	2	120.9403	8.114	9	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6,6]	O	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6]-3:O-1:	C[5,6]-4:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O)	O(N[6]C[6,6]C[6])	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(N[6]C[6,6]C[6])	119.9255	0.284	2	119.9255	0.080	2	119.9255	0.080	2	119.9257	0.040	3	120.9403	8.114	9	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6,6]	O	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6]-3:O-1:	C[6]-4:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	O(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(N[6]C[6,6]C[6])	119.9260	0.000	1	119.9260	0.000	1	119.9260	0.000	1	119.9257	0.040	3	120.9403	8.114	9	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6,6]	O	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	O(N[6]C[6,6]C[6])	122.3325	0.474	2	122.3325	0.225	2	122.3325	0.225	2	122.3325	0.225	2	120.9403	8.114	9	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	2:3:1:	2:3:3:	3:	N[6]-2:C[6]-3:O-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](N[6]C[5,6])(C[6]N[6]N)(O)	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH)	O(N[6]C[6]N[6])	N[6](N[6]C[5,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH){2|C<3>}	O(N[6]C[6]N[6])	115.9810	0.585	2	115.9810	0.343	2	116.3710	0.628	3	116.3710	0.628	3	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	2:3:1:	2:3:3:	3:	N[6]-2:C[6]-3:O-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](N[6]C[5a,6])(C[6]N[6]N)(O)	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH)	O(N[6]C[6]N[6])	N[6](N[6]C[5a,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH){2|C<3>}	O(N[6]C[6]N[6])	117.1510	0.000	1	117.1510	0.000	1	116.3710	0.628	3	116.3710	0.628	3	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:O-1:	C[6,6a]-3:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[5])(N[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O)	O(N[6]C[6]N[6])	N[6](C[6]C[6,6a]C[5])(N[6]C[6])(O){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	O(N[6]C[6]N[6])	121.8210	0.221	2	121.8210	0.049	2	121.8210	0.049	2	118.6169	3.091	10	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(O)	C[6](N[6]N[6]O)2(NHH)	O(N[6]C[6]N[6])	N[6](C[6]N[6]N)(N[6]C[6])(O){1|H<1>,1|N<2>,1|O<1>}	C[6](N[6]N[6]O)2(NHH){1|C<3>}	O(N[6]C[6]N[6])	117.5295	0.260	4	117.8159	0.301	8	117.8159	0.301	8	118.6169	3.091	10	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(O)	C[6](N[6]N[6]O)2(NHH)	O(N[6]C[6]N[6])	N[6](C[6]N[6]N)(N[6]C[6])(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]N[6]O)2(NHH){1|C<3>}	O(N[6]C[6]N[6])	118.1022	0.645	4	117.8159	0.301	8	117.8159	0.301	8	118.6169	3.091	10	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:2:1:	4:3:1:	3:	C[6]-3:O[6]-2:O-1:	C[4x6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[4x6]H)(O[6]C[6])(O)	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H)	O(N[6]C[6]O[6])	N[6](C[6]C[4x6]H)(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O(N[6]C[6]O[6])	128.1315	0.309	2	128.1315	0.095	2	128.1315	0.095	2	128.1315	0.095	2	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:2:1:	4:3:4:	3:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH)	O(N[6]C[6]O[6])	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	O(N[6]C[6]O[6])	127.6960	0.000	1	127.6960	0.000	1	127.5550	0.119	4	127.5550	0.119	4	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:2:1:	4:3:4:	3:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	O(N[6]C[6]O[6])	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(N[6]C[6]O[6])	127.9780	0.000	1	127.5080	0.166	3	127.5550	0.119	4	127.5550	0.119	4	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:2:1:	4:3:4:	3:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	O(N[6]C[6]O[6])	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	O(N[6]C[6]O[6])	127.2730	0.000	2	127.5080	0.166	3	127.5550	0.119	4	127.5550	0.119	4	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:O-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O)	C[6](N[6]C[6,6a])(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O){2|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]O)(H){3|C<3>}	O(N[6]C[6]2)	118.9110	0.000	1	118.9110	0.000	1	118.9110	0.000	1	118.9110	0.000	1	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:O-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O)	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	O(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,1|N<2>,1|N<3>}	O(N[6]C[6]2)	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	2:3:4:	3:	C[6]-3:C[6]-3:O-1:	N[6]-2:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(O){4|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH){3|C<3>}	O(N[6]C[6]2)	118.4550	0.000	1	118.4550	0.000	1	118.4550	0.000	1	118.4550	0.000	1	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:O-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(O)	C[6](N[6]C[6]O)(N[6]C[6])(NCH)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(O){1|C<3>,1|H<1>}	C[6](N[6]C[6]O)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.2780	0.000	1	119.2780	0.000	1	120.3658	0.534	8	120.3658	0.534	8	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:O-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)(C[6]N[6]O)(O)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	O(N[6]C[6]2)	N[6](C[6]N[6]N)(C[6]N[6]O)(O){1|C<3>,1|O<2>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	O(N[6]C[6]2)	119.5000	0.000	1	119.5000	0.000	1	120.3658	0.534	8	120.3658	0.534	8	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:O-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(O)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	O(N[6]C[6]2)	N[6](C[6]N[6]N)2(O){1|C<3>,1|O<1>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	O(N[6]C[6]2)	120.6913	0.484	6	120.6913	0.234	6	120.3658	0.534	8	120.3658	0.534	8	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[5a,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H)	O(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	O(N[6]C[5a,6]C[6])	121.1680	0.000	1	121.1680	0.000	1	121.1680	0.000	1	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	O(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6,6]C[6])	119.4120	0.434	2	119.8877	0.773	3	119.8877	0.773	3	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	O(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6,6]C[6])	120.8390	0.000	1	119.8877	0.773	3	119.8877	0.773	3	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	C[5a,6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H){1|S<4>,4|C<3>}	O(N[6]C[6,6a]C[6])	119.8150	0.000	1	119.8150	0.000	1	119.8150	0.000	1	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	O(N[6]C[6,6a]C[6])	118.0410	0.000	1	118.0410	0.000	1	118.0410	0.000	1	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	120.2800	0.000	1	120.2800	0.000	1	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	118.8300	0.000	1	120.0546	1.143	25	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	118.6927	1.911	3	120.0546	1.143	25	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	119.9990	0.000	1	120.0546	1.143	25	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	120.3032	1.282	4	120.0546	1.143	25	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	O(N[6]C[6,6a]C[6])	120.5140	0.000	1	120.0546	1.143	25	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	120.1293	0.681	11	120.0546	1.143	25	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	O(N[6]C[6,6a]C[6])	120.6260	0.621	2	120.0546	1.143	25	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|S<2>,2|C<3>}	O(N[6]C[6,6a]C[6])	121.1700	0.000	1	120.0546	1.143	25	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){3|C<3>}	O(N[6]C[6,6a]C[6])	120.8860	0.000	1	120.0546	1.143	25	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H){2|C<3>}	O(N[6]C[6,6a]C[6])	121.2530	0.000	1	121.8290	0.146	5	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	121.9730	0.238	4	121.8290	0.146	5	120.3480	1.371	31	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(N[6]C[6]2)	119.6000	0.000	1	119.6000	0.000	1	120.1072	0.299	4	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	O(N[6]C[6]2)	119.7980	0.000	1	120.3185	0.542	2	120.1072	0.299	4	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	O(N[6]C[6]2)	120.8390	0.000	1	120.3185	0.542	2	120.1072	0.299	4	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|H<1>,4|C<3>}	O(N[6]C[6]2)	120.1920	0.000	1	120.1920	0.000	1	120.1072	0.299	4	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:Br-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]O)(Br)	O(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]O)(Br){1|C<3>,2|H<1>}	O(N[6]C[6]2)	120.5740	0.000	1	120.5740	0.000	1	120.5740	0.000	1	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	O(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	120.9810	0.000	1	120.9810	0.000	1	120.5482	0.593	6	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl)	O(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.0430	0.000	1	119.0430	0.000	1	120.5482	0.593	6	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl)	O(N[6]C[6]2)	N[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	O(N[6]C[6]2)	120.5890	0.139	2	120.5890	0.019	2	120.5482	0.593	6	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	O(N[6]C[6]2)	N[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	O(N[6]C[6]2)	121.0435	0.008	2	121.0435	0.000	2	120.5482	0.593	6	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	120.9935	0.030	2	120.9935	0.001	2	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){2|C<3>}	O(N[6]C[6]2)	121.2290	0.000	1	121.2290	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	119.2010	0.000	1	118.1372	0.525	4	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	117.7827	0.182	3	118.1372	0.525	4	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	O(N[6]C[6]2)	119.6500	0.000	1	119.6500	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	O(N[6]C[6]2)	118.2450	0.627	4	118.2450	0.393	4	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]O)(H){1|H<1>,4|C<3>}	O(N[6]C[6]2)	118.0080	0.000	1	118.0080	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	119.2700	0.000	1	119.2700	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	119.8730	0.000	1	119.8730	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	119.0600	0.000	1	119.0600	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	118.6943	0.202	3	118.7206	1.500	22	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	118.2130	0.000	1	118.7206	1.500	22	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	120.0805	0.136	2	118.7206	1.500	22	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	O(N[6]C[6]2)	120.4230	0.000	1	118.7206	1.500	22	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	119.9940	0.954	5	118.7206	1.500	22	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	117.6667	0.535	9	118.7206	1.500	22	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	118.0030	0.000	1	118.7206	1.500	22	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(N[6]C[6]2)	119.4480	0.000	1	119.4480	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	118.9520	0.000	1	118.9520	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	119.2860	0.000	1	119.4200	1.317	45	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	119.5385	1.145	34	119.4200	1.317	45	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(N[6]C[6]2)	119.4800	0.000	1	119.4200	1.317	45	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	O(N[6]C[6]2)	120.0720	0.000	1	119.4200	1.317	45	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	119.3136	1.419	5	119.4200	1.317	45	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|N<3>,2|C<3>}	O(N[6]C[6]2)	118.1600	0.281	2	119.4200	1.317	45	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){3|C<3>}	O(N[6]C[6]2)	117.8620	0.000	1	119.4200	1.317	45	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(N[6]C[6]2)	118.2820	0.000	1	118.2820	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	O(N[6]C[6]2)	120.1680	0.298	6	120.0165	0.159	8	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(N[6]C[6]2)	119.8060	0.000	1	120.0165	0.159	8	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	O(N[6]C[6]2)	119.3180	0.000	1	120.0165	0.159	8	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	O(N[6]C[6]2)	119.3880	0.000	1	120.3950	0.352	5	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	O(N[6]C[6]2)	120.6467	0.218	4	120.3950	0.352	5	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(N[6]C[6]2)	120.4570	0.000	1	120.2620	0.076	2	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	O(N[6]C[6]2)	120.0670	0.000	1	120.2620	0.076	2	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(N[6]C[6]2)	119.7420	0.392	3	120.1324	0.363	5	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|I<1>,1|N<3>}	O(N[6]C[6]2)	120.7180	0.000	2	120.1324	0.363	5	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	O(N[6]C[6]2)	121.6360	0.000	1	121.6360	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(N[6]C[6]2)	122.1310	0.000	1	120.6192	0.395	14	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	120.5029	0.472	13	120.6192	0.395	14	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(N[6]C[6]2)	121.3430	0.510	21	121.3430	0.260	21	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>}	O(N[6]C[6]2)	122.2360	0.000	1	122.2360	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(N[6]C[6]2)	119.2865	1.006	2	119.2865	1.012	2	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	118.8710	0.545	4	118.8710	0.297	4	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	120.4393	1.222	30	120.1445	1.046	55	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.5230	0.565	9	120.1445	1.046	55	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.9043	0.333	4	120.1445	1.046	55	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	120.2340	0.278	4	120.1445	1.046	55	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.8460	0.078	2	120.1445	1.046	55	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.8030	0.750	6	120.1445	1.046	55	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]F)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	119.7250	0.327	2	119.7250	0.107	2	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	120.2255	0.561	4	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	119.9855	1.083	30	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.4549	0.507	9	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.5850	0.752	2	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(N[6]C[6]2)	120.1380	0.329	4	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	120.0228	0.803	54	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(N[6]C[6]2)	119.7220	0.691	12	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	119.7993	0.686	25	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(N[6]C[6]2)	119.6834	0.378	8	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	O(N[6]C[6]2)	119.9320	0.235	2	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.6156	0.705	39	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	119.9864	0.859	373	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.5230	1.065	4	119.9355	0.702	566	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	118.7585	0.904	2	118.5920	0.428	4	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	118.4255	0.596	2	118.5920	0.428	4	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	O(N[6]C[6]2)	120.1810	0.000	1	119.6366	0.522	5	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	O(N[6]C[6]2)	119.5005	0.757	4	119.6366	0.522	5	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|Cl<1>,1|H<1>,1|N<2>}	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	O(N[6]C[6]2)	120.2280	0.000	1	120.2280	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	O(N[6]C[6]2)	121.4760	0.000	1	120.7597	0.429	58	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	O(N[6]C[6]2)	120.9737	0.174	4	120.7597	0.429	58	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|Cl<1>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	O(N[6]C[6]2)	120.3360	0.000	1	120.7597	0.429	58	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|H<1>,1|N<2>,1|S<4>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	O(N[6]C[6]2)	121.5400	0.000	1	120.7597	0.429	58	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	O(N[6]C[6]2)	120.4411	0.864	10	120.7597	0.429	58	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	O(N[6]C[6]2)	120.7904	0.614	41	120.7597	0.429	58	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]S)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)2(O){1|H<1>,1|N<2>,1|S<4>}	C[6](C[6]N[6]S)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	O(N[6]C[6]2)	120.0120	0.000	1	120.0120	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|N<3>}	O(N[6]C[6]2)	119.4250	0.000	1	119.4250	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Se)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Se<2>,1|C<3>,1|H<1>}	O(N[6]C[6]2)	124.8300	0.000	1	124.8300	0.000	1	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	119.8730	0.000	1	118.3108	3.256	12	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,3|C<3>}	O(N[6]C[6]2)	114.7520	0.018	2	118.3108	3.256	12	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	119.9240	0.000	1	118.3108	3.256	12	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	118.5070	0.799	4	118.3108	3.256	12	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	118.7220	0.526	2	118.3108	3.256	12	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)	119.4785	0.192	2	118.3108	3.256	12	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	120.4457	0.240	3	120.4457	0.058	3	119.9513	1.023	858	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:I-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	123.3130	0.000	2	121.4880	2.980	5	121.4880	2.980	5	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:I-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,2|H<1>}	O(N[6]C[6]2)	120.2713	0.640	3	121.4880	2.980	5	121.4880	2.980	5	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]N)(C[6]N[6]O)(O)	C[6](N[6]C[6]O)2(O)	O(N[6]C[6]2)	N[6](C[6]N[6]N)(C[6]N[6]O)(O){1|C<3>,1|O<2>}	C[6](N[6]C[6]O)2(O){1|N<2>,2|N<3>}	O(N[6]C[6]2)	118.1690	0.000	1	118.1690	0.000	1	118.1690	0.000	1	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6]O)(O)	C[6](C[6]C[6]H)(N[6]N[6]O)(H)	O(N[6]C[6]N[6])	N[6](C[6]C[6]H)(N[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	O(N[6]C[6]N[6])	124.3070	0.107	2	124.3070	0.012	2	124.3070	0.012	2	119.9849	1.095	914	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:N-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN){1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	120.0690	0.000	1	120.0690	0.000	1	120.0690	0.000	1	117.8028	1.755	25	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	117.2710	0.000	1	118.3250	2.222	2	118.3250	2.222	2	117.8028	1.755	25	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.3790	0.000	1	118.3250	2.222	2	118.3250	2.222	2	117.8028	1.755	25	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(SC)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SC){1|C<3>,2|H<1>}	O(N[6]C[6]2)	118.0491	0.662	17	118.0491	0.438	17	117.8794	0.495	21	117.8028	1.755	25	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(SS)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SS){1|C<3>,2|H<1>}	O(N[6]C[6]2)	117.1580	0.330	4	117.1580	0.109	4	117.8794	0.495	21	117.8028	1.755	25	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:Se-2:	N[6]-3:	N[6](C[6]C[6]Se)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl)	O(N[6]C[6]2)	N[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl){1|C<3>,2|H<1>}	O(N[6]C[6]2)	112.8850	0.000	1	112.8850	0.000	1	112.8850	0.000	1	117.8028	1.755	25	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:O-1:	C[6a]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C)	O(N[6]C[6,6]C[6])	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	O(N[6]C[6,6]C[6])	119.4700	0.462	2	119.4700	0.214	2	119.4700	0.214	2	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[5a]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	O(N[6]C[6,6a]C[6])	121.7420	0.724	2	121.7420	0.524	2	121.7420	0.524	2	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C[5]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,3|C<3>,3|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|N<3>,3|O<1>}	O(N[6]C[6,6a]C[6])	121.6225	0.043	2	121.6225	0.002	2	121.6225	0.002	2	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,5|C<3>}	O(N[6]C[6,6a]C[6])	117.4610	0.000	1	117.4610	0.000	1	119.3225	6.930	2	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,4|C<3>}	O(N[6]C[6,6a]C[6])	121.1840	0.000	1	121.1840	0.000	1	119.3225	6.930	2	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[5]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	O(N[6]C[6,6a]C[6])	121.4900	0.106	2	121.4900	0.011	2	121.4900	0.011	2	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	O(N[6]C[6,6a]C[6])	121.4560	0.092	2	121.4560	0.008	2	121.3705	0.038	4	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	O(N[6]C[6,6a]C[6])	121.4790	0.000	1	121.4790	0.000	1	121.3705	0.038	4	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){1|O<1>,2|H<1>,4|C<3>}	O(N[6]C[6,6a]C[6])	121.0910	0.000	1	121.0910	0.000	1	121.3705	0.038	4	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(N[6]C[6]2)	120.5020	0.601	2	120.5020	0.361	2	119.8135	3.337	4	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	O(N[6]C[6]2)	121.0940	0.000	1	121.0940	0.000	1	119.8135	3.337	4	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	O(N[6]C[6]2)	117.1560	0.000	1	117.1560	0.000	1	119.8135	3.337	4	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	O(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|N<3>,1|O<2>,2|N<2>}	O(N[6]C[6]2)	118.0230	0.000	1	118.0230	0.000	1	118.0230	0.000	1	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	O(N[6]C[6]2)	121.2307	0.280	3	121.2307	0.078	3	121.2035	0.055	4	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6]2)	121.1220	0.000	1	121.1220	0.000	1	121.2035	0.055	4	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	O(N[6]C[6]2)	119.9990	0.000	1	119.9990	0.000	1	119.9990	0.000	1	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|I<1>,2|H<1>,6|C<3>}	O(N[6]C[6]2)	121.8890	0.000	1	121.7437	0.072	3	121.4516	1.139	5	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	O(N[6]C[6]2)	121.9080	0.000	1	121.7437	0.072	3	121.4516	1.139	5	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){2|H<1>,7|C<3>}	O(N[6]C[6]2)	121.4340	0.000	1	121.7437	0.072	3	121.4516	1.139	5	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){2|Br<1>,2|H<1>,5|C<3>}	O(N[6]C[6]2)	119.6400	0.000	1	119.6400	0.000	1	121.4516	1.139	5	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(O){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	O(N[6]C[6]2)	122.3870	0.000	1	122.3870	0.000	1	121.4516	1.139	5	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(N[6]C[6]2)	121.9640	0.000	1	121.9640	0.000	1	121.9640	0.000	1	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]N[6])(C[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]N[6])(C[6]C[6a]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	O(N[6]C[6]2)	120.8183	0.210	4	120.8183	0.044	4	120.8183	0.044	4	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O(N[6]C[6]2)	119.8670	0.000	1	119.8670	0.000	1	121.3386	2.333	21	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(N[6]C[6]2)	120.7690	0.000	1	120.0690	0.934	6	121.3386	2.333	21	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	O(N[6]C[6]2)	119.5503	0.636	4	120.0690	0.934	6	121.3386	2.333	21	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	O(N[6]C[6]2)	121.4440	0.000	1	120.0690	0.934	6	121.3386	2.333	21	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(N[6]C[6]2)	120.3360	0.000	1	119.9730	0.105	3	121.3386	2.333	21	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(N[6]C[6]2)	119.7915	0.110	2	119.9730	0.105	3	121.3386	2.333	21	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6]2)	122.7234	0.448	9	122.7826	0.213	10	121.3386	2.333	21	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6]2)	123.3150	0.000	1	122.7826	0.213	10	121.3386	2.333	21	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)2(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)2(O){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	O(N[6]C[6]2)	120.0840	0.000	1	120.0840	0.000	1	121.3386	2.333	21	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]N[6])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]N[6])(C[6]C[6a]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	O(N[6]C[6]2)	117.6715	0.251	4	117.6715	0.063	4	117.9530	0.578	6	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	O(N[6]C[6]2)	117.5800	0.000	1	117.5800	0.000	1	117.9530	0.578	6	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){3|H<1>,4|C<3>}	O(N[6]C[6]2)	119.4520	0.000	1	119.4520	0.000	1	117.9530	0.578	6	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(N[6]C[6]2)	119.6930	0.000	1	119.6930	0.000	1	119.6930	0.000	1	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O){1|C<4>,2|C<3>}	O(N[6]C[6]2)	115.6190	0.000	1	115.6190	0.000	1	120.1531	4.604	10	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH){1|C<3>,2|H<1>}	O(N[6]C[6]2)	118.7490	0.393	2	118.7490	0.155	2	120.1531	4.604	10	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO){1|C<3>,2|H<1>}	O(N[6]C[6]2)	122.7480	0.547	2	122.7480	0.300	2	120.1531	4.604	10	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.3280	0.000	1	119.3280	0.000	1	120.1531	4.604	10	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	120.7655	0.156	2	120.8975	0.039	4	120.1531	4.604	10	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	O(N[6]C[6]2)	120.9240	0.000	1	120.8975	0.039	4	120.1531	4.604	10	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|H<1>,2|C<3>}	O(N[6]C[6]2)	121.1350	0.000	1	120.8975	0.039	4	120.1531	4.604	10	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	118.1570	0.000	1	118.1570	0.000	1	118.9702	1.666	22	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.0259	0.514	12	119.0259	0.265	12	118.9702	1.666	22	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H)	O(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.2080	0.000	1	119.2080	0.000	1	118.9702	1.666	22	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	O(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(O){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	O(N[6]C[6]2)	117.6715	0.924	2	117.6715	0.854	2	118.9702	1.666	22	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	O(N[6]C[6]2)	N[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	117.9480	0.000	2	117.9480	0.000	2	118.9702	1.666	22	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(O)	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH)	O(N[6]C[6]2)	N[6](C[6]C[6]N)2(O){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|N<3>}	O(N[6]C[6]2)	118.2420	0.902	2	118.2420	0.814	2	118.9702	1.666	22	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(O)	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO)	O(N[6]C[6]2)	N[6](C[6]C[6]N)2(O){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO){1|C<3>,1|N<3>}	O(N[6]C[6]2)	121.9730	2.256	2	121.9730	5.088	2	118.9702	1.666	22	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(N[6]C[6]2)	119.8560	0.000	1	119.8560	0.000	1	121.1114	2.441	14	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){2|H<1>,4|C<3>}	O(N[6]C[6]2)	123.1160	0.000	1	123.1160	0.000	1	121.1114	2.441	14	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){3|C<3>,4|H<1>}	O(N[6]C[6]2)	119.9160	0.000	1	122.7330	5.962	3	121.1114	2.441	14	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){4|C<3>,4|H<1>}	O(N[6]C[6]2)	124.1415	0.144	2	122.7330	5.962	3	121.1114	2.441	14	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	O(N[6]C[6]2)	120.1170	0.000	1	120.1015	0.000	2	121.1114	2.441	14	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	O(N[6]C[6]2)	120.0860	0.000	1	120.1015	0.000	2	121.1114	2.441	14	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6]2)	120.7835	0.216	4	120.7835	0.047	4	121.1114	2.441	14	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	O(N[6]C[6]2)	119.2010	0.000	1	119.2010	0.000	1	121.1114	2.441	14	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]Pt)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6]2)	120.9250	0.006	2	120.9250	0.000	2	121.1114	2.441	14	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(O)	C[6](N[6]C[6]O)2(NHH)	O(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(O){1|C<3>,1|N<3>,1|O<2>}	C[6](N[6]C[6]O)2(NHH){1|C<3>,2|N<3>}	O(N[6]C[6]2)	116.7895	0.599	2	116.7895	0.359	2	118.2099	1.173	8	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(O)	C[6](N[6]C[6]O)2(NHH)	O(N[6]C[6]2)	N[6](C[6]N[6]N)2(O){1|C<3>,1|O<1>}	C[6](N[6]C[6]O)2(NHH){1|N<2>,2|N<3>}	O(N[6]C[6]2)	118.6833	0.704	6	118.6833	0.495	6	118.2099	1.173	8	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	N[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(N[6]C[6]2)	119.8200	0.000	1	120.5823	0.436	3	120.5823	0.436	3	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	N[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	O(N[6]C[6]2)	120.9635	0.025	2	120.5823	0.436	3	120.5823	0.436	3	120.2118	3.060	121	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3)	O(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(N[6]C[5a,6]C[6])	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:S-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO){1|O<1>,4|C<3>}	O(N[6]C[6,6a]C[6])	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	O(N[6]C[6,6a]C[6])	119.9860	0.000	1	119.9860	0.000	1	121.0898	1.288	9	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){2|C<3>}	O(N[6]C[6,6a]C[6])	120.8648	1.492	4	121.1110	1.704	6	121.0898	1.288	9	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	121.6035	1.057	2	121.1110	1.704	6	121.0898	1.288	9	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH){1|O<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	121.7800	0.000	1	121.7800	0.000	1	121.0898	1.288	9	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3){1|O<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	121.3760	0.000	1	121.3760	0.000	1	121.0898	1.288	9	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|O<2>,1|P<4>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3){1|C<4>,3|C<3>}	O(N[6]C[6]2)	118.1920	0.000	1	118.1920	0.000	1	119.6325	4.150	2	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(N[6]C[6]2)	121.0730	0.000	1	121.0730	0.000	1	119.6325	4.150	2	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(N[6]C[6]2)	119.3000	0.141	4	119.9330	2.018	5	119.9587	1.619	6	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|H<1>,4|C<3>}	O(N[6]C[6]2)	122.4650	0.000	1	119.9330	2.018	5	119.9587	1.619	6	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|H<1>,4|C<3>}	O(N[6]C[6]2)	120.0870	0.000	1	120.0870	0.000	1	119.9587	1.619	6	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|O<2>,1|P<4>}	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	O(N[6]C[6]2)	118.3460	0.000	1	118.3460	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	O(N[6]C[6]2)	117.5570	0.000	1	117.5570	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(N[6]C[6]2)	118.1397	0.095	4	118.1397	0.009	4	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3){1|H<1>,2|C<3>}	O(N[6]C[6]2)	118.6320	0.000	1	118.6320	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	118.7320	0.035	3	119.2357	1.016	4	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	O(N[6]C[6]2)	120.7470	0.000	1	119.2357	1.016	4	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.0242	1.082	4	119.0242	1.170	4	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(N[6]C[6]2)	119.8820	0.000	1	119.8820	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3){1|C<3>,2|H<1>}	O(N[6]C[6]2)	120.1320	0.000	1	120.1320	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.9610	0.000	1	119.9610	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.7950	0.000	1	119.7950	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(N[6]C[6]2)	120.1700	0.000	1	120.1700	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	O(N[6]C[6]2)	118.9230	0.000	1	119.4707	0.447	14	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	119.6160	0.000	1	119.4707	0.447	14	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.5042	0.705	12	119.4707	0.447	14	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|C<3>,2|H<1>}	O(N[6]C[6]2)	121.1210	0.000	1	119.9995	2.516	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|H<1>,2|C<3>}	O(N[6]C[6]2)	118.8780	0.000	1	119.9995	2.516	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.7246	0.875	9	119.7246	0.766	9	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.5775	1.761	2	119.5775	3.103	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS){1|C<3>,2|H<1>}	O(N[6]C[6]2)	119.4895	0.138	2	119.4895	0.019	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	O(N[6]C[6]2)	118.1750	0.000	1	118.1750	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(N[6]C[6]2)	119.9220	0.000	1	120.0015	0.013	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	O(N[6]C[6]2)	120.0810	0.000	1	120.0015	0.013	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	O(N[6]C[6]2)	120.1827	0.444	6	120.0011	0.271	11	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(N[6]C[6]2)	119.8810	0.000	1	120.0011	0.271	11	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	O(N[6]C[6]2)	119.7587	0.653	4	120.0011	0.271	11	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)	120.5400	0.000	1	120.5400	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	119.3510	0.000	1	119.3510	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	119.2475	0.435	2	119.2475	0.189	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	118.6665	0.561	2	118.6665	0.314	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	119.5200	0.004	2	119.5200	0.000	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	119.5677	0.554	3	119.5677	0.307	3	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)	119.9580	0.054	2	119.9580	0.003	2	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	O(N[6]C[6]2)	118.8350	0.000	1	119.2636	0.373	33	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>}	O(N[6]C[6]2)	119.2972	0.885	4	119.2636	0.373	33	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	O(N[6]C[6]2)	119.2741	0.590	28	119.2636	0.373	33	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]C)2(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	O(N[6]C[6]2)	119.8740	0.000	1	119.8740	0.000	1	119.4133	0.605	110	119.5976	0.966	129	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[3x6]-4:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O)	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	O(N[6]C[6,6a]C[6])	121.6440	0.000	1	121.6440	0.000	1	121.6440	0.000	1	120.3523	0.730	10	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	O(N[6]C[6]2)	118.6740	0.000	1	118.6740	0.000	1	118.6740	0.000	1	120.3523	0.730	10	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	O(N[6]C[6]2)	119.8753	0.201	3	119.8753	0.040	3	120.4006	0.295	8	120.3523	0.730	10	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	O(N[6]C[6]2)	120.3790	0.000	1	120.3790	0.000	1	120.4006	0.295	8	120.3523	0.730	10	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	O(N[6]C[6]2)	120.2260	0.000	1	120.2260	0.000	1	120.4006	0.295	8	120.3523	0.730	10	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(N[6]C[6]2)	120.9913	0.202	3	120.9913	0.041	3	120.4006	0.295	8	120.3523	0.730	10	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CC)(O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	O(N[6]C[6]2)	122.5660	0.000	1	122.5660	0.000	1	124.0390	4.339	2	121.4154	8.565	7	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	O(N[6]C[6]2)	125.5120	0.000	1	125.5120	0.000	1	124.0390	4.339	2	121.4154	8.565	7	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O)	O(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O){1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	O(N[6]C[6]2)	125.0800	0.000	1	125.0800	0.000	1	125.0800	0.000	1	121.4154	8.565	7	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:O-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(O)	C[6](C[6a]C[6a]2)(N[6]C[6]O)2	O(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	O(N[6]C[6]2)	119.1875	0.026	4	119.1875	0.001	4	119.1875	0.001	4	121.4154	8.565	7	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	3:4:1:	4:3:3:	3:	C[6]-3:C[6]-4:O-1:	C[6,6]-4:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH)	O(N[6]C[6]2)	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O){1|O<2>,4|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH){3|C<4>,8|H<1>}	O(N[6]C[6]2)	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]N[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6a]N[6])(N[6]C[6]O)(H)	O(N[6]C[6]2)	N[6](C[6]N[6]CC)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(N[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>}	O(N[6]C[6]2)	124.3683	0.502	4	124.3683	0.252	4	124.3683	0.252	4	124.3683	0.252	4	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH)	O(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	O(N[6]C[5,6]C[6])	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	123.9673	0.676	3	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	O(N[6]C[6]2)	124.7000	0.000	1	124.4120	0.166	2	124.4120	0.166	2	123.9673	0.676	3	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	O(N[6]C[6]2)	124.1240	0.000	1	124.4120	0.166	2	124.4120	0.166	2	123.9673	0.676	3	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6]O[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO)	O(N[6]C[6]2)	N[6](C[6]O[6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO){1|O<2>,2|C<4>,2|H<1>}	O(N[6]C[6]2)	127.1700	0.000	1	127.1700	0.000	1	127.1700	0.000	1	123.3220	29.614	2	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH)	O(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH){1|C<4>,4|H<1>}	O(N[6]C[6]2)	119.4740	0.000	1	119.4740	0.000	1	119.4740	0.000	1	123.3220	29.614	2	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)	N[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	O(N[6]C[6]2)	118.5600	0.000	1	118.5600	0.000	1	120.3485	6.397	2	120.3485	6.397	2	119.9778	1.929	1248	119.9847	1.973	1257
856	762	863	0:SP2_SP2_SP2	N[6]	C[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)	O(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO){1|C<4>,1|O<2>,3|H<1>}	O(N[6]C[6]2)	122.1370	0.000	1	122.1370	0.000	1	120.3485	6.397	2	120.3485	6.397	2	119.9778	1.929	1248	119.9847	1.973	1257
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[3x6]	4:3:3:	3:3:1:	3:4:4:2:	B[3x6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6])	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6]){3|C<3>,3|C<4>,9|H<1>}	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	123.1997	1.227	6	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[3x6]	4:3:3:	3:3:1:	3:4:4:4:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H){1|B<4>,3|C<4>,4|C<3>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	122.6980	0.000	1	122.6980	0.000	1	122.6980	0.000	1	123.2964	1.463	5	123.1997	1.227	6	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[3x6]	4:3:3:	3:3:1:	3:4:4:4:	B[3x6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H)	C[6](N[6,6]B[3x6]C[6,6])2(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H){1|B<4>,3|C<3>,4|H<1>,5|C<4>}	C[6](N[6,6]B[3x6]C[6,6])2(H){3|C<3>,6|C<4>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	123.4460	1.342	4	123.4460	1.802	4	123.4460	1.802	4	123.2964	1.463	5	123.1997	1.227	6	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6,6]	4:3:3:	3:3:1:	3:3:3:2:	B[6,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:O[6]-2:	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|B<4>,3|H<1>,8|C<3>}	116.7060	2.314	2	116.7060	5.353	2	116.7060	5.353	2	116.7060	5.353	2	116.7060	5.353	2	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6]-3:C[6]-3:B[6]-4:	N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF)	C[6](N[6,6]C[6,6]B[6])2(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF){1|B<4>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])2(H){2|O<2>,3|C<3>,4|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<3>,3|C<3>}	119.9240	0.000	1	119.9240	0.000	1	119.9240	0.000	1	119.9240	0.000	1	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:2:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	119.2480	0.000	1	119.9306	1.061	7	119.9306	1.061	7	119.9306	1.061	7	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:2:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	119.1530	0.000	1	119.9306	1.061	7	119.9306	1.061	7	119.9306	1.061	7	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:2:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|O<2>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	119.0410	0.000	1	119.9306	1.061	7	119.9306	1.061	7	119.9306	1.061	7	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:2:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	120.5180	1.020	4	119.9306	1.061	7	119.9306	1.061	7	119.9306	1.061	7	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H){1|O<2>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	116.8900	0.000	1	116.8900	0.000	1	119.2416	1.309	18	119.2416	1.309	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	118.1755	0.466	2	118.1755	0.217	2	119.2416	1.309	18	119.2416	1.309	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	119.2402	0.960	6	119.5305	1.412	8	119.2416	1.309	18	119.2416	1.309	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	121.6770	0.000	1	119.5305	1.412	8	119.2416	1.309	18	119.2416	1.309	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	119.1260	0.000	1	119.5305	1.412	8	119.2416	1.309	18	119.2416	1.309	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	119.7135	0.262	2	119.7135	0.069	2	119.2416	1.309	18	119.2416	1.309	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	119.4872	0.846	5	119.4872	0.717	5	119.2416	1.309	18	119.2416	1.309	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:3:1:	C[6,6,6a]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	119.3430	0.000	1	119.3430	0.000	1	119.3430	0.000	1	119.1143	1.437	6	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	117.7150	0.000	1	117.7150	0.000	1	119.0686	1.780	5	119.1143	1.437	6	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	118.1880	0.000	1	118.9313	1.058	3	119.0686	1.780	5	119.1143	1.437	6	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	120.1050	0.000	1	118.9313	1.058	3	119.0686	1.780	5	119.1143	1.437	6	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	118.5010	0.000	1	118.9313	1.058	3	119.0686	1.780	5	119.1143	1.437	6	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F){1|C<4>,1|H<1>,3|C<3>}	120.8340	0.000	1	120.8340	0.000	1	119.0686	1.780	5	119.1143	1.437	6	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:4:4:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	117.0980	0.000	1	117.9705	0.998	6	117.9705	0.998	6	117.9705	0.998	6	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:4:4:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	117.8600	0.904	4	117.9705	0.998	6	117.9705	0.998	6	117.9705	0.998	6	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:4:4:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|H<1>,2|C<4>,3|C<3>}	119.2850	0.000	1	117.9705	0.998	6	117.9705	0.998	6	117.9705	0.998	6	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:Cl-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	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>}	120.3640	0.000	1	120.3640	0.000	1	120.3640	0.000	1	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	116.1906	0.193	5	116.1906	0.037	5	116.1906	0.037	5	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	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>}	113.9770	0.000	1	113.9770	0.000	1	116.1045	2.366	4	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	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>}	116.4965	0.678	2	116.8137	0.532	3	116.1045	2.366	4	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	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>}	117.4480	0.000	1	116.8137	0.532	3	116.1045	2.366	4	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	118.6730	0.000	1	118.6730	0.000	1	118.6730	0.000	1	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2{1|H<1>,1|S<2>,5|C<3>}	117.3000	0.000	1	117.3000	0.000	1	117.4137	1.363	10	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	116.9707	0.775	3	117.7733	2.977	4	117.4137	1.363	10	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	120.1810	0.000	1	117.7733	2.977	4	117.4137	1.363	10	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	116.8910	0.232	2	117.1488	0.615	5	117.4137	1.363	10	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	116.1290	0.000	1	117.1488	0.615	5	117.4137	1.363	10	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	117.9165	0.231	2	117.1488	0.615	5	117.4137	1.363	10	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,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>}	118.8330	0.540	2	118.6397	0.225	4	118.6397	0.225	4	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<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|H<1>,1|N<3>,4|C<3>}	118.1040	0.000	1	118.6397	0.225	4	118.6397	0.225	4	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<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|Br<1>,1|B<4>,1|H<1>,4|C<3>}	118.7890	0.000	1	118.6397	0.225	4	118.6397	0.225	4	117.3242	2.110	25	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:2:2:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-3:O-1:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	114.9110	0.000	1	114.9110	0.000	1	114.9110	0.000	1	114.9110	0.000	1	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:3:2:	C[6,6,6a]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H){1|H<1>,8|C<3>}	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	121.0280	0.476	2	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:3:2:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6])	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6]){1|N<3>,5|H<1>,7|C<3>}	121.5160	0.000	1	121.5160	0.000	1	121.5160	0.000	1	121.0280	0.476	2	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:4:4:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2{1|H<1>,4|C<3>}	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:4:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:Br-1:Br-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2{1|H<1>,4|C<3>}	120.9710	0.000	1	120.9710	0.000	1	120.9710	0.000	1	120.5280	3.142	3	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:4:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:F-1:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2{1|H<1>,4|C<3>}	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	120.5280	3.142	3	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:4:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:I-1:I-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|I<1>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2{1|H<1>,4|C<3>}	122.0370	0.000	1	122.0370	0.000	1	122.0370	0.000	1	120.5280	3.142	3	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H){1|B<4>,1|C<4>,6|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,4|F<1>,8|C<3>}	124.4865	1.895	4	124.4865	3.590	4	124.4865	3.590	4	121.9624	6.486	10	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){1|N<2>,4|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	120.0770	0.000	1	119.7237	0.347	4	119.7237	0.347	4	121.9624	6.486	10	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	119.4320	0.000	1	119.7237	0.347	4	119.7237	0.347	4	121.9624	6.486	10	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{2|F<1>,3|H<1>,8|C<3>}	120.3370	0.000	1	119.7237	0.347	4	119.7237	0.347	4	121.9624	6.486	10	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	119.0490	0.000	1	119.7237	0.347	4	119.7237	0.347	4	121.9624	6.486	10	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H)	C[6](N[6,6]C[6,6]B[6])2(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	C[6](N[6,6]C[6,6]B[6])2(H){2|C<4>,7|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,1|N<3>,4|F<1>,7|C<3>}	121.3915	0.619	2	121.3915	0.383	2	121.3915	0.383	2	121.9624	6.486	10	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:4:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C-4:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|C<4>,4|C<3>}	119.0060	0.000	1	119.0060	0.000	1	119.0060	0.000	1	119.0060	0.000	1	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C-4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	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>}	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:2:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	116.4895	0.090	2	116.6767	0.082	4	116.6767	0.082	4	117.3760	0.843	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:2:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	116.6430	0.000	1	116.6767	0.082	4	116.6767	0.082	4	117.3760	0.843	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:2:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	117.0850	0.000	1	116.6767	0.082	4	116.6767	0.082	4	117.3760	0.843	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:2:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	119.1970	0.000	1	118.0753	0.581	4	118.0753	0.581	4	117.3760	0.843	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:2:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	117.7465	0.230	2	118.0753	0.581	4	118.0753	0.581	4	117.3760	0.843	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:2:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	117.6110	0.000	1	118.0753	0.581	4	118.0753	0.581	4	117.3760	0.843	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:2:1:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H){2|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|N<2>,5|H<1>,7|C<3>}	122.4096	1.023	5	122.4096	1.047	5	122.4096	1.047	5	122.4096	1.047	5	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:2:2:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:O-2:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O){1|C<2>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|O<2>,1|S<2>,4|C<3>}	117.6970	0.000	1	117.6970	0.000	1	117.6970	0.000	1	117.6970	0.000	1	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:2:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:N-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N){1|C<2>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|N<3>,1|S<2>,4|C<3>}	123.9220	0.000	1	123.9220	0.000	1	123.9220	0.000	1	123.9220	0.000	1	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	115.6795	0.207	4	115.8305	0.114	6	115.7677	0.123	7	116.5782	1.926	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	116.1325	0.409	2	115.8305	0.114	6	115.7677	0.123	7	116.5782	1.926	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	115.3910	0.000	1	115.3910	0.000	1	115.7677	0.123	7	116.5782	1.926	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	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>}	115.4435	0.566	2	115.4435	0.321	2	115.4435	0.321	2	116.5782	1.926	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	116.3533	0.783	4	117.6317	2.201	8	117.4608	2.189	9	116.5782	1.926	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])2(F)2{2|H<1>,5|C<3>}	118.9103	0.404	4	117.6317	2.201	8	117.4608	2.189	9	116.5782	1.926	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	116.0930	0.000	1	116.0930	0.000	1	117.4608	2.189	9	116.5782	1.926	18	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:F-1:	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(F)	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(F){1|N<3>,4|H<1>,6|C<3>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|C<3>,7|H<1>}	118.5405	1.029	2	119.9846	2.913	5	120.7237	3.559	7	120.7237	3.559	7	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	119.4360	0.000	1	119.9846	2.913	5	120.7237	3.559	7	120.7237	3.559	7	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){5|H<1>,8|C<3>}	121.3750	0.000	1	119.9846	2.913	5	120.7237	3.559	7	120.7237	3.559	7	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	122.0310	0.000	1	119.9846	2.913	5	120.7237	3.559	7	120.7237	3.559	7	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){5|H<1>,8|C<3>}	122.5715	0.378	2	122.5715	0.143	2	120.7237	3.559	7	120.7237	3.559	7	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,7|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	121.6960	0.000	1	121.6960	0.000	1	121.6960	0.000	1	120.7171	1.780	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2{1|N<2>,1|O<1>,5|H<1>,8|C<3>}	117.8380	0.000	1	117.8380	0.000	1	117.8380	0.000	1	120.7171	1.780	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,5|H<1>,7|C<3>}	120.8820	0.000	1	121.1060	0.038	3	121.1060	0.038	3	120.7171	1.780	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){5|H<1>,8|C<3>}	121.2180	0.008	2	121.1060	0.038	3	121.1060	0.038	3	120.7171	1.780	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,8|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	120.7171	1.780	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:3:	B[6]-4:N[6,6]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[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[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,9|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,5|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>}	121.5935	0.333	2	121.5935	0.111	2	121.5935	0.111	2	120.7171	1.780	8	118.8984	5.334	131	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[3x6]	4:3:3:	3:3:1:	3:3:3:3:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(N[6]C[6]2)	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2{4|H<1>,5|C<3>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(N[6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	121.4025	0.916	2	121.4025	0.839	2	121.4025	0.839	2	121.0495	1.266	4	120.9550	1.512	10	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[3x6]	4:3:3:	3:3:1:	3:3:3:3:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	B[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(N[6]C[6]2)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{4|H<1>,5|C<3>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	B[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	120.6965	1.569	2	120.6965	2.462	2	120.6965	2.462	2	121.0495	1.266	4	120.9550	1.512	10	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[3x6]	4:3:3:	3:3:1:	4:3:3:3:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N[6]-3:	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	120.4875	2.467	2	120.4875	6.087	2	120.4875	6.087	2	120.4875	6.087	2	120.9550	1.512	10	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[3x6]	4:3:3:	3:3:1:	4:4:4:3:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2)	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2{1|C<3>,5|C<4>,6|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2){2|C<3>,5|C<4>,9|H<1>}	121.2515	1.143	2	121.2515	1.307	2	121.2515	1.307	2	121.0943	1.057	4	120.9550	1.512	10	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[3x6]	4:3:3:	3:3:1:	4:4:4:3:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<3>,3|C<4>,8|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	120.9370	1.328	2	120.9370	1.763	2	120.9370	1.763	2	121.0943	1.057	4	120.9550	1.512	10	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	4:3:3:	3:3:1:	3:3:3:3:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	B[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6a])(N[6]C[6]2)	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	B[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6a])(N[6]C[6]2){10|C<3>,4|H<1>}	120.9958	2.434	4	120.9958	5.922	4	120.9958	5.922	4	121.0206	6.128	12	121.1325	4.840	20	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	4:3:3:	3:3:1:	3:3:3:3:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:N[6]-3:	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(N[6]C[6]2)	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	B[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(N[6]C[6]2){10|C<3>,4|H<1>}	121.0330	2.663	8	121.0330	7.091	8	121.0330	7.091	8	121.0206	6.128	12	121.1325	4.840	20	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	4:3:3:	3:3:1:	4:4:3:1:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H)	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H){10|H<1>,2|C<3>,2|C<4>}	121.7410	2.343	2	121.7410	5.491	2	121.7410	5.491	2	121.7410	5.491	2	121.1325	4.840	20	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	4:3:3:	3:3:1:	4:4:3:4:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH){2|C<3>,3|C<4>,9|H<1>}	119.3985	0.057	2	119.3985	0.003	2	120.0962	1.577	4	120.0962	1.577	4	121.1325	4.840	20	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	4:3:3:	3:3:1:	4:4:3:4:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI){10|H<1>,2|C<3>,2|C<4>}	120.7940	1.667	2	120.7940	2.780	2	120.0962	1.577	4	120.0962	1.577	4	121.1325	4.840	20	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	4:3:3:	3:4:3:	4:4:3:4:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C-4:C[6]-3:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH){2|C<3>,3|C<4>,9|H<1>}	123.2680	0.153	2	123.2680	0.023	2	123.2680	0.023	2	123.2680	0.023	2	121.1325	4.840	20	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-3:N[6]-3:H-1:	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H){2|C<4>,2|H<1>,7|C<3>}	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	120.6056	18.711	5	121.1688	6.161	16	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[6]C[6]2)(Cl)	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2{1|Si<4>,3|C<3>,3|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[6]C[6]2)(Cl){1|C<4>,2|C<3>,4|H<1>}	120.6005	7.871	2	120.6005	61.950	2	120.6005	61.950	2	120.6056	18.711	5	121.1688	6.161	16	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a,6]-3:N[6]-3:H-1:	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H)	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|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>}	121.9220	1.597	2	121.9220	2.549	2	121.9220	2.549	2	120.6056	18.711	5	121.1688	6.161	16	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:3:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	B[6](C[6]C[6,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	B[6](C[6]C[6,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2){1|C<4>,3|H<1>,7|C<3>}	120.4795	1.406	2	120.4795	1.978	2	120.4795	1.978	2	120.4795	1.978	2	121.1688	6.161	16	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	4:4:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6](B[6]C[6]2H)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H)	N[6](B[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,6|H<1>}	121.6280	0.516	2	121.6280	0.266	2	121.6280	0.266	2	121.6280	0.266	2	121.1688	6.161	16	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	4:4:3:3:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:N[6]-3:	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(N[6]C[6]2){1|B<4>,4|C<3>,4|C<4>,6|H<1>}	121.7070	0.802	2	121.3668	1.556	6	121.3668	1.556	6	121.3668	1.556	6	121.1688	6.161	16	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	4:4:3:3:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:N[6]-3:	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(N[6]C[6]2){1|B<3>,4|C<3>,4|C<4>,6|H<1>}	121.0865	2.593	2	121.3668	1.556	6	121.3668	1.556	6	121.3668	1.556	6	121.1688	6.161	16	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	4:4:3:3:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:N[6]-3:	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(N[6]C[6]2){1|B<4>,4|C<3>,4|C<4>,6|H<1>}	121.3070	0.129	2	121.3668	1.556	6	121.3668	1.556	6	121.3668	1.556	6	121.1688	6.161	16	119.5632	6.339	185
856	762	874	0:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:3:	3:3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[5,6]-3:N[6]-3:H-1:	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH)	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH){3|C<3>,3|H<1>}	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H){2|C<4>,2|H<1>,7|C<3>}	123.2560	0.000	1	123.2560	0.000	1	123.2560	0.000	1	123.2560	0.000	1	121.1688	6.161	16	119.5632	6.339	185
856	762	874	6:SP2_SP2_SP3	N[3x6]	C[6,6]	B[6,6]	3:3:4:	3:3:2:	3:2:2:1:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	N[3x6]-3:C[6]-3:N[6]-2:	N[3x6]-3:O[6]-2:O[6]-2:F-1:	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F)	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F)	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F){2|H<1>,3|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F){2|N<2>,4|C<3>}	118.7170	0.710	4	118.7170	0.504	4	118.7170	0.504	4	118.7170	0.504	4	118.9444	2.074	20	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[3x6]	C[6,6]	B[6,6]	3:3:4:	3:3:3:	3:2:2:2:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	C[6,6a]-3:N[3x6]-3:C[6]-3:	N[3x6]-3:O[6]-2:O[6]-2:O-2:	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH)	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){1|H<1>,3|O<2>,5|C<3>}	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH){6|C<3>}	118.8315	1.248	2	118.8315	1.558	2	118.8315	1.558	2	118.8315	1.558	2	118.9444	2.074	20	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[3x6]	C[6,6]	B[6,6]	3:3:4:	3:3:3:	3:3:2:2:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	C[6,6a]-3:N[3x6]-3:C[6]-3:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2{1|H<1>,1|O<2>,8|C<3>}	119.3200	3.940	2	119.0927	2.379	10	119.0927	2.379	10	119.0927	2.379	10	118.9444	2.074	20	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[3x6]	C[6,6]	B[6,6]	3:3:4:	3:3:3:	3:3:2:2:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	C[6,6a]-3:N[3x6]-3:C[6]-3:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2{2|H<1>,8|C<3>}	119.0359	0.907	8	119.0927	2.379	10	119.0927	2.379	10	119.0927	2.379	10	118.9444	2.074	20	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[3x6]	C[6,6]	B[6,6]	4:3:3:	3:3:2:	3:3:3:3:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	N[3x6]-3:C[6]-3:N[6]-2:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|C<4>,2|H<1>,2|N<2>,4|C<3>}	119.1170	0.164	2	118.8575	4.812	4	118.8575	4.812	4	118.8575	4.812	4	118.9444	2.074	20	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[3x6]	C[6,6]	B[6,6]	4:3:3:	3:3:2:	3:3:3:3:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	N[3x6]-3:C[6]-3:N[6]-2:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|H<1>,2|N<2>,6|C<3>}	118.5980	3.760	2	118.8575	4.812	4	118.8575	4.812	4	118.8575	4.812	4	118.9444	2.074	20	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[3x6]	B[6,6]	4:3:4:	3:3:3:	3:3:3:2:	B[6,6]-4:C[3x6]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O-2:	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH)	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2)	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS)	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2){1|O<3>,2|C<4>,2|N<3>,2|O<2>,8|H<1>}	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	121.8735	8.916	2	121.8735	79.493	2	121.8735	79.493	2	121.8735	79.493	2	121.8735	79.493	2	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[3x6]	3:4:3:	3:3:3:	3:4:4:4:	C[6,6a]-3:B[3x6]-4:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H)	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	118.4086	2.458	7	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[3x6]	4:3:3:	3:3:3:	3:4:4:2:	B[3x6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6])	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6]){3|C<3>,3|C<4>,9|H<1>}	117.4470	0.000	1	117.4470	0.000	1	117.4470	0.000	1	117.4470	0.000	1	118.4086	2.458	7	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[3x6]	4:3:3:	3:3:3:	3:4:4:4:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	119.4530	0.000	1	119.4530	0.000	1	119.1362	1.003	5	119.1362	1.003	5	118.4086	2.458	7	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[3x6]	4:3:3:	3:3:3:	3:4:4:4:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H){1|B<4>,3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	119.0570	1.138	4	119.0570	1.296	4	119.1362	1.003	5	119.1362	1.003	5	118.4086	2.458	7	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6,6]	4:3:3:	3:3:3:	3:3:3:2:	B[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:O[6]-2:	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|B<4>,3|H<1>,8|C<3>}	123.1325	2.490	2	123.1325	6.199	2	123.1325	6.199	2	123.1325	6.199	2	123.1325	6.199	2	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:2:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:N[5,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF){2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|O<1>,5|C<3>}	121.7837	0.328	3	121.7837	0.107	3	121.7837	0.107	3	121.1830	0.746	5	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:2:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF){2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{1|N<2>,6|C<3>}	120.2820	0.255	2	120.2820	0.065	2	120.2820	0.065	2	121.1830	0.746	5	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|N<2>,4|C<3>}	119.0090	0.000	1	119.0090	0.000	1	119.2624	1.535	10	119.2624	1.535	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,2|C<3>,2|N<2>}	119.9240	0.262	3	119.2906	1.718	9	119.2624	1.535	10	119.2624	1.535	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{2|N<2>,3|C<3>}	119.9257	0.557	4	119.2906	1.718	9	119.2624	1.535	10	119.2624	1.535	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	117.0700	0.000	2	119.2906	1.718	9	119.2624	1.535	10	119.2624	1.535	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF){2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2{1|N<2>,6|C<3>}	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6]-3:C[6]-3:B[6]-4:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<3>,3|C<3>}	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	120.1615	0.502	33	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2{5|C<3>}	121.2790	0.000	1	121.2790	0.000	1	119.9432	0.935	4	120.1615	0.502	33	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	119.4980	0.462	3	119.4980	0.213	3	119.9432	0.935	4	120.1615	0.502	33	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|F<1>,4|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2{5|C<3>}	121.0035	0.531	2	121.0035	0.282	2	121.0035	0.282	2	120.1615	0.502	33	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|O<2>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	120.3415	0.138	2	120.3415	0.019	2	120.1119	0.443	26	120.1615	0.502	33	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H){1|O<2>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	119.3900	0.380	2	119.3900	0.145	2	120.1119	0.443	26	120.1615	0.502	33	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|H<1>,1|O<2>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	119.3757	0.265	6	119.3757	0.070	6	120.1119	0.443	26	120.1615	0.502	33	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	120.7040	0.243	2	120.7040	0.059	2	120.1119	0.443	26	120.1615	0.502	33	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,3|C<3>}	120.4131	0.564	14	120.4131	0.318	14	120.1119	0.443	26	120.1615	0.502	33	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	121.7820	0.004	2	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2{6|C<3>}	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	121.7820	0.004	2	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:2:	3:3:2:	3:3:1:1:	C[6,6]-3:B[6]-4:N[6]-2:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6])	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6]){1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	121.5670	0.000	1	121.5670	0.000	1	121.5670	0.000	1	121.5670	0.000	1	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:2:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	124.1738	0.452	5	124.1738	0.205	5	124.1738	0.205	5	122.9834	1.980	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:2:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl){2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	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>}	121.1970	0.000	1	121.1970	0.000	1	122.0867	0.370	4	122.9834	1.980	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:2:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	122.5130	0.000	1	122.5130	0.000	1	122.0867	0.370	4	122.9834	1.980	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:2:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	122.3185	0.168	2	122.3185	0.028	2	122.0867	0.370	4	122.9834	1.980	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:2:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	120.6180	0.000	1	120.6180	0.000	1	120.6180	0.000	1	122.9834	1.980	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:2:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	120.8890	0.704	2	120.8890	0.496	2	120.8890	0.496	2	120.2894	0.696	7	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:2:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	120.0496	0.818	5	120.0496	0.669	5	120.0496	0.669	5	120.2894	0.696	7	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	122.3120	0.000	1	122.3120	0.000	1	122.3120	0.000	1	120.5696	1.472	17	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	120.5140	0.410	2	120.5140	0.168	2	120.4608	1.355	16	120.5696	1.472	17	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	119.9837	0.901	6	119.9837	0.813	6	120.4608	1.355	16	120.5696	1.472	17	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	119.7670	0.000	1	119.7670	0.000	1	120.4608	1.355	16	120.5696	1.472	17	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	119.9963	1.111	4	119.9963	1.234	4	120.4608	1.355	16	120.5696	1.472	17	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	121.9030	0.000	1	122.2300	0.139	3	120.4608	1.355	16	120.5696	1.472	17	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	122.6370	0.000	1	122.2300	0.139	3	120.4608	1.355	16	120.5696	1.472	17	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,2|F<1>,2|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	122.1500	0.000	1	122.2300	0.139	3	120.4608	1.355	16	120.5696	1.472	17	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|C<4>,4|C<3>}	119.8340	0.000	1	119.8340	0.000	1	120.0418	0.461	5	119.8857	0.515	6	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	119.7210	0.000	1	119.7210	0.000	1	120.0418	0.461	5	119.8857	0.515	6	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	121.1170	0.000	1	120.2180	0.803	3	120.0418	0.461	5	119.8857	0.515	6	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	119.3250	0.000	1	120.2180	0.803	3	120.0418	0.461	5	119.8857	0.515	6	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	120.2120	0.000	1	120.2180	0.803	3	120.0418	0.461	5	119.8857	0.515	6	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:2:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O)	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F){1|C<4>,1|H<1>,3|C<3>}	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	119.8857	0.515	6	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2{1|H<1>,1|S<2>,5|C<3>}	122.6240	0.000	1	122.6240	0.000	1	122.6240	0.000	1	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C)	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,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[6,6]C[6,6]C[6])(F)2{1|C<4>,6|C<3>}	122.3440	0.000	1	122.3440	0.000	1	124.2145	6.998	2	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	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>}	126.0850	0.000	1	126.0850	0.000	1	124.2145	6.998	2	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	123.2885	0.125	2	122.6012	0.833	5	122.3589	1.916	9	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	123.2040	0.000	1	122.6012	0.833	5	122.3589	1.916	9	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	121.6125	0.231	2	122.6012	0.833	5	122.3589	1.916	9	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	119.3730	0.000	1	119.3730	0.000	1	122.3589	1.916	9	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	122.9503	0.933	3	122.9503	0.870	3	122.3589	1.916	9	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[5,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,6|C<3>}	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{7|C<3>}	121.0170	0.103	2	121.0170	0.011	2	121.0170	0.011	2	122.4114	2.365	15	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:2:2:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:3:2:	C[6,6]-3:B[6]-4:C[6]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6])	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|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>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6]){1|N<3>,5|H<1>,7|C<3>}	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:3:4:4:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2{1|H<1>,4|C<3>}	120.5600	0.000	1	120.5600	0.000	1	120.5600	0.000	1	120.5600	0.000	1	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:4:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:Br-1:Br-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2{1|H<1>,4|C<3>}	118.9610	0.000	1	118.9610	0.000	1	118.9610	0.000	1	119.3127	2.065	3	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:4:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:F-1:F-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2{1|H<1>,4|C<3>}	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	119.3127	2.065	3	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:4:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:I-1:I-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|I<1>,3|C<3>,3|H<1>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2{1|H<1>,4|C<3>}	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	119.3127	2.065	3	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,4|F<1>,8|C<3>}	117.6398	1.286	4	117.6398	1.655	4	119.4767	6.236	10	119.4767	6.236	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	121.7550	0.000	1	121.1740	0.790	3	119.4767	6.236	10	119.4767	6.236	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{2|F<1>,3|H<1>,8|C<3>}	120.1510	0.000	1	121.1740	0.790	3	119.4767	6.236	10	119.4767	6.236	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	121.6160	0.000	1	121.1740	0.790	3	119.4767	6.236	10	119.4767	6.236	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){1|N<2>,4|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	122.0420	0.000	1	122.0420	0.000	1	119.4767	6.236	10	119.4767	6.236	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:3:3:	3:4:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,1|N<3>,4|F<1>,7|C<3>}	119.3220	4.562	2	119.3220	20.814	2	119.4767	6.236	10	119.4767	6.236	10	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:4:3:	3:2:1:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<8>,1|C<3>,1|O<2>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:4:3:	3:2:4:4:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:O[6]-2:C-4:C-4:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	122.8180	0.731	4	122.6803	0.768	6	122.6803	0.768	6	122.6803	0.768	6	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:4:3:	3:2:4:4:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:O[6]-2:C-4:C-4:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|H<1>,2|C<4>,3|C<3>}	121.4030	0.000	1	122.6803	0.768	6	122.6803	0.768	6	122.6803	0.768	6	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	3:4:3:	3:4:3:	3:2:4:4:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:O[6]-2:C-4:C-4:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	123.4070	0.000	1	122.6803	0.768	6	122.6803	0.768	6	122.6803	0.768	6	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:2:3:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[5,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2{1|N<2>,1|O<1>,5|H<1>,8|C<3>}	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])2(F)2{2|H<1>,5|C<3>}	119.5325	0.670	4	119.5325	0.449	4	119.5325	0.449	4	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	124.6093	0.447	4	124.6093	0.199	4	124.0584	5.896	13	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	124.8490	0.000	1	124.4523	0.236	3	124.0584	5.896	13	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	124.2540	0.486	2	124.4523	0.236	3	124.0584	5.896	13	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	125.0225	1.022	2	125.2272	0.410	4	124.0584	5.896	13	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	125.3350	0.000	1	125.2272	0.410	4	124.0584	5.896	13	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	125.5290	0.000	1	125.2272	0.410	4	124.0584	5.896	13	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|N<3>,1|S<2>,4|C<3>}	116.2320	0.000	1	116.2320	0.000	1	124.0584	5.896	13	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|O<2>,1|S<2>,4|C<3>}	123.8240	0.000	1	123.8240	0.000	1	124.0584	5.896	13	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	124.5145	0.544	2	124.5145	0.296	2	124.5145	0.296	2	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	123.1530	1.164	4	123.1530	1.354	4	123.4134	1.693	9	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	123.0440	0.000	1	123.0440	0.000	1	123.4134	1.693	9	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	124.2940	0.171	2	123.7662	2.858	4	123.4134	1.693	9	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|F<1>,2|N<3>}	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	125.1660	0.000	1	123.7662	2.858	4	123.4134	1.693	9	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	121.3110	0.000	1	123.7662	2.858	4	123.4134	1.693	9	123.2371	5.672	28	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:F-1:	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(F)	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(F){1|N<3>,4|H<1>,6|C<3>}	123.9700	0.000	1	123.9700	0.000	1	123.9700	0.000	1	123.9700	0.000	1	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){5|H<1>,8|C<3>}	118.2545	0.346	2	118.2545	0.120	2	118.1691	0.756	9	118.1691	0.756	9	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,5|H<1>,7|C<3>}	117.1460	0.000	1	117.1460	0.000	1	118.1691	0.756	9	118.1691	0.756	9	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){5|H<1>,8|C<3>}	117.5000	0.000	1	117.5000	0.000	1	118.1691	0.756	9	118.1691	0.756	9	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H){2|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|N<2>,5|H<1>,7|C<3>}	118.4734	0.994	5	118.4734	0.989	5	118.1691	0.756	9	118.1691	0.756	9	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,5|H<1>,7|C<3>}	118.7810	0.000	1	118.5247	0.049	3	118.5247	0.049	3	119.4110	1.700	5	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){5|H<1>,8|C<3>}	118.3965	0.005	2	118.5247	0.049	3	118.5247	0.049	3	119.4110	1.700	5	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,8|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,6|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1	119.4110	1.700	5	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,7|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	119.4110	1.700	5	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:4:3:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,4|H<1>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|C<3>,7|H<1>}	122.2385	0.573	2	122.0197	0.308	3	122.0197	0.308	3	122.0197	0.308	3	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6,6]	B[6]	4:3:3:	3:4:3:	3:3:3:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	121.5820	0.000	1	122.0197	0.308	3	122.0197	0.308	3	122.0197	0.308	3	121.0151	4.482	177	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6]	B[6,6]	4:3:4:	3:3:1:	3:2:2:2:	B[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H)	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC){1|C<4>,2|C<3>,5|H<1>}	122.5620	0.000	1	122.5620	0.000	1	122.5620	0.000	1	122.5620	0.000	1	122.5620	0.000	1	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,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>}	117.7222	0.197	5	117.7157	0.047	8	117.7157	0.047	8	117.7157	0.047	8	117.7157	0.047	8	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,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|H<1>,5|C<3>}	117.7775	0.378	2	117.7157	0.047	8	117.7157	0.047	8	117.7157	0.047	8	117.7157	0.047	8	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6,6]	C[6]	B[6]	3:4:3:	3:3:1:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,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>,2|H<1>,4|C<3>}	117.5600	0.000	1	117.7157	0.047	8	117.7157	0.047	8	117.7157	0.047	8	117.7157	0.047	8	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6,6]	B[6]	3:4:1:	3:3:2:	3:3:1:1:	C[6,6]-3:B[6]-4:H-1:	C[6,6]-3:N[6]-3:O[6]-2:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H)	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6])	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H){1|B<4>,1|N<2>,2|C<3>}	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6]){1|S<2>,2|N<3>,4|F<1>}	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2{1|O<2>,3|C<3>}	126.6685	0.639	2	126.6685	0.408	2	126.6685	0.408	2	126.6685	0.408	2	127.5107	2.332	3	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6,6]	B[6]	3:4:3:	4:3:2:	3:3:3:4:	C[6,6]-3:B[6]-4:C[6a]-3:	P[6,6]-4:N[6]-3:S[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6])	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2){1|B<4>,2|C<4>,4|H<1>,7|C<3>}	C[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6]){2|C<4>,4|H<1>,8|C<3>}	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,1|S<2>,2|H<1>,4|F<1>,6|C<3>}	129.1950	0.000	1	129.1950	0.000	1	129.1950	0.000	1	129.1950	0.000	1	127.5107	2.332	3	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[3x6]	4:3:3:	3:3:1:	3:4:4:2:	B[3x6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H)	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a])	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>,6|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	117.6581	1.397	7	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[3x6]	4:3:4:	3:3:1:	4:4:2:3:	B[3x6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H[6]-2:N[6]-3:	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH)	C[6](N[6]B[3x6]C)2(H)	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C)	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH){1|B<4>,2|H<1>,5|C<4>}	C[6](N[6]B[3x6]C)2(H){1|H<2>,4|C<4>}	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C){1|N<3>,2|C<4>,9|H<1>}	117.1770	0.215	2	117.1770	0.046	2	117.1770	0.046	2	117.1770	0.046	2	117.6581	1.397	7	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[3x6]	4:3:4:	3:3:1:	4:4:3:2:	B[3x6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){1|C<3>,2|H<1>,5|C<4>}	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,9|H<1>}	117.2120	2.141	2	117.9395	2.509	4	117.9395	2.509	4	117.9395	2.509	4	117.6581	1.397	7	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[3x6]	4:3:4:	3:3:1:	4:4:3:2:	B[3x6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){2|H<1>,6|C<4>}	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){11|H<1>,1|N<3>,2|C<4>}	118.6670	0.909	2	117.9395	2.509	4	117.9395	2.509	4	117.9395	2.509	4	117.6581	1.397	7	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	3:4:4:	3:3:1:	2:2:3:2:	C[6]-3:B[6,6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6,6]C)(H)	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH){1|B<3>,1|B<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6,6]C)(H){1|H<1>,2|C<3>,3|O<2>}	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	121.2950	1.379	2	121.2950	1.901	2	121.2950	1.901	2	121.2950	1.901	2	120.8980	4.921	6	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	4:3:1:	3:3:2:	3:3:3:3:	B[6,6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6])	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6]){2|H<1>,2|N<3>,4|C<3>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|H<1>,2|N<2>,6|C<3>}	120.2550	4.630	2	120.2550	21.438	2	120.2550	21.438	2	120.2550	21.438	2	120.8980	4.921	6	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6,6]	4:3:1:	3:4:2:	3:3:3:3:	B[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:N[6]-2:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H)	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6])	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6]){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|C<4>,2|H<1>,2|N<2>,4|C<3>}	121.1440	0.064	2	121.1440	0.004	2	121.1440	0.004	2	121.1440	0.004	2	120.8980	4.921	6	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H){2|F<1>,2|O<2>,4|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	120.1172	1.708	4	120.1172	2.917	4	120.3484	1.138	20	120.4831	1.122	23	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	119.9299	0.502	9	119.9299	0.252	9	120.3484	1.138	20	120.4831	1.122	23	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	121.3618	0.537	4	121.0187	0.987	7	120.3484	1.138	20	120.4831	1.122	23	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|S<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	122.1720	0.000	1	121.0187	0.987	7	120.3484	1.138	20	120.4831	1.122	23	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	119.7560	0.257	2	121.0187	0.987	7	120.3484	1.138	20	120.4831	1.122	23	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6a]-3:C[6]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	121.2040	0.314	2	121.2040	0.099	2	121.3810	0.143	3	120.4831	1.122	23	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6a]-3:C[6]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	121.7350	0.000	1	121.7350	0.000	1	121.3810	0.143	3	120.4831	1.122	23	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:2:2:	C[6]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:O-2:O-2:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,3|O<2>,4|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2{1|H<1>,4|C<3>}	122.2180	0.000	1	122.2180	0.000	1	122.2180	0.000	1	122.2180	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:3:1:	C[6]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:C-3:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|F<1>,1|O<2>,6|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	119.9880	0.000	1	119.9880	0.000	1	119.9880	0.000	1	119.9880	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:1:	3:2:4:4:	C[6]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:C-4:C-4:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])2(F)2{1|C<4>,6|C<3>}	122.6210	0.000	1	122.6819	0.620	13	122.6819	0.620	13	122.6819	0.620	13	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[6]C[6a]C[6])2(F)2{7|C<3>}	122.6870	0.822	12	122.6819	0.620	13	122.6819	0.620	13	122.6819	0.620	13	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:1:	3:3:2:	3:3:1:1:	C[6]-3:B[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H)	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6])	B[6](N[6]C[6]H)2(F)2	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[6]C[6]H)2(F)2{1|N<2>,2|C<3>}	124.4150	0.030	2	124.4150	0.001	2	124.4150	0.001	2	124.4150	0.001	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]B[6]H)	B[6](N[6]C[6]H)2(F)2	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]B[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[6]C[6]H)2(F)2{1|N<3>,2|C<3>}	123.0485	0.383	2	123.0485	0.146	2	123.0480	0.057	4	123.0480	0.057	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]B[6]H)	B[6](N[6]C[6]H)2(F)2	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]B[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[6]C[6]H)2(F)2{1|N<3>,2|C<3>}	123.0475	0.156	2	123.0475	0.024	2	123.0480	0.057	4	123.0480	0.057	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:1:	3:3:3:	3:3:4:4:	C[6]-3:B[6]-4:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2{1|H<1>,4|C<3>}	123.9980	0.000	1	123.9980	0.000	1	123.9980	0.000	1	123.9980	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:2:	3:3:1:	2:3:1:1:	C[6]-3:B[6]-4:N-2:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H)	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2{1|H<1>,2|C<3>}	121.5500	0.000	1	121.5500	0.000	1	121.4315	0.028	2	121.4315	0.028	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:2:	3:3:1:	2:3:1:1:	C[6]-3:B[6]-4:N-2:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H)	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H){1|O<2>,2|F<1>,3|C<3>}	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2{1|H<1>,2|C<3>}	121.3130	0.000	1	121.3130	0.000	1	121.4315	0.028	2	121.4315	0.028	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6a]-3:B[6]-4:C[6]-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	119.9450	0.000	1	119.9450	0.000	1	119.9450	0.000	1	119.3000	0.832	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:1:	3:2:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(H)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(H){1|O<2>,2|F<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	119.3000	0.832	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:2:	3:2:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6]-3:S-2:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S){3|C<3>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC){1|O<2>,2|F<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	121.0390	0.000	1	121.0390	0.000	1	121.0390	0.000	1	121.0390	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6])	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2{1|N<2>,6|C<3>}	123.5160	0.000	1	123.5160	0.000	1	123.5160	0.000	1	123.5160	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6](C[6]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6](C[6]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,6|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	124.3085	1.122	2	124.3085	1.259	2	124.3085	1.259	2	122.8386	6.093	12	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,7|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	121.9300	1.216	3	121.9300	1.479	3	121.9300	1.479	3	122.8386	6.093	12	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	122.9510	1.032	2	123.9168	0.873	6	123.9168	0.873	6	122.8386	6.093	12	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	124.3997	0.408	4	123.9168	0.873	6	123.9168	0.873	6	122.8386	6.093	12	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	116.1550	0.000	1	116.1550	0.000	1	116.1550	0.000	1	122.8386	6.093	12	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6]C[6a]C[6])2(F)2{2|C<4>,5|C<3>}	121.7550	0.059	2	121.7550	0.004	2	122.4994	1.611	5	121.3309	5.062	7	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6]C[6a]C[6])2(F)2{2|C<4>,5|C<3>}	122.1690	0.703	2	122.9957	2.297	3	122.4994	1.611	5	121.3309	5.062	7	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){3|H<1>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|N<3>,2|F<1>,3|C<3>}	B[6](N[6]C[6a]C[6])2(F)2{1|C<4>,6|C<3>}	124.6490	0.000	1	122.9957	2.297	3	122.4994	1.611	5	121.3309	5.062	7	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:I-1:I-1:	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	B[6](N[6]C[6a]C[6])2(I)2	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	B[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	118.4095	0.183	2	118.4095	0.034	2	118.4095	0.034	2	121.3309	5.062	7	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:4:	3:3:2:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-2:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	B[6](N[6]C[6a]C[6])2(OC)(F)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	B[6](N[6]C[6a]C[6])2(OC)(F){2|C<4>,5|C<3>}	118.1855	1.019	2	118.1855	1.038	2	119.6598	3.246	4	119.6598	3.246	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:3:	3:3:4:	3:3:2:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-2:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	B[6](N[6]C[6a]C[6])2(OC[6a])(F)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	B[6](N[6]C[6a]C[6])2(OC[6a])(F){2|C<4>,5|C<3>}	121.1340	0.076	2	121.1340	0.006	2	119.6598	3.246	4	119.6598	3.246	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:4:	3:3:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	120.8774	0.664	8	120.8774	0.441	8	121.1828	0.489	12	121.2232	0.456	14	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:4:	3:3:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	121.7560	0.153	2	121.7560	0.023	2	121.1828	0.489	12	121.2232	0.456	14	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:4:	3:3:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	121.7230	0.000	1	121.7230	0.000	1	121.1828	0.489	12	121.2232	0.456	14	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:4:	3:3:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	121.9400	0.000	1	121.9400	0.000	1	121.1828	0.489	12	121.2232	0.456	14	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:4:	3:3:1:	2:3:1:1:	C[6]-3:B[6]-4:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H)	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2{2|C<3>,2|C<4>,2|H<1>}	121.4655	0.647	2	121.4655	0.419	2	121.4655	0.419	2	121.2232	0.456	14	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:4:	3:3:1:	2:3:2:2:	C[6]-3:B[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:O-2:O-2:	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|C<3>,3|O<2>}	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2{1|H<1>,2|C<3>}	121.5590	0.000	1	121.5590	0.000	1	121.5590	0.000	1	121.5590	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:4:	3:3:1:	3:2:1:1:	C[6]-3:C[5]-4:B[6]-4:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[5]C[5]2Fe)(B[6]O[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[5])(H)	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[5]C[5]2Fe)(B[6]O[6]FF){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[5])(H){1|Fe<10>,1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	3:4:4:	4:3:4:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	C[4,6]-4:N[6]-3:C-4:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3)	C[6](C[4,6]C[4,6]2H)(N[6]B[6]C)(CH3)	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3){1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]2H)(N[6]B[6]C)(CH3){1|C<4>,2|C<3>,2|F<1>,2|O<2>}	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2{1|C<3>,3|C<4>}	122.4303	0.940	3	122.4303	0.884	3	122.4303	0.884	3	122.4303	0.884	3	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:1:	3:3:2:	3:3:3:3:	B[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6])	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H){8|C<3>}	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<2>,4|H<1>,8|C<3>}	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:1:	3:3:3:	3:3:3:3:	B[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H){1|H<1>,8|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){5|H<1>,8|C<3>}	122.5890	0.619	2	122.5890	0.384	2	122.5890	0.384	2	124.1227	7.248	3	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:1:	3:3:3:	3:3:3:3:	B[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H)	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H)	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H){1|P<3>,1|P<4>,5|C<3>}	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H){1|N<3>,4|C<3>}	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<3>,4|F<1>,9|C<3>}	127.1900	0.000	1	127.1900	0.000	1	127.1900	0.000	1	124.1227	7.248	3	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:1:	3:3:4:	3:3:3:3:	B[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H){1|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3){1|N<3>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,5|H<1>,7|C<3>}	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	123.6480	3.470	3	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:1:	3:3:4:	3:3:3:3:	B[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3)	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H){1|N<2>,6|C<3>}	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3){1|N<3>,2|C<3>}	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,4|H<1>,7|C<3>}	124.6845	0.702	2	124.6845	0.493	2	124.6845	0.493	2	123.6480	3.470	3	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|H<1>,4|F<1>,8|C<3>}	118.1460	0.000	1	118.5482	4.522	5	118.5482	4.522	5	121.5192	7.925	13	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	118.6488	2.442	4	118.5482	4.522	5	118.5482	4.522	5	121.5192	7.925	13	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O)	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,7|C<3>}	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,7|C<3>}	123.4820	0.882	7	123.4820	0.778	7	123.3760	0.757	8	121.5192	7.925	13	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O)	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,8|C<3>}	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O){1|O<2>,7|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,7|C<3>}	122.6340	0.000	1	122.6340	0.000	1	123.3760	0.757	8	121.5192	7.925	13	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:2:	3:3:3:3:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<2>,4|H<1>,8|C<3>}	116.1320	0.000	1	116.1320	0.000	1	116.1320	0.000	1	115.4463	0.670	7	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:2:	3:3:3:3:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|C<4>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	115.6410	0.000	1	115.3320	0.694	6	115.3320	0.694	6	115.4463	0.670	7	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:2:	3:3:3:3:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	115.2702	0.916	5	115.3320	0.694	6	115.3320	0.694	6	115.4463	0.670	7	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:4:	3:3:1:1:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:Br-1:Br-1:	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	B[6](N[6]C[6a]C[6])2(Br)2	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	B[6](N[6]C[6a]C[6])2(Br)2{2|C<4>,5|C<3>}	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	119.5602	19.549	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:4:	3:3:1:1:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	B[6](N[6]C[6a]C[6])2(Cl)2	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	B[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	115.8105	1.542	2	115.8105	2.378	2	118.3477	20.501	3	119.5602	19.549	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:4:	3:3:1:1:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	B[6](N[6]C[6a]C[6])2(Cl)2	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	B[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	123.4220	0.000	1	123.4220	0.000	1	118.3477	20.501	3	119.5602	19.549	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:4:	3:3:3:2:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3)	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,7|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,4|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6]){2|C<4>,4|H<1>,7|C<3>}	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:4:	3:3:3:3:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,9|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	114.4460	0.000	1	114.2250	0.098	2	114.2250	0.098	2	114.2250	0.098	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:3:	3:3:4:	3:3:3:3:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,9|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	114.0040	0.000	1	114.2250	0.098	2	114.2250	0.098	2	114.2250	0.098	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|F<1>,2|H<1>,4|C<3>}	122.1675	0.704	2	122.4260	0.442	4	122.2114	0.562	5	122.2114	0.562	5	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){3|H<1>,4|C<3>}	122.6845	0.752	2	122.4260	0.442	4	122.2114	0.562	5	122.2114	0.562	5	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	121.3530	0.000	1	121.3530	0.000	1	122.2114	0.562	5	122.2114	0.562	5	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:3:2:3:	B[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:N[6]-3:	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]C)(H)	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C)	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]C)(H){1|O<2>,5|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C){5|H<1>,6|C<3>}	118.6360	0.000	1	118.6360	0.000	1	118.6360	0.000	1	118.6360	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:3:3:1:	B[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:F-1:	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH)	C[6](N[6]C[6,6a]C)(N[6]B[6]C)(H)	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F)	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(N[6]B[6]C)(H){1|F<1>,3|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F){1|H<1>,1|N<3>,3|F<1>,4|C<3>}	123.5020	0.503	4	123.5020	0.253	4	123.5020	0.253	4	123.5020	0.253	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-2:	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(N[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){1|C<4>,5|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(N[6]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>,4|F<1>}	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	123.1703	12.009	6	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3){2|C<4>,4|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,2|H<1>,4|F<1>,5|C<3>}	118.0530	0.000	1	118.0530	0.000	1	118.0530	0.000	1	123.1703	12.009	6	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH)	C[6](N[6]B[6]C)(N[6]C[6]2)(O)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,5|C<3>}	126.5770	0.134	2	126.5770	0.018	2	125.1942	2.868	4	123.1703	12.009	6	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH)	C[6](N[6]B[6]C)(N[6]C[6]2)(O)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,5|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,5|C<3>}	123.8115	0.968	2	123.8115	0.937	2	125.1942	2.868	4	123.1703	12.009	6	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	3:3:3:3:	B[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){2|C<4>,5|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|N<2>,1|N<3>,2|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>,4|F<1>}	120.8420	0.000	1	120.8420	0.000	1	120.8420	0.000	1	120.8420	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	4:2:3:1:	B[6]-4:C[6]-3:C-4:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	122.4155	0.054	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:1:	4:2:3:1:	B[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	122.4155	0.054	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:2:	3:3:3:3:	B[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(NC)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH){2|C<4>,5|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]C)(NC){1|H<1>,1|N<3>,2|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>,4|F<1>}	125.0270	0.000	1	125.0270	0.000	1	125.0270	0.000	1	125.0270	0.000	1	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:4:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3){1|H<1>,2|O<2>,3|C<3>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB){1|C<4>,2|H<1>,4|C<3>}	124.7750	0.362	2	124.7750	0.131	2	123.9853	0.878	4	123.9853	0.878	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:4:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3){1|H<1>,2|O<2>,3|C<3>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	123.1955	0.081	2	123.1955	0.007	2	123.9853	0.878	4	123.9853	0.878	4	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:4:	3:3:1:1:	B[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:F-1:F-1:	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH)	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3)	B[6](N[6]C[6]C)2(F)2	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3){1|C<4>,1|N<3>,2|F<1>}	B[6](N[6]C[6]C)2(F)2{1|C<3>,2|C<4>}	120.2530	0.000	1	120.2530	0.000	1	121.5920	3.586	2	121.5920	3.586	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:4:	3:3:1:1:	B[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:F-1:F-1:	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3)	B[6](N[6]C[6]C)2(F)2	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3){1|C<4>,1|N<3>,2|F<1>}	B[6](N[6]C[6]C)2(F)2{1|C<3>,2|C<4>}	122.9310	0.000	1	122.9310	0.000	1	121.5920	3.586	2	121.5920	3.586	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:4:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){2|C<4>,4|H<1>,5|C<3>}	119.5360	0.245	2	119.2247	0.321	3	119.2247	0.321	3	119.2247	0.321	3	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:3:4:	3:3:4:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|O<2>,3|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,4|H<1>,6|C<3>}	118.6020	0.000	1	119.2247	0.321	3	119.2247	0.321	3	119.2247	0.321	3	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:4:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O)	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){3|C<4>,4|H<1>,5|C<3>}	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|F<1>,5|C<3>}	124.4310	0.000	1	124.4310	0.000	1	123.9100	0.543	2	123.9100	0.543	2	121.4094	6.648	160	120.9637	6.342	393
856	762	874	6:SP2_SP2_SP3	N[6]	C[6]	B[6]	4:4:3:	3:3:1:	3:3:3:2:	B[6]-4:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O)	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){2|C<4>,4|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|F<1>,5|C<3>}	123.3890	0.000	1	123.3890	0.000	1	123.9100	0.543	2	123.9100	0.543	2	121.4094	6.648	160	120.9637	6.342	393
856	762	878	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[4,4,6]	4:3:3:	3:3:4:	3:3:3:3:	Ga[4,4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:P[4x4]-3:P[4x4]-3:	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3)	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2{1|Ga<4>,2|C<4>,5|C<3>}	124.0727	0.390	8	124.0727	0.152	8	124.0727	0.152	8	124.0727	0.152	8	124.0727	0.152	8	123.3211	1.209	13
856	762	878	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[4,6]	4:3:3:	3:3:3:	4:3:3:4:	Ga[4,6]-4:C[6]-3:C[6a]-3:	N[4,6]-3:N[6]-3:C[6a]-3:	N[4,6,6]-4:N[4,6]-3:N[6]-3:C-4:	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2)	C[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2)	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3)	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|H<1>,6|C<3>}	C[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|N<4>,3|C<4>,4|C<3>}	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3){2|C<4>,2|N<3>,2|N<4>,6|C<3>}	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	122.1184	0.423	5	123.3211	1.209	13
856	762	878	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[4,6]	4:3:3:	3:3:4:	3:3:2:2:	Ga[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:As[4]-2:As[4]-2:	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|As<3>,1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){2|As<2>,1|C<4>,1|N<3>,2|C<3>}	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2{1|Ga<4>,2|C<4>,5|C<3>}	122.7660	0.209	2	122.7660	0.044	2	122.7660	0.044	2	122.3140	0.309	4	122.1184	0.423	5	123.3211	1.209	13
856	762	878	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[4,6]	4:3:3:	3:3:4:	3:3:2:2:	Ga[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S[4]-2:S[4]-2:	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ga<4>,1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2{2|C<4>,2|N<3>,5|C<3>}	121.8620	0.259	2	121.8620	0.067	2	121.8620	0.067	2	122.3140	0.309	4	122.1184	0.423	5	123.3211	1.209	13
856	762	880	0:SP2_SP2_SP3	N[6]	C[6,6]	Si	3:4:4:	3:3:2:	3:4:4:4:	C[6,6]-3:C[6]-4:Si-4:	N[6,6]-3:N[6]-3:N[6]-2:	N[6]-3:C-4:C-4:C-4:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6])	Si(N[6]C[6,6]C[6])(CSi2H)(CH3)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3){2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6]){2|C<4>,8|H<1>}	Si(N[6]C[6,6]C[6])(CSi2H)(CH3)2	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	121.8438	33.463	4	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6,6]	Si	3:4:4:	3:3:3:	3:3:4:4:	C[6,6]-3:C[6]-4:Si-4:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:N[6]-3:C-4:C-4:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiN[6]CC)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)2	Si(N[6]C[6,6]C[6])2(CH3)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiN[6]CC){1|Si<4>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)2{2|C<4>,8|H<1>}	Si(N[6]C[6,6]C[6])2(CH3)2	122.6470	2.082	2	122.6470	4.334	2	122.6470	4.334	2	122.6470	4.334	2	121.8438	33.463	4	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6,6]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6,6]-3:C[6]-4:Si-4:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si)	Si(N[6]C[6,6]C[6])(CH3)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3){1|Cu<2>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si){2|C<4>,8|H<1>}	Si(N[6]C[6,6]C[6])(CH3)3	127.8770	0.000	1	127.8770	0.000	1	127.8770	0.000	1	127.8770	0.000	1	121.8438	33.463	4	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C-4:Br-1:H-1:	N[6](C[6]C[6]H)2(SiBrCH)	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	Si(N[6]C[6]2)(CCHH)(Br)(H)	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	Si(N[6]C[6]2)(CCHH)(Br)(H)	113.9380	0.000	1	113.9380	0.000	1	120.8510	36.048	4	120.8510	36.048	4	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C-4:Br-1:H-1:	N[6](C[6]C[6]H)2(SiBrCH)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)(CCHH)(Br)(H)	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Si(N[6]C[6]2)(CCHH)(Br)(H)	127.4280	0.000	1	127.4280	0.000	1	120.8510	36.048	4	120.8510	36.048	4	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C-4:Br-1:H-1:	N[6](C[6]C[6]H)2(SiBrCH)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)(CH3)(Br)(H)	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Si(N[6]C[6]2)(CH3)(Br)(H)	121.0190	4.128	2	121.0190	17.041	2	120.8510	36.048	4	120.8510	36.048	4	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:1:	3:4:4:2:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Si-4:Si-4:N-2:	N[6](C[6]C[6]H)2(SiSi2N)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)(SiSi3)(SiC3)(NSi)	N[6](C[6]C[6]H)2(SiSi2N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Si(N[6]C[6]2)(SiSi3)(SiC3)(NSi)	121.5595	3.109	2	121.5595	9.667	2	121.5595	9.667	2	121.5595	9.667	2	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:1:	3:4:4:4:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]H)2(SiC3)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)(CH3)3	N[6](C[6]C[6]H)2(SiC3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Si(N[6]C[6]2)(CH3)3	120.2885	2.538	2	120.2885	6.440	2	120.2885	6.440	2	120.2885	6.440	2	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6]-3:Ge[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	129.0320	0.000	1	126.1880	16.177	2	125.4958	11.600	5	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6]-3:Ge[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	123.3440	0.000	1	126.1880	16.177	2	125.4958	11.600	5	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6]-3:Ge[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]N)(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]N)(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){2|H<1>,2|N<3>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	122.8900	1.018	2	122.8900	1.037	2	125.4958	11.600	5	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6]-3:Ge[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]W)(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]W)(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|N<3>,1|W<9>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	129.3230	0.000	1	129.3230	0.000	1	125.4958	11.600	5	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6,6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:C[6a]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6,6]N[6,6,6a]N[6])(C[6]C[6a]C[6])(SiC3)	C[6](N[6]Ge[6,6]Si)(C[6]C[6,6a]H)(C[6a]C[6a]2)	Si(N[6]Ge[6,6]C[6])(CH3)3	N[6](Ge[6,6]N[6,6,6a]N[6])(C[6]C[6a]C[6])(SiC3){1|Si<4>,1|H<1>,5|C<3>}	C[6](N[6]Ge[6,6]Si)(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<3>,3|C<3>}	Si(N[6]Ge[6,6]C[6])(CH3)3	123.6545	2.855	2	123.6545	8.149	2	123.6545	8.149	2	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]C[5])(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]C[5])(C[6]C[6a]C[6])(SiC3){1|Si<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	127.3300	0.000	1	127.3300	0.000	1	126.2644	8.474	8	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3){1|Si<4>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	127.4275	0.132	2	127.4275	0.017	2	126.2644	8.474	8	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]Mo)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]Mo)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Mo<9>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	121.8210	0.000	1	121.8210	0.000	1	126.2644	8.474	8	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]Se)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]Se)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Se<2>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	125.5180	5.257	2	125.5180	27.632	2	126.2644	8.474	8	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]Te)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]Te)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Te<2>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	127.5365	1.933	2	127.5365	3.735	2	126.2644	8.474	8	125.6602	8.926	15	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	4:3:3:	3:3:1:	3:3:3:3:	Si-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	N[6](SiC[6a]2C)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(C[6a]C[6a]2)2(N[6]C[6]2)(CSiC)	N[6](SiC[6a]2C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Si(C[6a]C[6a]2)2(N[6]C[6]2)(CSiC)	121.5755	0.718	2	121.5755	0.515	2	121.5755	0.515	2	121.5755	0.515	2	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	4:3:4:	3:3:1:	3:3:4:4:	C[6]-4:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:N-3:C-4:C-4:	N[6](C[6]C[6]FeH)(C[6]C[6]H)(SiCCN)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)(NC[6a]2)(CH3)2	N[6](C[6]C[6]FeH)(C[6]C[6]H)(SiCCN){1|C<4>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|Fe<9>,1|C<4>,2|H<1>}	Si(N[6]C[6]2)(NC[6a]2)(CH3)2	125.0250	0.000	3	125.0250	0.000	3	125.0250	0.000	3	125.0250	0.000	3	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	4:3:4:	3:3:3:	3:4:4:4:	Ge[6]-4:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6]BH)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6]BH)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	Si(N[6]Ge[6]C[6])(CH3)3	126.8390	0.000	1	126.8390	0.000	1	123.8160	10.671	4	123.8160	10.671	4	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	4:3:4:	3:3:3:	3:4:4:4:	Ge[6]-4:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6]ClB)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6]ClB)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Cl<1>,1|B<4>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	122.7740	0.000	1	122.7740	0.000	1	123.8160	10.671	4	123.8160	10.671	4	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	4:3:4:	3:3:3:	3:4:4:4:	Ge[6]-4:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6]ClCu)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6]ClCu)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Cl<1>,1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	125.9740	0.000	1	125.9740	0.000	1	123.8160	10.671	4	123.8160	10.671	4	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	4:3:4:	3:3:3:	3:4:4:4:	Ge[6]-4:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6]Ge[6]Fe)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6]Ge[6]Fe)(C[6]C[6a]C[6])(SiC3){1|Si<4>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Fe<5>,1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	119.6770	0.000	1	119.6770	0.000	1	123.8160	10.671	4	123.8160	10.671	4	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP2_SP2_SP3	N[6]	C[6]	Si	4:3:4:	4:3:1:	3:4:4:4:	C[6]-4:C[6]-3:Si-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:C-4:C-4:	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3)	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O)	Si(N[6]C[6]2)(CH3)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O){1|Si<4>,1|C<3>,2|H<1>}	Si(N[6]C[6]2)(CH3)3	118.5417	1.215	3	118.5417	1.477	3	118.5417	1.477	3	118.5417	1.477	3	123.4605	14.689	35	123.2947	16.031	39
856	762	880	0:SP3_SP2_SP3	N[6]	C[6]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6]-3:C[6]-3:Si-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	Si(N[6]Ge[6]C[6])(CH3)3	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3){1|Fe<5>,1|Si<4>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Ge<4>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6]Ge[6]C[6])(CH3)3	118.7740	0.000	1	118.7740	0.000	1	118.7740	0.000	1	118.7740	0.000	1	118.7740	0.000	1	118.7740	0.000	1
856	762	881	6:SP2_SP2_SPD5	N[6]	C[6]	Si[3,6]	5:3:3:	3:3:3:	3:3:3:2:2:	Si[3,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:N[6]-3:C[5]-3:O[3]-2:O[3]-2:	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH)	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2{3|C<4>,8|C<3>}	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	124.9825	4.127	2	124.9825	4.127	2
856	762	881	6:SP2_SP2_SPD5	N[6]	C[6]	Si[3,6]	5:3:3:	3:3:4:	3:3:3:2:2:	Si[3,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:C[5]-3:O[3]-2:O[3]-2:	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3)	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|O<2>,4|C<3>}	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2{3|C<4>,8|C<3>}	123.5460	0.000	1	123.5460	0.000	1	123.5460	0.000	1	123.5460	0.000	1	124.9825	4.127	2	124.9825	4.127	2
856	762	882	0:SP2_SP2_SP3	N[6]	C[6]	P[4]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:P[4]-3:	N[6]-3:C[6]-3:H-1:	N[4]-3:N[4]-3:N[6]-3:	N[6](C[6]C[6]H)2(P[4]N[4]2)	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H)	P[4](N[4]C[6a]P[4])2(N[6]C[6]2)	N[6](C[6]C[6]H)2(P[4]N[4]2){1|P<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	P[4](N[4]C[6a]P[4])2(N[6]C[6]2){1|N<3>,2|H<1>,6|C<3>}	121.5623	6.660	4	121.5623	44.351	4	121.5623	44.351	4	121.5623	44.351	4	121.5623	44.351	4	121.5623	44.351	4
856	762	882	6:SP2_SP2_SP3	N[6,6]	C[6,6]	P[4,6,6]	3:3:3:	3:3:1:	3:3:3:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:H-1:	N[4,6]-3:N[4,6]-3:N[6,6]-3:	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]P[4,6,6]C[6a])2(H)	P[4,6,6](N[4,6]P[4,6,6]C[6a])2(N[6,6]C[6,6]C[6a])	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2){1|P<3>,2|C<4>,5|C<3>}	C[6,6](N[6,6]P[4,6,6]C[6a])2(H){2|N<3>,4|C<3>}	P[4,6,6](N[4,6]P[4,6,6]C[6a])2(N[6,6]C[6,6]C[6a]){1|H<1>,1|N<3>,6|C<3>}	121.9585	1.076	2	121.9585	1.157	2	121.9585	1.157	2	121.5565	0.314	8	121.5565	0.314	8	121.5565	0.314	8
856	762	882	6:SP2_SP2_SP3	N[6,6]	C[6,6]	P[4,6,6]	3:3:3:	3:3:1:	3:3:3:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:N[4,6]-3:N[4,6]-3:	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]P[4,6,6]C[6a])2(H)	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	C[6,6](N[6,6]P[4,6,6]C[6a])2(H){2|N<3>,4|C<3>}	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2{1|H<1>,1|N<3>,2|C<3>}	121.4225	0.349	6	121.4225	0.122	6	121.4225	0.122	6	121.5565	0.314	8	121.5565	0.314	8	121.5565	0.314	8
856	762	885	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[5]	4:3:3:	3:3:1:	3:3:3:1:	Ga[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:N[6]-3:I-1:	N[6](Ga[5]N[5]2I)(C[6]C[6]H)2	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(I)	N[6](Ga[5]N[5]2I)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|H<1>,2|N<3>}	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(I){2|H<1>,8|C<3>}	120.3215	6.930	2	120.3215	48.030	2	120.3215	48.030	2	120.3215	48.030	2	121.1821	16.508	9	121.1821	16.508	9
856	762	885	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[5]	4:3:3:	3:3:1:	3:3:3:2:	Ga[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:N[6]-3:P-2:	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PC)	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PC){2|H<1>,8|C<3>}	120.3770	5.776	2	120.3770	33.358	2	120.5962	10.614	6	120.5962	10.614	6	121.1821	16.508	9	121.1821	16.508	9
856	762	885	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[5]	4:3:3:	3:3:1:	3:3:3:2:	Ga[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:N[6]-3:P-2:	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP)	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	Ga[5](N[5]C[5,5]C[6a])2(N[6]C[6]2)(PP){2|H<1>,8|C<3>}	120.7057	2.554	4	120.7057	6.523	4	120.5962	10.614	6	120.5962	10.614	6	121.1821	16.508	9	121.1821	16.508	9
856	762	885	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[5]	4:4:3:	3:3:4:	3:3:3:3:	Ga[5]-4:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:C-4:	N[5]-3:N[5]-3:N[6]-3:P-3:	N[6](Ga[5]N[5]2P)(C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]Ga[5]C[6])(N[6]C[6]C)(CCHH)	Ga[5](N[5]C[6a]C[5])2(N[6]C[6]2)(PC[6a]H)	N[6](Ga[5]N[5]2P)(C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]Ga[5]C[6])(N[6]C[6]C)(CCHH){1|C<4>,1|P<3>,2|N<3>,4|H<1>}	Ga[5](N[5]C[6a]C[5])2(N[6]C[6]2)(PC[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	121.1821	16.508	9	121.1821	16.508	9
856	762	885	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[5,5,6]	4:3:3:	3:3:4:	3:3:3:3:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	P[3,5,5]-3:N[6]-3:N[6]-3:P[3x5]-3:	N[6](Ga[5,5,6]P[3,5,5]P[3x5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2)	N[6](Ga[5,5,6]P[3,5,5]P[3x5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>,4|P<3>}	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2){1|Ga<4>,3|C<4>,5|C<3>}	120.9942	0.553	4	120.9942	0.306	4	120.9942	0.306	4	121.5394	0.530	8	121.5394	0.530	8	120.6992	5.741	16
856	762	885	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[5,5,6]	4:3:3:	3:3:4:	3:3:3:3:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	P[3,5,5]-3:P[3x5,6]-3:N[6]-3:N[6]-3:	N[6](Ga[5,5,6]P[3,5,5]P[3x5,6]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(P[3x5,6]P[5,5,6]2)(N[6]C[6a]C[6])2	N[6](Ga[5,5,6]P[3,5,5]P[3x5,6]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>,4|P<3>}	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(P[3x5,6]P[5,5,6]2)(N[6]C[6a]C[6])2{2|C<4>,2|P<3>,5|C<3>}	122.0845	0.371	4	122.0845	0.138	4	122.0845	0.138	4	121.5394	0.530	8	121.5394	0.530	8	120.6992	5.741	16
856	762	885	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[5,6]	4:3:3:	3:3:4:	3:3:3:3:	Ga[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:N[5]-3:N[5]-3:	N[6](Ga[5,6]N[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	Ga[5,6](N[6]C[6a]C[6])2(N[5]N[5]Si)2	N[6](Ga[5,6]N[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|Si<4>,1|H<1>,2|C<4>,2|N<2>,4|C<3>}	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|N<3>}	Ga[5,6](N[6]C[6a]C[6])2(N[5]N[5]Si)2{2|C<4>,5|C<3>}	114.7830	0.972	2	114.7830	0.944	2	114.7830	0.944	2	118.4560	18.409	4	119.8590	10.159	8	120.6992	5.741	16
856	762	885	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[5,6]	4:3:3:	3:3:4:	3:3:3:3:	Ga[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:P[5]-3:P[5]-3:	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	Ga[5,6](N[6]C[6a]C[6])2(P[5]P[5]Co)2	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Co<6>,1|H<1>,2|C<4>,2|P<3>,4|C<3>}	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	Ga[5,6](N[6]C[6a]C[6])2(P[5]P[5]Co)2{2|C<4>,5|C<3>}	122.1290	0.564	2	122.1290	0.318	2	122.1290	0.318	2	118.4560	18.409	4	119.8590	10.159	8	120.6992	5.741	16
856	762	885	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[5,6]	4:3:3:	3:3:4:	3:3:4:3:	Ga[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:P[5]-4:P[5]-3:	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	Ga[5,6](N[6]C[6a]C[6])2(P[5]P[5]CoP)(P[5]P[5]Co)	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Co<6>,1|H<1>,2|C<4>,3|P<3>,4|C<3>}	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,1|P<4>,2|C<3>}	Ga[5,6](N[6]C[6a]C[6])2(P[5]P[5]CoP)(P[5]P[5]Co){2|C<4>,5|C<3>}	121.2620	0.216	4	121.2620	0.047	4	121.2620	0.047	4	121.2620	0.047	4	119.8590	10.159	8	120.6992	5.741	16
856	762	887	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:S-3:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3)	S(N[6]C[6]2)(CC[6a]FF)(O)	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S(N[6]C[6]2)(CC[6a]FF)(O)	120.5190	0.000	1	120.5190	0.000	1	120.5190	0.000	1	120.5190	0.000	1	115.3137	12.677	4	115.3137	12.677	4
856	762	887	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:S-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	S(N[6]C[6]2)(CC3)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	S(N[6]C[6]2)(CC3)(O)	113.5787	0.976	3	113.5787	0.952	3	113.5787	0.952	3	113.5787	0.952	3	115.3137	12.677	4	115.3137	12.677	4
856	762	887	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:S-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	S(N[6]C[6]2)(CC3)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	S(N[6]C[6]2)(CC3)(O)	114.2950	0.284	2	114.2950	0.081	2	114.2950	0.081	2	114.2950	0.081	2	114.2950	0.081	2	114.2950	0.081	2
856	762	893	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	B[6a]-3:N[6]-3:	N[6](C[6]C[6]H)2(OB[6a])	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(B[6a]C[6a]N[6a])(N[6]C[6]2)	N[6](C[6]C[6]H)2(OB[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(B[6a]C[6a]N[6a])(N[6]C[6]2)	117.8235	0.262	2	117.8235	0.069	2	117.8235	0.069	2	117.6142	0.092	4	117.6142	0.092	4	117.6142	0.092	4
856	762	893	0:SP2_SP2_SP2	N[6]	C[6]	O	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:	N[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)(CNO)	N[6](C[6]C[6]H)2(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CNO)	117.4050	0.180	2	117.4050	0.032	2	117.4050	0.032	2	117.6142	0.092	4	117.6142	0.092	4	117.6142	0.092	4
856	762	893	0:SP2_SP2_SP3	N[6]	C[6,6]	O	3:3:2:	3:3:4:	3:1:	C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6])2(OH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	O(N[6]C[6,6]2)(H)	N[6](C[6,6]C[6,6]C[6])2(OH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	O(N[6]C[6,6]2)(H)	117.9850	0.147	2	117.8808	0.141	4	117.8808	0.141	4	117.8808	0.141	4	117.8808	0.141	4	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6,6]	O	3:3:2:	3:3:4:	3:1:	C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6])2(OH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	O(N[6]C[6,6]2)(H)	N[6](C[6,6]C[6,6]C[6])2(OH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	O(N[6]C[6,6]2)(H)	117.7765	0.598	2	117.8808	0.141	4	117.8808	0.141	4	117.8808	0.141	4	117.8808	0.141	4	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:2:2:	4:3:3:	3:4:	C[6]-3:O[6]-2:O-2:	C[6]-4:N[6]-3:C-3:	N[6]-3:Si-4:	N[6](C[6]C[6]C)(O[6]C[6])(OSi)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH)	O(N[6]C[6]O[6])(SiC3)	N[6](C[6]C[6]C)(O[6]C[6])(OSi){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH){1|C<4>,2|C<3>,2|H<1>}	O(N[6]C[6]O[6])(SiC3)	109.8570	0.000	2	109.8570	0.000	2	109.8570	0.000	2	109.8570	0.000	2	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	2:3:3:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-2:N[6]-3:N-3:	N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,2|N<3>}	O(N[6]C[6]2)(H)	117.1680	0.000	1	117.5670	0.318	2	117.5670	0.318	2	117.5670	0.318	2	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	2:3:3:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-2:N[6]-3:N-3:	N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,1|N<2>,1|N<3>}	O(N[6]C[6]2)(H)	117.9660	0.000	1	117.5670	0.318	2	117.5670	0.318	2	117.5670	0.318	2	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:2:1:	3:4:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-2:H-1:	N[6]-3:C-4:	N[6](C[6]C[6]N)(C[6]N[6]H)(OC)	C[6](N[6]C[6]O)(N[6]C[6])(H)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]N)(C[6]N[6]H)(OC){1|C<3>,1|N<3>}	C[6](N[6]C[6]O)(N[6]C[6])(H){1|C<2>,1|C<3>,1|N<2>}	O(N[6]C[6]2)(CC[6a]HH)	117.5900	0.000	1	117.5900	0.000	1	117.5900	0.000	1	117.5900	0.000	1	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:2:3:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-2:N-3:	N[6]-3:H-1:	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|H<1>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	O(N[6]C[6]2)(H)	119.3100	0.000	1	119.3100	0.000	1	119.0487	0.168	6	119.0487	0.168	6	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:2:3:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-2:N-3:	N[6]-3:H-1:	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<1>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	O(N[6]C[6]2)(H)	118.8970	0.000	1	118.7307	0.095	3	119.0487	0.168	6	119.0487	0.168	6	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:2:3:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-2:N-3:	N[6]-3:H-1:	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<2>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	O(N[6]C[6]2)(H)	118.6475	0.385	2	118.7307	0.095	3	119.0487	0.168	6	119.0487	0.168	6	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:2:3:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-2:N-3:	N[6]-3:H-1:	N[6](C[6]N[6]N)2(OH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)2(OH){1|C<3>,1|O<2>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	O(N[6]C[6]2)(H)	119.3950	0.198	2	119.3950	0.039	2	119.0487	0.168	6	119.0487	0.168	6	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(N[6]C[6]2)(H)	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	117.5995	3.047	12	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<1>}	O(N[6]C[6]2)(H)	116.4400	0.000	1	116.4400	0.000	1	118.1837	3.116	7	117.5995	3.047	12	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:	N[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	O(N[6]C[6]2)(H)	118.4743	1.741	6	118.4743	3.030	6	118.1837	3.116	7	117.5995	3.047	12	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:S-1:	N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(S)	O(N[6]C[6]2)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(S){1|C<3>,2|H<1>}	O(N[6]C[6]2)(H)	117.9670	0.000	1	117.9670	0.000	1	117.9670	0.000	1	117.5995	3.047	12	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6]-3:H-1:	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	C[6](N[6]C[6]O)2(O)	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<1>}	C[6](N[6]C[6]O)2(O){1|N<2>,2|N<3>}	O(N[6]C[6]2)(H)	117.7020	0.000	1	117.2483	0.169	3	117.2483	0.169	3	117.5995	3.047	12	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6]-3:H-1:	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	C[6](N[6]C[6]O)2(O)	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<2>}	C[6](N[6]C[6]O)2(O){1|N<2>,2|N<3>}	O(N[6]C[6]2)(H)	117.0215	0.173	2	117.2483	0.169	3	117.2483	0.169	3	117.5995	3.047	12	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	N[6]-3:B-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	O(N[6]C[6,6a]C[6])(BF3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	O(N[6]C[6,6a]C[6])(BF3)	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	117.8051	1.922	14	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(N[6]C[6]2)(CC[6a]HH)	117.6640	0.000	1	117.6640	0.000	1	116.1273	1.454	4	117.8051	1.922	14	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(N[6]C[6]2)(CH3)	115.6260	0.000	1	115.6150	0.606	3	116.1273	1.454	4	117.8051	1.922	14	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(N[6]C[6]2)(CH3)	116.3880	0.000	1	115.6150	0.606	3	116.1273	1.454	4	117.8051	1.922	14	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	O(N[6]C[6]2)(CH3)	114.8310	0.000	1	115.6150	0.606	3	116.1273	1.454	4	117.8051	1.922	14	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:B-4:	N[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	O(N[6]C[6]2)(BCFF)	N[6](C[6]C[6]H)2(OB){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)(BCFF)	117.7730	0.107	2	117.7730	0.012	2	118.5337	0.571	9	117.8051	1.922	14	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:B-4:	N[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)(BCFF)	N[6](C[6]C[6]H)2(OB){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)(BCFF)	118.4680	0.198	2	118.4680	0.039	2	118.5337	0.571	9	117.8051	1.922	14	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:B-4:	N[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)(BC[6a]OO)	N[6](C[6]C[6]H)2(OB){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)(BC[6a]OO)	119.2427	0.197	3	119.2427	0.039	3	118.5337	0.571	9	117.8051	1.922	14	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:B-4:	N[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)(BF3)	N[6](C[6]C[6]H)2(OB){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)(BF3)	118.2965	1.286	2	118.2965	1.654	2	118.5337	0.571	9	117.8051	1.922	14	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	3:6:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:Si-6:	N[6](C[6]C[6]H)2(OSi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(N[6]C[6]2)(SiF4O)	N[6](C[6]C[6]H)2(OSi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(N[6]C[6]2)(SiF4O)	118.7275	0.563	4	118.7275	0.317	4	118.7275	0.317	4	118.7275	0.317	4	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:1:	4:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	B[5]-4:N[6]-3:	N[6](C[6]C[6]H)2(OB[5])	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	O(B[5]C[5,6a]2C[5])(N[6]C[6]2)	N[6](C[6]C[6]H)2(OB[5]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	O(B[5]C[5,6a]2C[5])(N[6]C[6]2)	118.5985	2.621	2	118.5985	6.871	2	118.5985	6.871	2	118.5985	6.871	2	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:2:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:N-2:	N[6]-3:C-4:	N[6](C[6]C[6]N)(C[6]N[6]H)(OC)	C[6](C[6]C[6]N)(N[6]C[6]O)(NH)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]N)(C[6]N[6]H)(OC){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NH){1|C<2>,1|H<1>,1|N<2>}	O(N[6]C[6]2)(CC[6a]HH)	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:O-2:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){2|N<2>,2|N<3>}	O(N[6]C[6]2)(H)	117.2180	0.000	1	116.7420	0.453	2	116.7420	0.453	2	117.4461	2.214	9	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:O-2:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	O(N[6]C[6]2)(H)	116.2660	0.000	1	116.7420	0.453	2	116.7420	0.453	2	117.4461	2.214	9	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:N-3:	N[6]-3:H-1:	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH){1|N<2>,2|N<3>}	O(N[6]C[6]2)(H)	119.3250	0.000	1	119.3250	0.000	1	118.3277	6.105	3	117.4461	2.214	9	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:N-3:	N[6]-3:H-1:	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	O(N[6]C[6]2)(H)	117.8290	3.274	2	117.8290	10.718	2	118.3277	6.105	3	117.4461	2.214	9	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-3:N-3:	N[6]-3:H-1:	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	C[6](N[6]C[6]O)2(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]O)2(NHH){1|C<3>,2|N<3>}	O(N[6]C[6]2)(H)	116.6650	0.629	2	116.6650	0.396	2	117.1370	0.447	4	117.4461	2.214	9	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-3:N-3:	N[6]-3:H-1:	N[6](C[6]N[6]N)2(OH)	C[6](N[6]C[6]O)2(NHH)	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)2(OH){1|C<3>,1|O<2>}	C[6](N[6]C[6]O)2(NHH){1|N<2>,2|N<3>}	O(N[6]C[6]2)(H)	117.6090	0.235	2	117.6090	0.055	2	117.1370	0.447	4	117.4461	2.214	9	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:3:	4:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6])	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H)	O(C[6]C[6]2H)(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H){1|O<1>,2|C<4>}	O(C[6]C[6]2H)(N[6]C[6]2)	116.2690	0.000	1	116.2690	0.000	1	116.2690	0.000	1	116.2690	0.000	1	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	3:3:4:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	N[6]-3:B-4:	N[6](C[6]C[6]C)2(OB)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	O(N[6]C[6]2)(BC[6a]3)	N[6](C[6]C[6]C)2(OB){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	O(N[6]C[6]2)(BC[6a]3)	117.9125	0.100	2	117.9125	0.010	2	117.9125	0.010	2	117.9125	0.010	2	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	4:3:1:	3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	O(N[6]C[6]2)(H)	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	4:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O){1|O<1>,4|C<3>}	O(N[6]C[6]2)(CH3)	115.7350	0.000	1	115.7350	0.000	1	115.1495	2.565	8	115.1495	2.565	8	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	4:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	O(N[6]C[6]2)(CC[6a]HH)	114.5720	0.000	1	114.5720	0.000	1	115.1495	2.565	8	115.1495	2.565	8	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	4:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	O(N[6]C[6]2)(CH3)	116.0295	0.547	2	116.0295	0.299	2	115.1495	2.565	8	115.1495	2.565	8	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	4:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]O)2(OC){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	O(N[6]C[6]2)(CC[6a]HH)	115.5795	1.231	2	115.5795	1.516	2	115.1495	2.565	8	115.1495	2.565	8	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	4:3:1:	3:4:	C[6]-3:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]HN)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]O)2(OC){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	O(N[6]C[6]2)(CC[6a]HH)	113.8355	3.177	2	113.8355	10.094	2	115.1495	2.565	8	115.1495	2.565	8	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:3:2:	4:3:1:	4:3:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O)	O(C[6]C[6]2H)(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(N[6]C[6]2)	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:2:	3:3:1:	3:1:	C[6]-3:C[6]-4:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,2|C<3>,3|C<4>}	O(N[6]C[6]2)(H)	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:2:	3:3:1:	3:4:	C[6]-3:C[6]-4:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	O(N[6]C[6]2)(CH3)	118.0490	0.000	1	118.0490	0.000	1	117.2687	1.304	3	116.1732	5.669	4	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:2:	3:3:1:	3:4:	C[6]-3:C[6]-4:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,2|C<3>,3|H<1>}	O(N[6]C[6]2)(CH3)	115.9580	0.000	1	115.9580	0.000	1	117.2687	1.304	3	116.1732	5.669	4	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:2:	3:3:1:	3:4:	C[6]-3:C[6]-4:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(N[6]C[6]2)(CH3)	117.7990	0.000	1	117.7990	0.000	1	117.2687	1.304	3	116.1732	5.669	4	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	3:4:2:	3:3:1:	3:4:	C[6]-3:C[6]-4:O-2:	N[5a,6]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC){1|H<1>,3|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>}	O(N[6]C[6]2)(CH3)	112.8870	0.000	1	112.8870	0.000	1	112.8870	0.000	1	116.1732	5.669	4	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:2:	3:3:1:	3:4:	C[5,6]-4:C[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC)	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O)	O(N[6]C[5,6]C[6])(CC[6a]HH)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(N[6]C[5,6]C[6])(CC[6a]HH)	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:2:	3:4:1:	3:4:	C[6,6]-4:C[6]-3:O-2:	N[6]-3:C[6]-4:O-1:	N[6]-3:C-4:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC)	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O)	O(N[6]C[6,6]C[6])(CC[6a]HH)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6,6]C[6])(CC[6a]HH)	118.7440	0.000	1	118.7440	0.000	1	118.7440	0.000	1	118.7440	0.000	1	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC)	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC3)	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O){1|C<3>,2|C<4>,2|H<1>}	O(N[6]C[6]2)(CC3)	115.7320	0.000	1	115.7320	0.000	1	116.2504	3.208	5	116.2504	3.208	5	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>}	O(N[6]C[6]2)(CC[6a]HH)	115.9800	0.000	1	115.9800	0.000	1	116.2504	3.208	5	116.2504	3.208	5	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){2|C<4>,3|H<1>}	O(N[6]C[6]2)(CC[6a]HH)	117.4230	0.000	1	117.4230	0.000	1	116.2504	3.208	5	116.2504	3.208	5	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(N[6]C[6]2)(CC[6a]HH)	113.7090	0.000	1	113.7090	0.000	1	116.2504	3.208	5	116.2504	3.208	5	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP2_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]O[6]CH)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6]2)(CC[6a]HH)	118.4080	0.000	1	118.4080	0.000	1	116.2504	3.208	5	116.2504	3.208	5	117.0716	5.081	78	117.1110	4.866	82
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	3:4:2:	3:3:1:	3:1:	C[6]-3:C[6]-4:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	O(N[6]C[6]2)(H)	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	3:4:2:	3:3:1:	3:4:	C[6]-3:C[6]-4:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(N[6]C[6]2)(CH3)	115.7480	0.000	1	115.7480	0.000	1	115.7480	0.000	1	115.7480	0.000	1	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	3:3:1:	3:4:	C[5,6]-4:C[6]-3:O-2:	N[5a,6]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O)	O(N[6]C[5,6]C[6])(CH3)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC){1|H<1>,1|N<3>,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>}	O(N[6]C[5,6]C[6])(CH3)	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	112.5482	8.279	4	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	3:3:1:	3:4:	C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O)	O(N[6]C[6,6]C[6])(CH3)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(N[6]C[6,6]C[6])(CH3)	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	112.5482	8.279	4	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	3:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	O(N[6]C[6]2)(CH3)	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,1|O<2>,4|C<3>}	O(N[6]C[6]2)(CH3)	115.1440	0.000	1	115.1440	0.000	1	115.1440	0.000	1	112.5482	8.279	4	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	3:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC)	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(N[6]C[6]2)(CC[6a]HH)	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	112.5482	8.279	4	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[5,6,6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O)	O(N[6]C[5,6,6]C[6])(CH3)	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O){2|C<3>,2|C<4>}	O(N[6]C[5,6,6]C[6])(CH3)	114.7040	0.000	1	114.7040	0.000	1	114.7040	0.000	1	115.4551	0.831	7	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	O(N[6]C[5,6]C[6])(CCHH)	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	O(N[6]C[5,6]C[6])(CCHH)	116.2130	0.000	1	116.2130	0.000	1	115.4537	0.261	4	115.4551	0.831	7	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O)	O(N[6]C[5,6]C[6])(CH3)	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O){2|C<3>,2|C<4>}	O(N[6]C[5,6]C[6])(CH3)	115.1565	0.049	2	115.1565	0.002	2	115.4537	0.261	4	115.4551	0.831	7	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[5,6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	O(N[6]C[5,6]C[6])(CCHH)	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	O(N[6]C[5,6]C[6])(CCHH)	115.2890	0.000	1	115.2890	0.000	1	115.4537	0.261	4	115.4551	0.831	7	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(N[6]C[6]2)(CC[6a]HH)	114.5390	0.000	1	114.5390	0.000	1	115.8335	3.351	2	115.4551	0.831	7	114.6761	4.773	13	114.6761	4.773	13
856	762	893	0:SP3_SP2_SP3	N[6]	C[6]	O	4:3:2:	4:3:1:	3:4:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC)	C[6](C[6]O[6]CC)(N[6]C[6]O)(O)	O(N[6]C[6]2)(CC[6a]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]O[6]CC)(N[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	O(N[6]C[6]2)(CC[6a]HH)	117.1280	0.000	1	117.1280	0.000	1	115.8335	3.351	2	115.4551	0.831	7	114.6761	4.773	13	114.6761	4.773	13
856	762	899	0:SP2_SP-NON_SP2	N[6]	C[6]	C	3:2:1:	4:3:1:	3:	C[6]-3:C[6]-2:C-1:	C[6]-4:N[6]-3:C-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](C[6]C[6]OU)(N[6]C[6]C)(C)	C(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6])(C){1|U<12>,1|C<4>,1|O<2>}	C[6](C[6]C[6]OU)(N[6]C[6]C)(C){1|C<2>,1|O<2>}	C(N[6]C[6]2)	119.9040	0.421	2	119.9040	0.178	2	119.9040	0.178	2	119.9040	0.178	2	119.9040	0.178	2	119.9040	0.178	2
856	762	907	6:SP2_SP2_SP3	N[6]	C[6]	Ge[4,6]	4:3:3:	3:3:1:	3:3:2:2:	Ge[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:As[4]-2:As[4]-2:	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H)	Ge[4,6](N[6]C[6a]C[6])2(As[4]Ge[4,6])2	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ge<4>,1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H){2|As<2>,1|H<1>,1|N<3>,2|C<3>}	Ge[4,6](N[6]C[6a]C[6])2(As[4]Ge[4,6])2{2|H<1>,2|N<3>,5|C<3>}	122.1767	0.355	4	122.1767	0.126	4	122.1767	0.126	4	122.1767	0.126	4	122.8315	1.109	6	122.8315	1.109	6
856	762	907	6:SP2_SP2_SP3	N[6]	C[6]	Ge[4,6]	4:3:3:	3:3:4:	3:3:2:2:	Ge[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:P[4]-2:P[4]-2:	N[6](Ge[4,6]N[6]P[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3)	Ge[4,6](N[6]C[6a]C[6])2(P[4]Ge[4,6])2	N[6](Ge[4,6]N[6]P[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ge<4>,1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<2>}	Ge[4,6](N[6]C[6a]C[6])2(P[4]Ge[4,6])2{2|C<4>,2|N<3>,5|C<3>}	124.1410	0.156	2	124.1410	0.024	2	124.1410	0.024	2	124.1410	0.024	2	122.8315	1.109	6	122.8315	1.109	6
856	762	909	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:	N[6](C[6]C[6]H)2(SN[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(N[6]C[6]2)2	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(N[6]C[6]2)2	120.3960	1.831	2	119.8333	3.025	4	119.8333	3.025	4	119.8333	3.025	4	119.8333	3.025	4	119.8333	3.025	4
856	762	909	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:	N[6](C[6]C[6]H)2(SN[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(N[6]C[6]2)2	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|H<1>,2|C<3>}	S(N[6]C[6]2)2	119.2705	2.111	2	119.8333	3.025	4	119.8333	3.025	4	119.8333	3.025	4	119.8333	3.025	4	119.8333	3.025	4
856	762	911	0:SP2_SP2_SPD6	N[6]	C[6]	Si	3:3:6:	3:3:1:	3:1:1:1:1:1:	C[6]-3:C[6]-3:Si-6:	N[6]-3:C[6]-3:H-1:	N[6]-3:F-1:F-1:F-1:F-1:F-1:	N[6](C[6]C[6]H)2(SiF5)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)(F)5	N[6](C[6]C[6]H)2(SiF5){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Si(N[6]C[6]2)(F)5	120.7970	0.000	1	120.7970	0.000	1	120.7970	0.000	1	120.7970	0.000	1	120.8444	1.277	21	120.8444	1.277	21
856	762	911	0:SP2_SP2_SPD6	N[6]	C[6]	Si	6:3:3:	3:3:1:	3:3:1:1:1:1:	Si-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:Cl-1:Cl-1:Cl-1:H-1:	N[6](SiN[6]Cl3H)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)2(Cl)3(H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Si(N[6]C[6]2)2(Cl)3(H)	121.2037	2.512	4	121.2037	6.311	4	121.2037	6.311	4	121.2037	6.311	4	120.8444	1.277	21	120.8444	1.277	21
856	762	911	0:SP2_SP2_SPD6	N[6]	C[6]	Si	6:3:3:	3:3:1:	3:3:3:3:1:1:	Si-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	Si(N[6]C[6]2)4(H)2	120.3510	0.318	2	120.1203	0.098	6	120.7575	0.398	16	120.7575	0.398	16	120.8444	1.277	21	120.8444	1.277	21
856	762	911	0:SP2_SP2_SPD6	N[6]	C[6]	Si	6:3:3:	3:3:1:	3:3:3:3:1:1:	Si-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	Si(N[6]C[6]2)4(H)2	120.0050	0.277	4	120.1203	0.098	6	120.7575	0.398	16	120.7575	0.398	16	120.8444	1.277	21	120.8444	1.277	21
856	762	911	0:SP2_SP2_SPD6	N[6]	C[6]	Si	6:3:3:	3:3:1:	3:3:3:3:1:1:	Si-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Si(N[6]C[6]2)4(H)2	120.6805	0.538	2	121.1398	0.176	10	120.7575	0.398	16	120.7575	0.398	16	120.8444	1.277	21	120.8444	1.277	21
856	762	911	0:SP2_SP2_SPD6	N[6]	C[6]	Si	6:3:3:	3:3:1:	3:3:3:3:1:1:	Si-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Si(N[6]C[6]2)4(H)2	121.2546	0.331	8	121.1398	0.176	10	120.7575	0.398	16	120.7575	0.398	16	120.8444	1.277	21	120.8444	1.277	21
856	762	914	6:SP2_SP2_SP2	N[6,6]	C[6,6]	N[6]	3:4:2:	3:3:2:	3:3:	C[6,6]-3:B[6]-4:N[6]-2:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6])	N[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]N)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6]){1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	N[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]N){1|N<2>,1|N<3>,2|C<3>,2|F<1>}	124.6610	0.000	1	124.6610	0.000	1	124.6610	0.000	1	124.6610	0.000	1	124.6610	0.000	1	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6,6]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O)	N[6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6]){1|H<1>,1|O<1>,6|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a]){1|N<2>,1|O<1>,5|C<3>}	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	2:3:1:	2:3:3:	3:3:	N[6]-2:C[6]-3:O-1:	N[6]-2:N[6]-3:N-3:	C[5,6]-3:N[6]-3:	N[6](N[6]C[5,6])(C[6]N[6]N)(O)	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH)	N[6](C[5,6]N[5,6]N[5])(N[6]C[6]O)	N[6](N[6]C[5,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH){2|C<3>}	N[6](C[5,6]N[5,6]N[5])(N[6]C[6]O){1|C<3>,1|N<2>,2|N<3>}	123.5245	0.144	2	123.5245	0.021	2	123.5245	0.021	2	123.1587	0.412	3	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	2:3:1:	2:3:3:	3:3:	N[6]-2:C[6]-3:O-1:	N[6]-2:N[6]-3:N-3:	C[5a,6]-3:N[6]-3:	N[6](N[6]C[5a,6])(C[6]N[6]N)(O)	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH)	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]O)	N[6](N[6]C[5a,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH){2|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]O){1|C<3>,1|N<3>,2|N<2>}	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	123.1587	0.412	3	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	2:3:1:	4:3:1:	3:3:	N[6]-2:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[5,6]-3:N[6]-3:	N[6](N[6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O)	N[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)	N[6](N[6]C[5,6])(C[6]C[6]O)(H){2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>}	N[6](C[5,6]N[5,6]N[5])(N[6]C[6]H){1|O<1>,4|C<4>}	127.7960	0.000	1	127.7960	0.000	1	127.7960	0.000	1	127.3790	0.151	3	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	2:3:1:	4:3:1:	3:3:	N[6]-2:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6,6]-3:N[6]-3:	N[6](N[6]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O)	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]H)	N[6](N[6]C[6,6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	127.1705	0.203	2	127.1705	0.041	2	127.1705	0.041	2	127.3790	0.151	3	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	2:3:3:	4:3:1:	3:3:	N[6]-2:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	C[6,6]-3:N[6]-3:	N[6](N[6]C[6,6])(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O)	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]C)	N[6](N[6]C[6,6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	2:3:4:	4:3:1:	3:3:	N[6]-2:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[5,6]-3:N[6]-3:	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HH)(N[6]N[6]C)(O)	N[6](C[5,6]C[5,6]O[5])(N[6]C[6]C)	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6]C[5,6]O[5])(N[6]C[6]C){1|H<1>,1|O<1>,3|C<4>}	124.8220	0.000	1	124.8220	0.000	1	124.8220	0.000	1	124.9690	0.043	2	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	2:3:4:	4:3:1:	3:3:	N[6]-2:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6,6]-3:N[6]-3:	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]N[6]C)(O)	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]C)	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.1160	0.000	1	125.1160	0.000	1	125.1160	0.000	1	124.9690	0.043	2	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:2:1:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]Cl)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]N[6]Cl)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(N[6]C[6])(Cl){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:2:2:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:S[6]-2:N-2:	C[6]-3:N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NC)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(S[6]C[6])(NC){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	128.6290	0.000	1	128.6290	0.000	1	127.4060	0.945	5	127.4060	0.945	5	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:2:2:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:S[6]-2:N-2:	C[6]-3:N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a])	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	127.7870	0.000	1	127.7870	0.000	1	127.4060	0.945	5	127.4060	0.945	5	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:2:2:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:S[6]-2:N-2:	C[6]-3:N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NN)	N[6](C[6]C[5a]C[6])(N[6]C[6]H)	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	126.8713	0.801	3	126.8713	0.642	3	127.4060	0.945	5	127.4060	0.945	5	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:2:3:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]N[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>}	123.4405	0.056	2	123.4405	0.003	2	123.0105	0.557	23	123.0105	0.557	23	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:2:3:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]N[6]N)(N[6]C[6])(H){2|C<3>}	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<2>,2|C<3>,2|N<3>}	122.9695	0.770	21	122.9695	0.592	21	123.0105	0.557	23	123.0105	0.557	23	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]Br)(N[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]H)(N[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]N[6]H)(H){1|C<3>,1|O<2>}	N[6](C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	125.2410	0.000	1	125.2410	0.000	1	125.1271	0.726	8	126.0590	1.822	17	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	124.9550	0.900	6	125.1109	0.845	7	125.1271	0.726	8	126.0590	1.822	17	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(H){2|C<3>}	N[6](C[6]C[6]H)(N[6]C[6]H){1|H<1>,2|C<3>}	126.0460	0.000	1	125.1109	0.845	7	125.1271	0.726	8	126.0590	1.822	17	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	N[6](C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]N[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	124.2810	0.000	1	124.2810	0.000	1	126.3747	3.288	3	126.0590	1.822	17	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(H)	C[6](N[6]C[6]N)(N[6]N[6]H)(O)	N[6](C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]N[6]O)(N[6]C[6])(H){1|N<2>,2|C<4>}	C[6](N[6]C[6]N)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>}	127.4215	0.011	2	127.4215	0.000	2	126.3747	3.288	3	126.0590	1.822	17	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(S)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]N[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]N[6]H)(S){1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<3>,1|O<2>,1|S<1>,3|C<3>}	125.7110	0.000	1	126.2325	0.544	2	127.1437	0.636	6	126.0590	1.822	17	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(S)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]N[6]S)(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	126.7540	0.000	1	126.2325	0.544	2	127.1437	0.636	6	126.0590	1.822	17	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	C[6](N[6]C[6]N)(N[6]N[6]H)(S)	N[6](C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]N[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]N)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,1|S<1>}	127.7315	0.036	2	127.7315	0.001	2	127.1437	0.636	6	126.0590	1.822	17	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	C[6](N[6]C[6]N)(N[6]N[6]H)(S)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]N[6]S)(N[6]C[6])(H){1|N<3>,2|C<3>}	C[6](N[6]C[6]N)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	127.4670	0.274	2	127.4670	0.075	2	127.1437	0.636	6	126.0590	1.822	17	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	N[6](C[6]C[5a,6]N)(N[6]C[6]H)	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]N)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>}	127.3880	0.000	1	127.3475	0.003	2	127.3475	0.003	2	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	N[6](C[6]C[5a,6]N)(N[6]C[6]H)	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[5a,6]N)(N[6]C[6]H){1|C<3>,2|N<2>}	127.3070	0.000	1	127.3475	0.003	2	127.3475	0.003	2	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[5a]N[6])(N[6]C[6]H)	N[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|C<3>,1|N<2>,2|N<3>}	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	117.2130	0.000	1	117.2130	0.000	1	117.2130	0.000	1	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	N[6](C[6]C[6,6a]H)(N[6]C[6]H)	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(N[6]C[6]H){1|N<2>,2|C<3>}	126.7969	0.332	13	126.7969	0.110	13	126.7969	0.110	13	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn)	N[6](C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6]S)(N[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<3>,1|H<1>,1|S<2>}	127.4090	0.920	4	127.4090	0.847	4	127.4180	0.636	5	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(SCu)	N[6](C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(SCu){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<3>,1|H<1>,1|S<2>}	127.4540	0.000	1	127.4540	0.000	1	127.4180	0.636	5	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<2>,2|C<4>,3|C<3>}	118.6600	0.000	1	118.6600	0.000	1	115.9257	6.504	8	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|N<2>,4|C<3>}	117.3870	0.387	2	117.3870	0.150	2	115.9257	6.504	8	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.2500	0.000	1	119.2500	0.000	1	115.9257	6.504	8	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	113.6805	0.898	4	113.6805	0.806	4	115.9257	6.504	8	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	N[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]N[5a]N[6])(N[6]C[6])(H)	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]N[5a]N[6])(N[6]C[6]H)	N[6](C[6]N[5a]N[6])(N[6]C[6])(H){1|C<3>,1|N<2>,2|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>}	N[6](C[6]N[5a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	114.3615	0.097	2	114.3615	0.009	2	114.3615	0.009	2	123.0157	31.844	31	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:3:	3:3:	C[6]-3:N[6]-2:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	N[6](C[6]C[6,6a]H)(N[6]C[6]H)	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(N[6]C[6]H){1|N<3>,2|C<3>}	125.7340	0.213	3	125.7340	0.046	3	125.9285	0.309	6	124.1156	2.741	19	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:3:	3:3:	C[6]-3:N[6]-2:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	N[6](C[6]C[6,6a]N)(N[6]C[6]H)	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(N[6]C[6]H){1|N<3>,2|C<3>}	126.1230	0.784	3	126.1230	0.615	3	125.9285	0.309	6	124.1156	2.741	19	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:3:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6]N)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC)	N[6](C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6]N)(N[6]C[6])(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	125.4750	0.000	1	125.4750	0.000	1	125.9835	0.517	2	124.1156	2.741	19	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:3:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6]N)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH)	N[6](C[6]C[6]Cl)(N[6]C[6]H)	N[6](C[6]C[6]N)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH){1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	126.4920	0.000	1	126.4920	0.000	1	125.9835	0.517	2	124.1156	2.741	19	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:3:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]C[6a]C[6])(N[6]C[6])(H){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H){3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){2|H<1>,4|C<3>}	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	124.1156	2.741	19	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:3:	3:3:	C[6]-3:N[6]-2:O-1:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5])(N[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O)	N[6](C[6]C[6,6a]H)(N[6]C[6]O)	N[6](C[6]C[6,6a]C[5])(N[6]C[6])(O){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(N[6]C[6]O){3|C<3>}	122.4580	0.025	2	122.4580	0.001	2	122.4580	0.001	2	124.1156	2.741	19	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:3:	3:3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(O)	C[6](N[6]N[6]O)2(NHH)	N[6](C[6]N[6]2)(N[6]C[6]O)	N[6](C[6]N[6]N)(N[6]C[6])(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]N[6]O)2(NHH){1|C<3>}	N[6](C[6]N[6]2)(N[6]C[6]O){2|C<3>,2|N<3>}	123.0302	0.329	4	123.0302	0.108	4	122.9278	0.082	8	124.1156	2.741	19	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:3:	3:3:	C[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(O)	C[6](N[6]N[6]O)2(NHH)	N[6](C[6]N[6]H)(N[6]C[6]O)	N[6](C[6]N[6]N)(N[6]C[6])(O){1|H<1>,1|N<2>,1|O<1>}	C[6](N[6]N[6]O)2(NHH){1|C<3>}	N[6](C[6]N[6]H)(N[6]C[6]O){2|N<3>}	122.8253	0.235	4	122.8253	0.055	4	122.9278	0.082	8	124.1156	2.741	19	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:4:	3:3:	C[6]-3:N[6]-2:H-1:	C[5a,6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:	N[6](C[6]C[5a,6]C)(N[6]C[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3)	N[6](C[6]C[5a,6]C)(N[6]C[6]H)	N[6](C[6]C[5a,6]C)(N[6]C[6])(H){1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>}	127.9110	0.000	1	127.9110	0.000	1	127.9110	0.000	1	127.9110	0.000	1	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	4:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	N[6](C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|O<1>,2|H<1>}	127.1810	0.167	2	127.1810	0.028	2	126.7330	0.352	11	126.7330	0.352	11	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	4:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	126.3400	0.899	2	126.6333	0.663	3	126.7330	0.352	11	126.7330	0.352	11	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	4:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	127.2200	0.000	1	126.6333	0.663	3	126.7330	0.352	11	126.7330	0.352	11	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	4:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]C[6]O)(N[6]C[6])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O){1|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>}	126.8675	0.101	4	126.8675	0.010	4	126.7330	0.352	11	126.7330	0.352	11	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	4:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	N[6](C[6]N[6]H)(N[6]C[6]H)	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){2|C<3>}	N[6](C[6]N[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>}	126.8680	0.000	1	126.8680	0.000	1	126.7330	0.352	11	126.7330	0.352	11	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	4:3:1:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]O[6]HH)(N[6]N[6]H)(O)	N[6](C[6]C[5a]O[6])(N[6]C[6]H)	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]N[6]H)(O){1|C<3>}	N[6](C[6]C[5a]O[6])(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	125.4630	0.000	1	125.4630	0.000	1	126.7330	0.352	11	126.7330	0.352	11	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	4:3:3:	3:3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	124.4950	0.000	1	124.4950	0.000	1	124.4950	0.000	1	124.4950	0.000	1	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:2:	3:3:2:	3:3:	C[6]-3:N[6]-2:N-2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS)	C[6](C[6a]C[6a]2)(N[6]N[6]N)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]N)	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS){1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]N)(N[6]N[6]){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]N){1|N<2>,3|C<3>}	120.2170	0.000	1	120.2170	0.000	1	120.2170	0.000	1	120.2170	0.000	1	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:3:	3:2:4:	3:3:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	C[6](N[6]N[6]C)(N[6]N[6])(CCHH)	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	C[6](N[6]N[6]C)(N[6]N[6])(CCHH){2|C<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	116.4090	0.018	2	116.4090	0.000	2	117.0756	2.143	16	117.0756	2.143	16	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:3:	3:2:4:	3:3:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<3>,1|N<2>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3){1|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<4>,1|N<2>,2|C<3>}	117.9890	0.000	2	117.9890	0.000	2	117.0756	2.143	16	117.0756	2.143	16	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:3:	3:2:4:	3:3:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3){2|C<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	116.5403	1.200	10	116.5403	1.441	10	117.0756	2.143	16	117.0756	2.143	16	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:3:	3:2:4:	3:3:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:	N[6](C[6]N[6]C)(N[6]C[6])(CN[6]O)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]C)(N[6]C[6])(CN[6]O){1|C<4>,1|N<3>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3){2|C<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	119.5050	1.400	2	119.5050	1.960	2	117.0756	2.143	16	117.0756	2.143	16	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:3:	3:3:2:	3:3:	C[6]-3:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|H<1>,1|N<2>,3|C<3>}	115.3550	0.000	1	115.3550	0.000	1	115.2750	0.835	4	115.2750	0.835	4	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:3:	3:3:2:	3:3:	C[6]-3:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|N<2>,4|C<3>}	114.0210	0.000	1	114.0210	0.000	1	115.2750	0.835	4	115.2750	0.835	4	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:3:	3:3:2:	3:3:	C[6]-3:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|H<1>,1|N<2>,3|C<3>}	115.8620	0.488	2	115.8620	0.238	2	115.2750	0.835	4	115.2750	0.835	4	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:B-4:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	C[6](C[6]C[6]C)(N[6]N[6]B)(S)	N[6](C[6]C[6]C)(N[6]C[6]B)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]N[6]B)(S){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]B){1|C<3>,1|H<1>,1|S<1>}	124.7470	0.833	2	124.7470	0.694	2	124.7470	0.694	2	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(CCHH)	C[6](C[6]C[6]H)(N[6]N[6]C)(H)	N[6](C[6]C[5]C[6])(N[6]C[6]C)	N[6](C[6]C[6]H)(N[6]C[6])(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]N[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[5]C[6])(N[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	124.1500	0.000	1	124.1500	0.000	1	124.1500	0.000	1	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<3>,2|C<3>}	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O){1|Fe<6>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Fe<6>,1|C<3>,1|O<1>,2|N<3>}	125.2660	0.215	3	125.6618	0.317	5	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<3>,2|C<3>}	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O){1|Pd<4>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Pd<4>,1|C<3>,1|O<1>,2|N<3>}	126.2555	0.022	2	125.6618	0.317	5	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[5]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Pd<4>,1|C<3>}	N[6](C[6]C[5]N[6])(N[6]C[6]C){1|Pd<4>,1|O<1>,3|N<3>}	124.0940	0.000	1	124.0615	0.002	2	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[5]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Pt<4>,1|C<3>}	N[6](C[6]C[5]N[6])(N[6]C[6]C){1|Pt<4>,1|O<1>,3|N<3>}	124.0290	0.000	1	124.0615	0.002	2	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Cu<4>,1|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Cu<4>,1|C<3>,1|O<1>,2|N<3>}	124.0010	0.000	1	123.7658	0.082	5	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Pd<4>,1|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Pd<4>,1|C<3>,1|O<1>,2|N<3>}	123.7227	0.358	3	123.7658	0.082	5	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Pt<4>,1|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Pt<4>,1|C<3>,1|O<1>,2|N<3>}	123.6600	0.000	1	123.7658	0.082	5	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]N[6]C)2(O){1|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	124.2970	0.443	2	124.2466	0.564	28	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]N[6]C)2(O){1|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>}	124.4040	0.359	24	124.2466	0.564	28	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|C<3>,1|C<4>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	120.9040	0.000	1	124.2466	0.564	28	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Pd<4>,1|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|Pd<4>,1|N<3>,1|O<1>,2|C<3>}	123.7090	0.000	1	124.2466	0.564	28	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<2>,2|C<4>}	C[6](N[6]N[6]C)2(O){1|C<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|N<3>,1|O<1>}	124.4930	0.045	2	124.4930	0.002	2	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[5]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Mn<6>,1|C<3>}	N[6](C[6]C[5]N[6])(N[6]C[6]C){1|Mn<6>,1|O<1>,3|N<3>}	124.9160	0.000	1	124.6770	0.114	2	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[5]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Ni<6>,1|C<3>}	N[6](C[6]C[5]N[6])(N[6]C[6]C){1|Ni<6>,1|O<1>,3|N<3>}	124.4380	0.000	1	124.6770	0.114	2	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[5a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]N[6]C)2(O){1|C<3>}	N[6](C[6]C[5a]N[6])(N[6]C[6]C){1|N<2>,1|O<1>,2|N<3>}	124.3218	0.390	4	124.3218	0.152	4	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Cu<4>,1|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Cu<4>,1|C<3>,1|O<1>,2|N<3>}	124.6080	0.711	2	124.4643	0.315	3	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Pd<4>,1|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Pd<4>,1|C<3>,1|O<1>,2|N<3>}	124.1770	0.000	1	124.4643	0.315	3	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]N[6]C)2(O){1|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	124.3690	0.065	2	124.3690	0.004	2	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Co<6>,1|C<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|Co<6>,1|N<3>,1|O<1>}	124.3650	0.147	2	124.1671	0.027	8	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Fe<6>,1|C<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|Fe<6>,1|N<3>,1|O<1>}	124.1393	0.118	4	124.1671	0.027	8	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|Ni<6>,1|C<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|Ni<6>,1|N<3>,1|O<1>}	124.0250	0.034	2	124.1671	0.027	8	124.3485	0.493	61	124.3579	0.486	64	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:2:	3:3:	C[6]-3:N[6]-2:B-4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn)	N[6](C[6]C[6]C)(N[6]C[6]B)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]B){1|C<3>,1|H<1>,1|S<2>}	124.2207	0.383	4	124.2207	0.147	4	124.2207	0.147	4	124.8008	1.793	5	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:2:	3:3:	C[6]-3:N[6]-2:C-4:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a])	N[6](C[6]C[5a,6]C[6a])(N[6]C[6]C)	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3){1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a]){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]C[6a])(N[6]C[6]C){2|N<2>,3|C<3>}	127.1210	0.000	1	127.1210	0.000	1	127.1210	0.000	1	124.8008	1.793	5	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	C[6](N[6]C[6a]N[6])(N[6]N[6])(COO)	N[6](N[6]C[6a]C[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]N[6])(N[6]N[6])(COO){4|C<3>}	N[6](N[6]C[6a]C[6])(C[6]N[6]C){1|N<2>,4|C<3>}	113.0990	0.000	1	113.0990	0.000	1	113.0990	0.000	1	113.0990	0.000	1	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6]H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H){4|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,4|C<3>}	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	124.2268	0.873	27	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])2(O){5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	124.1370	0.653	2	124.0331	1.293	14	124.0331	1.293	14	124.2268	0.873	27	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])2(O){5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,1|O<1>,4|C<3>}	124.4136	0.864	10	124.0331	1.293	14	124.0331	1.293	14	124.2268	0.873	27	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])2(O){1|C<4>,5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	122.0270	0.382	2	124.0331	1.293	14	124.0331	1.293	14	124.2268	0.873	27	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(O)	N[6](N[6]C[6a]C[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]N[6])2(O){5|C<3>}	N[6](N[6]C[6a]C[6])(C[6]N[6]C){1|N<3>,1|O<1>,2|C<3>}	124.5977	0.251	12	124.5977	0.063	12	124.5977	0.063	12	124.2268	0.873	27	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:	C[6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,5|C<3>}	123.0475	0.337	2	123.0475	0.114	2	123.0475	0.114	2	123.0475	0.114	2	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	N[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6a]C[6]){2|H<1>,6|C<3>}	120.0015	1.296	2	120.0015	1.680	2	120.0015	1.680	2	120.0015	1.680	2	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3)	N[6](N[6]C[6a]C[6])(C[6]C[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,4|C<3>}	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:4:1:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	N[6](N[6]C[6a]C[6])(C[6]C[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){1|H<1>,4|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	123.6055	1.066	2	123.7553	0.635	3	123.3668	0.706	5	123.3668	0.706	5	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:4:1:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	N[6](N[6]C[6a]C[6])(C[6]C[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.0550	0.000	1	123.7553	0.635	3	123.3668	0.706	5	123.3668	0.706	5	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:4:1:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O)	N[6](N[6]C[6a]C[6])(C[6]O[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O){3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]O[6]C){1|C<4>,1|O<1>,2|C<3>}	122.7840	0.651	2	122.7840	0.423	2	123.3668	0.706	5	123.3668	0.706	5	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:4:2:	3:3:2:	3:3:	C[6]-3:B-4:N[6]-2:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6]S)(BN[6]2Co)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]N[6]B)(SCo)	N[6](C[6]C[6]C)(N[6]C[6]B)	N[6](C[6]C[6]S)(BN[6]2Co)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]B)(SCo){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]B){1|C<3>,1|H<1>,1|S<2>}	125.0550	0.382	3	125.0550	0.146	3	125.2764	0.184	17	124.0208	9.735	20	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:4:2:	3:3:2:	3:3:	C[6]-3:B-4:N[6]-2:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6]S)(BN[6]2Cu)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]N[6]B)(SCu)	N[6](C[6]C[6]C)(N[6]C[6]B)	N[6](C[6]C[6]S)(BN[6]2Cu)(N[6]C[6]){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]N[6]B)(SCu){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]B){1|C<3>,1|H<1>,1|S<2>}	125.6024	0.321	8	125.6024	0.103	8	125.2764	0.184	17	124.0208	9.735	20	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:4:2:	3:3:2:	3:3:	C[6]-3:B-4:N[6]-2:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6]S)(BN[6]2Ni)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]N[6]B)(SNi)	N[6](C[6]C[6]C)(N[6]C[6]B)	N[6](C[6]C[6]S)(BN[6]2Ni)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]B)(SNi){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]B){1|C<3>,1|H<1>,1|S<2>}	124.9523	0.247	6	124.9523	0.061	6	125.2764	0.184	17	124.0208	9.735	20	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:4:2:	3:3:2:	3:3:	C[6]-3:S-4:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(SC[6a]OO)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]S)	N[6](C[6]C[6a]N[6])(SC[6a]OO)(N[6]C[6]){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]S){1|N<2>,1|S<4>,3|C<3>}	116.9060	1.297	3	116.9060	1.683	3	116.9060	1.683	3	124.0208	9.735	20	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	3:4:2:	4:3:1:	3:3:	C[6]-3:C-4:N[6]-2:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6])	C[6](C[6]C[6]HH)(N[6]N[6]C)(O)	N[6](C[6]C[5a]C[6])(N[6]C[6]C)	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(O){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	125.7390	0.000	1	125.7390	0.000	1	125.7390	0.000	1	125.7390	0.000	1	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP2_SP2_SP2	N[6]	C[6]	N[6]	4:3:2:	3:4:1:	3:3:	C[6]-4:C[6]-3:N[6]-2:	N[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]C[6])(N[6]C[6]2)	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	123.7300	0.000	1	123.7300	0.000	1	123.7300	0.000	1	123.7300	0.000	1	123.6337	10.857	268	123.6347	10.782	270
856	762	914	6:SP3_SP2_SP2	N[6,6]	C[6,6]	N[6]	3:4:2:	3:3:2:	3:3:	C[6,6]-3:C[6]-4:N[6]-2:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6])	N[6](N[6,6]C[6,6]C[6])(C[6]C[6a]C[6])	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:2:2:	3:3:	C[6]-3:N[6]-2:H-1:	N[6]-3:S[6]-2:N-2:	C[6]-3:N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NN)	N[6](C[6]C[5a]C[6])(N[6]C[6]H)	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	125.9640	0.000	1	125.9640	0.000	1	125.9640	0.000	1	125.9640	0.000	1	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<2>,2|C<4>,3|C<3>}	117.9310	0.000	1	117.9310	0.000	1	114.9094	3.248	9	114.9094	3.248	9	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){1|Cl<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	114.1460	0.000	1	115.6413	4.642	3	114.9094	3.248	9	114.9094	3.248	9	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|N<2>,4|C<3>}	118.1110	0.000	1	115.6413	4.642	3	114.9094	3.248	9	114.9094	3.248	9	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	114.6670	0.000	1	115.6413	4.642	3	114.9094	3.248	9	114.9094	3.248	9	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	113.7535	0.056	2	113.9640	0.110	4	114.9094	3.248	9	114.9094	3.248	9	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	114.1745	0.387	2	113.9640	0.110	4	114.9094	3.248	9	114.9094	3.248	9	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:1:	3:3:2:	3:3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]N[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<3>,1|N<3>,2|N<2>}	C[6](C[6a]N[6a]2)(N[6]N[6]H)(N[6]N[6]){1|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,3|N<2>}	113.4740	0.000	1	113.4740	0.000	1	114.9094	3.248	9	114.9094	3.248	9	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:3:	3:3:2:	3:3:	C[6]-3:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|N<2>,4|C<3>}	114.5750	0.000	1	114.5750	0.000	1	114.5750	0.000	1	114.5750	0.000	1	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|C<3>,1|H<1>}	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	120.9510	0.000	1	120.9510	0.000	1	120.8270	0.031	2	120.8270	0.031	2	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:2:4:	3:3:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C[6](N[6]N[6]C)2(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]N[6]C)2(O){1|C<3>,1|C<4>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	120.7030	0.000	1	120.7030	0.000	1	120.8270	0.031	2	120.8270	0.031	2	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	C[6](N[6]C[6a]N[6])(N[6]N[6])(CCO)	N[6](N[6]C[6a]C[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]N[6])(N[6]N[6])(CCO){4|C<3>}	N[6](N[6]C[6a]C[6])(C[6]N[6]C){1|N<2>,4|C<3>}	113.4550	0.021	2	113.4550	0.000	2	113.4550	0.000	2	113.4550	0.000	2	116.5021	14.405	16	116.6010	13.671	17
856	762	914	6:SP3_SP2_SP2	N[6]	C[6]	N[6]	3:4:2:	3:3:1:	3:3:	C[6]-3:S-4:N[6]-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]N[6]S)(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]S)	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6]){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]S){3|C<3>,3|H<1>}	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	116.5021	14.405	16	116.6010	13.671	17