874	622	643	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6,6a]	3:3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	O[6](B[6,6]C[6,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](B[6,6]C[6,6a]N[5,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|B<4>,1|N<3>,2|H<1>,8|C<3>}	O[6](B[6,6]C[6,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](B[6,6]C[6,6a]N[5,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	109.1625	1.056	2	109.1625	1.115	2	109.1625	1.115	2	109.0993	5.724	6	109.0993	5.724	6	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6,6a]	3:3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6,6a]-3:C[6a]-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])	O[6](B[6,6]C[6,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](B[6,6]C[6,6a]N[6,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]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]){1|B<4>,3|H<1>,8|C<3>}	O[6](B[6,6]C[6,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](B[6,6]C[6,6a]N[6,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	109.0678	3.027	4	109.0678	9.164	4	109.0678	9.164	4	109.0993	5.724	6	109.0993	5.724	6	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6a]	2:3:2:2:	4:3:	4:3:3:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6])	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]F)2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{2|F<1>,2|O<2>,5|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6]){1|B<4>,5|C<3>}	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]F)2{1|B<4>,2|F<1>,3|C<3>}	108.4881	2.215	12	108.4881	4.905	12	108.5949	3.432	20	108.5949	3.432	20	110.2552	7.078	33	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6a]	2:3:2:2:	4:3:	4:3:3:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	108.8358	1.742	4	108.8358	3.035	4	108.5949	3.432	20	108.5949	3.432	20	110.2552	7.078	33	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6a]	2:3:2:2:	4:3:	4:3:3:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|H<1>,1|I<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|B<4>,2|H<1>,3|C<3>}	108.6748	0.762	4	108.6748	0.581	4	108.5949	3.432	20	108.5949	3.432	20	110.2552	7.078	33	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	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>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	112.6625	1.927	2	112.6625	3.713	2	113.2130	0.875	10	113.2130	0.875	10	110.2552	7.078	33	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)2	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>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	113.3506	0.698	8	113.3506	0.487	8	113.2130	0.875	10	113.2130	0.875	10	110.2552	7.078	33	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6a]C[6a]H)2	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	110.2552	7.078	33	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](B[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2{6|C<3>,6|H<1>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,5|C<3>}	C[6a](B[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	111.2630	2.485	2	111.2630	6.174	2	111.2630	6.174	2	111.2630	6.174	2	110.2552	7.078	33	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	110.1150	0.216	2	110.1150	0.047	2	108.4574	6.427	9	108.4574	6.427	9	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	105.5440	0.154	2	106.4218	1.949	4	108.4574	6.427	9	108.4574	6.427	9	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	107.2995	1.655	2	106.4218	1.949	4	108.4574	6.427	9	108.4574	6.427	9	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	108.5490	1.366	2	108.5490	1.866	2	108.4574	6.427	9	108.4574	6.427	9	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.1020	0.000	1	113.1020	0.000	1	108.4574	6.427	9	108.4574	6.427	9	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2O[6])	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6]){1|O<2>,5|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2O[6]){1|N<3>,2|C<4>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	108.1000	0.692	2	108.1000	0.478	2	108.1000	0.478	2	108.1000	0.478	2	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:B[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]B[6])2	O[6](B[6]C[6a]2O[6])(B[6]C[6a]O[6])	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]B[6])2{1|O<2>,4|F<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(B[6]C[6a]O[6]){1|B<4>,6|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{1|B<3>,1|B<4>,2|F<1>,3|C<3>}	111.6587	2.385	4	111.6587	5.690	4	111.6587	5.690	4	109.0585	3.271	64	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6])	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,6|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	108.4695	1.408	20	108.4695	1.983	20	108.8851	2.715	60	109.0585	3.271	64	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]C)	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]C){6|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	110.0920	1.071	2	110.0920	1.146	2	108.8851	2.715	60	109.0585	3.271	64	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{2|O<2>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	108.7255	2.182	4	108.7255	4.762	4	108.8851	2.715	60	109.0585	3.271	64	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	108.7275	0.742	2	108.5267	0.995	6	108.8851	2.715	60	109.0585	3.271	64	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{2|O<2>,4|H<1>,5|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	108.4262	1.198	4	108.5267	0.995	6	108.8851	2.715	60	109.0585	3.271	64	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|F<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	109.4734	2.068	20	109.4734	4.279	20	108.8851	2.715	60	109.0585	3.271	64	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	108.4303	0.890	4	108.5001	0.778	8	108.8851	2.715	60	109.0585	3.271	64	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){8|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	108.5700	1.005	4	108.5001	0.778	8	108.8851	2.715	60	109.0585	3.271	64	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:N[6]-3:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	108.4355	3.470	2	108.4355	12.039	2	108.4355	12.039	2	108.4355	12.039	2	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.5000	2.241	4	110.5000	5.020	4	109.1970	6.789	24	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.3680	3.444	2	108.3680	11.858	2	109.1970	6.789	24	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,5|C<3>}	110.3615	2.235	2	110.3615	4.996	2	109.1970	6.789	24	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	107.2270	4.714	2	108.8181	8.221	14	109.1970	6.789	24	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.3780	1.636	2	108.8181	8.221	14	109.1970	6.789	24	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|S<2>,4|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.0244	2.903	10	108.8181	8.221	14	109.1970	6.789	24	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,8|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[5,6]C[6a]2){9|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.9080	2.072	2	108.9080	4.292	2	109.1970	6.789	24	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	111.0800	1.008	2	111.0800	1.017	2	108.0823	9.526	6	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	106.5835	2.560	4	106.5835	6.552	4	108.0823	9.526	6	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6])	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2)	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.6350	0.532	2	109.6350	0.283	2	109.6350	0.283	2	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]C[6a]2)	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]C[6a]2){1|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.0195	1.307	2	110.0195	1.709	2	110.0195	1.709	2	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|C<4>,8|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.5135	3.053	2	108.5380	3.369	4	107.8476	2.425	10	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|H<1>,8|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.5625	0.886	2	108.5380	3.369	4	107.8476	2.425	10	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6]){9|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	106.0275	0.562	2	106.0275	0.316	2	107.8476	2.425	10	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6]){9|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.0673	0.945	4	108.0673	0.893	4	107.8476	2.425	10	108.7956	5.765	44	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){1|C<4>,8|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	103.3375	2.890	2	103.3280	3.110	4	105.7122	7.318	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){2|C<4>,7|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	103.3185	0.989	2	103.3280	3.110	4	105.7122	7.318	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6]C)	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6]C){1|C<4>,1|N<2>,5|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	107.8705	2.517	4	107.8705	6.333	4	105.7122	7.318	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]C[6]){1|C<4>,1|N<2>,7|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	108.1625	2.312	2	108.1625	5.343	2	105.7122	7.318	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){2|C<4>,7|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	105.2126	2.247	8	105.2126	5.050	8	105.7122	7.318	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6])	O[6](B[6]C[6a]2O[6])(C[6]C[6a]O[6])	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6]){1|O<2>,4|F<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,6|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{1|B<4>,1|H<1>,2|F<1>,4|C<3>}	109.0042	3.234	4	109.0042	10.461	4	109.0042	10.461	4	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6]){1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	107.7665	2.241	2	108.1502	4.521	6	108.1502	4.521	6	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6]){9|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.3420	2.390	4	108.1502	4.521	6	108.1502	4.521	6	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[5]-3:C[6a]-3:O[6]-3:O[6]-2:	B[6]-4:B[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6]B[6]Ru)(O[6]B[6])	O[6](B[6]C[6a]N[5]O[6])(B[6]C[6a]O[6])	C[6a](B[6]N[5]O[6]2)(C[6a]C[6a]H)2	B[6](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6]B[6]Ru)(O[6]B[6]){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	O[6](B[6]C[6a]N[5]O[6])(B[6]C[6a]O[6]){1|Ru<9>,1|B<4>,1|N<3>,5|C<3>}	C[6a](B[6]N[5]O[6]2)(C[6a]C[6a]H)2{1|Ru<9>,1|B<3>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	112.2535	0.390	2	112.2535	0.152	2	112.2535	0.152	2	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C){1|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.6790	2.041	2	109.6790	4.164	2	109.3127	2.431	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]){1|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.3454	1.567	10	109.2669	2.458	16	109.3127	2.431	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]){1|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.0730	2.036	4	109.2669	2.458	16	109.3127	2.431	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]){9|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.2620	1.458	2	109.2669	2.458	16	109.3127	2.431	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6]C)	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6]C){1|N<2>,6|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.2635	1.339	2	108.2635	1.792	2	105.3573	6.107	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){1|C<4>,8|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	105.0142	2.364	14	104.9941	5.535	16	105.3573	6.107	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){9|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	104.8530	3.212	2	104.9941	5.535	16	105.3573	6.107	18	107.2167	8.838	66	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:4:2:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]P[6,6]O[6])(B[6]C[6a]2C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	O[6](C[6,6]P[6,6]O[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	105.1362	2.717	4	105.1362	7.380	4	105.1362	7.380	4	105.1362	7.380	4	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:4:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]O)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<2>,4|F<1>,6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	105.6820	3.451	2	105.6820	11.907	2	105.3606	6.334	8	105.3606	6.334	8	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:4:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6a]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){4|F<1>,7|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,5|C<3>}	105.8805	3.022	4	105.8805	9.130	4	105.3606	6.334	8	105.3606	6.334	8	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	3:3:4:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]P[6]O)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<3>,2|H<1>,4|C<3>,4|F<1>}	O[6](B[6]C[6a]2C[6])(C[6]P[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	103.9995	0.223	2	103.9995	0.050	2	105.3606	6.334	8	105.3606	6.334	8	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>,4|F<1>}	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	103.7220	1.638	2	103.7220	2.682	2	105.6571	11.185	10	105.6571	11.185	10	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[5,6]O)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	106.4235	6.145	2	106.4235	37.767	2	105.6571	11.185	10	105.6571	11.185	10	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6,6]C)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6,6]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	107.5680	5.808	2	107.5680	33.735	2	105.6571	11.185	10	105.6571	11.185	10	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]O[6]N)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<2>,4|F<1>,7|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]O[6]N){1|H<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	105.5110	1.921	2	105.5110	3.688	2	105.6571	11.185	10	105.6571	11.185	10	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP2	B[6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]O[6]O)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){2|O<2>,4|F<1>,7|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]O[6]O){1|H<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	105.0610	2.465	2	105.0610	6.076	2	105.6571	11.185	10	105.6571	11.185	10	108.0012	7.429	209	108.3277	7.890	248
874	622	643	0:SP3_SP2_SP3	B[3x6]	O[6,6]	C[6a]	2:2:2:3:	4:3:	4:3:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	B[3x6]-4:N[4x6]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	C[6a](B[3x6]O[6,6]3)(C[6a]C[6a]H)2	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2){2|C<3>,2|H<1>,3|C<4>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){2|C<3>,2|N<3>,4|C<4>}	C[6a](B[3x6]O[6,6]3)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|N<3>}	109.6775	0.971	6	110.1011	1.364	8	110.1011	1.364	8	110.1011	1.364	8	109.8292	1.859	9	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[3x6]	O[6,6]	C[6a]	2:2:2:3:	4:3:	4:3:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	B[3x6]-4:N[4x6]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	C[6a](B[3x6]O[6,6]3)(C[6a]C[6a]H)2	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){1|N<3>,1|N<4>,2|C<3>,4|C<4>}	C[6a](B[3x6]O[6,6]3)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|H<1>,2|N<3>}	111.3720	0.728	2	110.1011	1.364	8	110.1011	1.364	8	110.1011	1.364	8	109.8292	1.859	9	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[3x6]	O[6,6]	C[6a]	2:2:2:3:	4:4:	4:3:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	B[3x6]-4:N[4x6]-4:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H)	C[6a](B[3x6]O[6,6]3)(C[6a]C[6a]H)2	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H){2|C<3>,2|N<3>,4|C<4>}	C[6a](B[3x6]O[6,6]3)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|H<1>,2|N<3>}	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	109.8292	1.859	9	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6,6]	O[6,6]	C[6a]	2:3:2:2:	4:4:	4:3:3:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:B[6,6]-4:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6,6](B[6,6]C[6a]O[6]2)2	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6,6](B[6,6]C[6a]O[6]2)2{6|C<3>}	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	117.6525	0.906	2	117.6525	0.820	2	117.5637	0.964	10	117.5637	0.964	10	117.5637	0.964	10	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6,6]	O[6,6]	C[6a]	2:3:2:2:	4:4:	4:3:3:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:B[6,6]-4:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6,6](B[6,6]C[6a]O[6]2)2	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]F)2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{2|F<1>,2|O<2>,5|C<3>}	O[6,6](B[6,6]C[6a]O[6]2)2{6|C<3>}	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]F)2{1|B<4>,2|F<1>,3|C<3>}	117.2908	1.119	6	117.2908	1.251	6	117.5637	0.964	10	117.5637	0.964	10	117.5637	0.964	10	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6,6]	O[6,6]	C[6a]	2:3:2:2:	4:4:	4:3:3:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:B[6,6]-4:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6,6](B[6,6]C[6a]O[6]2)2	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|H<1>,1|I<1>,2|C<4>,2|O<2>,3|C<3>}	O[6,6](B[6,6]C[6a]O[6]2)2{6|C<3>}	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|B<4>,2|H<1>,3|C<3>}	118.2935	0.269	2	118.2935	0.073	2	117.5637	0.964	10	117.5637	0.964	10	117.5637	0.964	10	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6,6]	O[6]	C[6a]	4:3:2:2:	4:4:	4:3:3:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-4:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH)	C[6a](B[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2{10|H<1>,2|C<3>,2|C<4>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6a](B[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	112.0712	4.049	4	112.0712	16.395	4	112.0712	16.395	4	112.0712	16.395	4	112.0712	16.395	4	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:2:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-2:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6]){3|C<4>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	107.2237	0.228	4	107.2237	0.052	4	107.2237	0.052	4	108.1361	3.748	10	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:2:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]B[6])2	O[6](B[6]C[6a]2O[6])2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]B[6])2{1|O<2>,4|F<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])2{1|B<3>,8|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{1|B<3>,1|B<4>,2|F<1>,3|C<3>}	107.9523	2.586	4	107.9523	6.689	4	107.9523	6.689	4	108.1361	3.748	10	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:2:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6])	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO)	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6]){1|O<2>,5|H<1>,6|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO){6|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	110.3285	0.653	2	110.3285	0.426	2	110.3285	0.426	2	108.1361	3.748	10	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:3:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:O[6]-2:	B[6]-4:P[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6])	O[6](B[6]C[6a]2C[6])(P[6]C[6a]2C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6]){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	O[6](B[6]C[6a]2C[6])(P[6]C[6a]2C[6]){1|C<4>,2|H<1>,9|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,4|C<3>}	102.6295	1.046	2	102.6295	1.094	2	102.6295	1.094	2	108.2598	18.025	10	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:3:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H)	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	105.9750	3.144	2	105.9750	9.883	2	105.9750	9.883	2	108.2598	18.025	10	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:3:2:	4:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]HH)	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	110.8355	2.594	4	110.8355	6.728	4	110.8982	7.128	6	108.2598	18.025	10	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:3:2:	4:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H)	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H){2|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	111.0235	3.925	2	111.0235	15.407	2	110.8982	7.128	6	108.2598	18.025	10	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:4:2:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	S[6,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6])	O[6](S[6,6]P[6,6]O[6])(B[6]C[6a]2C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	O[6](S[6,6]P[6,6]O[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,2|H<1>,3|C<3>}	105.6047	2.513	4	105.6047	6.317	4	105.6047	6.317	4	105.6047	6.317	4	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:4:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6])	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6]){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6]){1|C<4>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	107.6655	4.065	2	107.6655	16.526	2	107.6655	16.526	2	107.6655	16.526	2	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|P<4>,3|C<4>,4|C<3>,4|F<1>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.8603	0.500	4	107.7147	0.171	8	107.5874	1.935	14	107.7673	2.777	16	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,3|C<4>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.3780	0.305	2	107.7147	0.171	8	107.5874	1.935	14	107.7673	2.777	16	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>,4|F<1>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.7605	0.189	2	107.7147	0.171	8	107.5874	1.935	14	107.7673	2.777	16	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|P<4>,2|H<1>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.0570	1.242	2	107.1590	1.259	4	107.5874	1.935	14	107.7673	2.777	16	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.2610	1.481	2	107.1590	1.259	4	107.5874	1.935	14	107.7673	2.777	16	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH){1|C<4>,2|H<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.9345	4.368	2	107.9345	19.078	2	107.5874	1.935	14	107.7673	2.777	16	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:4:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-4:O[6]-2:	B[6]-4:N[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6])	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH)	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6]){1|B<4>,1|C<4>,4|C<3>,5|H<1>}	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|O<2>,3|C<3>,3|H<1>}	109.0265	3.589	2	109.0265	12.878	2	109.0265	12.878	2	107.7673	2.777	16	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	4:3:3:2:	4:4:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H)	C[6a](B[6]C[5,6,6]C[6a]O[6])(C[6a]C[6a]F)2	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|P<4>,3|C<4>,3|H<1>,4|F<1>,5|C<3>}	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H){1|H<1>,2|C<4>,8|C<3>}	C[6a](B[6]C[5,6,6]C[6a]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>,3|C<4>}	106.6195	0.622	2	106.6195	0.386	2	106.6195	0.386	2	107.0093	11.083	4	107.6961	7.354	46	109.6581	18.077	69
874	622	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	4:3:3:2:	4:4:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6])	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,4|F<1>,5|C<3>}	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6]){1|C<4>,3|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.3990	5.679	2	107.3990	32.257	2	107.3990	32.257	2	107.0093	11.083	4	107.6961	7.354	46	109.6581	18.077	69
874	622	643	6:SP3_SP2_SP2	B[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2	O[6](B[6]C[6,6a]FF)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]O[6]FF)	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2{1|H<1>,2|C<3>,2|N<3>}	O[6](B[6]C[6,6a]FF)(C[6]N[6]N){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]O[6]FF){2|C<3>,3|H<1>}	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1
874	622	643	6:SP3_SP2_SP3	B[3x6]	O[6,6]	C[6,6,6a]	3:3:2:3:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[5]-3:	B[3x6]-4:O[6,6]-2:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2)	O[6,6](B[3x6]C[6,6,6a]2C[5])(O[6,6]B[3x6])	C[6,6,6a](B[3x6]C[6,6,6a]O[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2){1|B<4>,2|H<1>,8|C<3>}	O[6,6](B[3x6]C[6,6,6a]2C[5])(O[6,6]B[3x6]){2|N<3>,5|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]O[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	109.2425	2.067	4	109.2425	4.273	4	109.2425	4.273	4	109.2425	4.273	4	109.2425	4.273	4	109.2425	4.273	4
874	622	762	0:SP3_SP2_SP2	B[6,6]	O[6]	C[6]	3:3:2:3:	4:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6]-3:C[6]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,5|C<3>}	112.2710	0.000	1	112.2710	0.000	1	112.2710	0.000	1	112.2710	0.000	1	112.2710	0.000	1	109.4913	6.011	3
874	622	762	0:SP3_SP2_SP2	B[6]	O[6]	C[6]	3:3:2:2:	4:3:	4:3:3:	C[6]-3:O[6]-3:O[6]-2:O-2:	B[6]-4:B[6]-3:	B[6]-4:N[6]-3:C[6]-3:	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH)	O[6](B[6]C[6]O[6]O)(B[6]O[6]O)	C[6](B[6]O[6]2O)(N[6]C[6]Ir)(C[6]C[6]H)	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH){1|H<1>,3|C<3>,3|O<2>}	O[6](B[6]C[6]O[6]O)(B[6]O[6]O){1|Ir<8>,1|B<4>,1|C<3>,1|N<3>}	C[6](B[6]O[6]2O)(N[6]C[6]Ir)(C[6]C[6]H){1|B<3>,1|B<4>,1|C<3>,2|H<1>}	108.1015	0.657	2	108.1015	0.432	2	108.1015	0.432	2	108.1015	0.432	2	108.1015	0.432	2	109.4913	6.011	3
874	622	762	6:SP3_SP2_SP3	B[6]	O[6]	C[6]	3:3:3:2:	4:4:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:O[6]-2:	B[6]-4:P[6]-4:	B[6]-4:C[6]-4:C-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6])	O[6](B[6]C[6a]2C[6])(P[6]C[6a]2C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(CC[6a]Si)	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6]){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	O[6](B[6]C[6a]2C[6])(P[6]C[6a]2C[6]){1|C<4>,2|H<1>,9|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(CC[6a]Si){1|P<4>,2|H<1>,4|C<3>}	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1
874	622	813	0:SP3_SP2_SP2	B[3x6]	O[6]	N[5a,6,6]	3:3:2:2:	4:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	B[3x6]-4:C[6,6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	115.4955	0.257	2	114.0656	1.852	8	114.0656	1.852	8	114.0656	1.852	8	114.0656	1.852	8	113.7622	1.920	12
874	622	813	0:SP3_SP2_SP2	B[3x6]	O[6]	N[5a,6,6]	3:3:2:2:	4:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	B[3x6]-4:C[6,6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	113.5890	1.220	6	114.0656	1.852	8	114.0656	1.852	8	114.0656	1.852	8	114.0656	1.852	8	113.7622	1.920	12
874	622	813	0:SP3_SP2_SP2	B[6,6]	O[6]	N[5a,6]	3:3:2:1:	4:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	B[6,6]-4:C[5a,6]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a])	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,5|C<3>}	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2){1|H<1>,1|S<2>,5|C<3>}	115.1680	0.000	1	115.1680	0.000	1	115.1680	0.000	1	115.1680	0.000	1	113.1552	1.983	4	113.7622	1.920	12
874	622	813	0:SP3_SP2_SP2	B[6,6]	O[6]	N[5a,6]	3:3:2:3:	4:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	113.1552	1.983	4	113.7622	1.920	12
874	622	813	0:SP3_SP2_SP2	B[6,6]	O[6]	N[5a,6]	3:3:2:4:	4:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a])	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	111.9150	0.000	1	111.9150	0.000	1	111.9150	0.000	1	111.9150	0.000	1	113.1552	1.983	4	113.7622	1.920	12
874	622	813	0:SP3_SP2_SP2	B[6,6]	O[6]	N[5a,6]	3:3:3:2:	4:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a])	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	112.5940	0.000	1	112.5940	0.000	1	112.5940	0.000	1	112.5940	0.000	1	113.1552	1.983	4	113.7622	1.920	12
874	622	813	6:SP3_SP2_SP2	B[3x6]	O[6]	N[5a,6,6]	3:3:2:2:	4:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	B[3x6]-4:C[6,6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	106.6120	0.687	2	107.0371	0.186	7	107.0371	0.186	7	107.0371	0.186	7	107.0371	0.186	7	106.7375	3.641	15
874	622	813	6:SP3_SP2_SP2	B[3x6]	O[6]	N[5a,6,6]	3:3:2:2:	4:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	B[3x6]-4:C[6,6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	107.2072	0.185	5	107.0371	0.186	7	107.0371	0.186	7	107.0371	0.186	7	107.0371	0.186	7	106.7375	3.641	15
874	622	813	6:SP3_SP2_SP2	B[6,6]	O[6]	N[5a,6,6]	3:3:2:1:	4:3:	3:4:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	B[6,6]-4:C[5a,6]-3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a])	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,5|C<3>}	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6]){1|H<1>,1|S<2>,4|C<3>}	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	106.4880	1.479	4	106.7375	3.641	15
874	622	813	6:SP3_SP2_SP2	B[6,6]	O[6]	N[5a,6,6]	3:3:2:3:	4:3:	3:4:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	B[6,6]-4:C[6,6a]-3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.4880	1.479	4	106.7375	3.641	15
874	622	813	6:SP3_SP2_SP2	B[6,6]	O[6]	N[5a,6,6]	3:3:2:4:	4:3:	3:3:4:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	B[6,6]-4:C[6,6a]-3:	C[5a,6]-3:C[5a,6]-3:B[6,6]-4:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C){1|H<1>,6|C<3>}	105.7520	0.000	1	105.7520	0.000	1	105.7520	0.000	1	105.7520	0.000	1	106.4880	1.479	4	106.7375	3.641	15
874	622	813	6:SP3_SP2_SP2	B[6,6]	O[6]	N[5a,6,6]	3:3:3:2:	4:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a,6]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	105.4960	0.000	1	105.4960	0.000	1	105.4960	0.000	1	105.4960	0.000	1	106.4880	1.479	4	106.7375	3.641	15
874	622	813	6:SP3_SP2_SP2	B[6]	O[6]	N[5a,6]	3:2:1:1:	3:4:	3:3:4:	N[5a,6]-3:O[6]-2:F-1:F-1:	C[4,6]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2	O[6](C[4,6]C[4,6]C[4])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF)	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2{1|C<4>,4|C<3>}	O[6](C[4,6]C[4,6]C[4])(B[6]N[5a,6]FF){4|C<3>}	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF){2|C<3>,2|C<4>}	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	106.4627	14.746	4	106.7375	3.641	15
874	622	813	6:SP3_SP2_SP2	B[6]	O[6]	N[5a,6]	3:3:3:2:	3:4:	3:3:4:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5a,6]-3:C[5,5a]-3:B[6]-4:	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]S[5a])(C[5,5a]C[5,5a]S[5])(B[6]C[6a]2O[6])	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2){1|H<1>,8|C<3>}	N[5a,6](C[5a,6]C[6,6a]S[5a])(C[5,5a]C[5,5a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	102.4260	0.000	1	102.4260	0.000	1	102.4260	0.000	1	102.4260	0.000	1	106.4627	14.746	4	106.7375	3.641	15
874	622	813	6:SP3_SP2_SP2	B[6]	O[6]	N[5a,6]	3:3:3:2:	3:4:	3:4:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2){1|H<1>,8|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,6|C<3>}	105.8300	0.000	1	105.8715	0.003	2	105.8715	0.003	2	105.8715	0.003	2	106.4627	14.746	4	106.7375	3.641	15
874	622	813	6:SP3_SP2_SP2	B[6]	O[6]	N[5a,6]	3:3:3:2:	3:4:	3:4:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5a,6]C[6a]2){1|H<1>,8|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){2|C<4>,6|C<3>}	105.9130	0.000	1	105.8715	0.003	2	105.8715	0.003	2	105.8715	0.003	2	106.4627	14.746	4	106.7375	3.641	15
874	622	818	0:SP3_SP2_SP3	B[3x6]	O[6,6]	C[5]	3:3:2:3:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[5]-3:	B[3x6]-4:O[6,6]-2:	B[3x6]-4:N[5]-3:N[5]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2)	O[6,6](B[3x6]C[6,6,6a]2C[5])(O[6,6]B[3x6])	C[5](B[3x6]C[6,6,6a]2O[6,6])(N[5]C[6a]C[5])2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2){1|B<4>,2|H<1>,8|C<3>}	O[6,6](B[3x6]C[6,6,6a]2C[5])(O[6,6]B[3x6]){2|N<3>,5|C<3>}	C[5](B[3x6]C[6,6,6a]2O[6,6])(N[5]C[6a]C[5])2{1|O<2>,2|H<1>,8|C<3>}	100.1882	3.419	2	100.1882	11.692	2	100.1882	11.692	2	100.1882	11.692	2	100.1882	11.692	2	100.1882	11.692	2
874	622	818	6:SP3_SP2_SP2	B[6]	O[6]	C[5,6]	3:2:4:4:	3:4:	3:3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:B[6]-4:	N[5,6]-3:N[5]-3:B[6]-4:	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]CC)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]N[5])(B[6]O[6]CC)	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2{1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]CC){1|H<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]N[5])(B[6]O[6]CC){1|H<1>,4|C<3>}	102.2920	0.071	2	102.2920	0.005	2	102.2920	0.005	2	102.2920	0.005	2	102.2920	0.005	2	102.2920	0.005	2
874	622	818	6:SP3_SP2_SP3	B[6]	O[6]	C[5,6]	3:2:4:4:	4:4:	3:3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	C[6]-4:B[6]-4:	N[5,6]-3:N[5]-3:B[6]-4:	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]O[6]CC)	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC){2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]O[6]CC){2|C<3>,2|H<1>,3|C<4>}	105.6540	0.000	1	105.6540	0.000	1	105.6540	0.000	1	105.6540	0.000	1	105.9440	0.168	2	105.9440	0.168	2
874	622	818	6:SP3_SP2_SP3	B[6]	O[6]	C[5,6]	3:2:4:4:	4:4:	3:4:3:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C[6]-4:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2	O[6](B[6]C[5,6]CC)(C[6]C[6]CH)	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H)	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[6](B[6]C[5,6]CC)(C[6]C[6]CH){1|C<3>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H){2|C<4>,3|H<1>}	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	105.9440	0.168	2	105.9440	0.168	2
874	622	830	0:SP3_SP-NON_SP2	B[6,6]	O[6]	F	3:2:2:1:	4:3:	4:	N[3x6]-3:O[6]-2:O[6]-2:F-1:	B[6,6]-4:C[6]-3:	B[6,6]-4:	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F)	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6])	F(B[6,6]N[3x6]O[6]2)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F){2|N<2>,4|C<3>}	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6]){5|C<3>}	F(B[6,6]N[3x6]O[6]2)	110.3432	0.233	4	110.3432	0.054	4	110.3432	0.054	4	110.3432	0.054	4	110.0306	0.529	5	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6,6]	O[6]	F	3:3:2:1:	4:3:	4:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	B[6,6]-4:C[5a,6]-3:	B[6,6]-4:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a])	F(B[6,6]N[5a,6,6]N[5a,6]O[6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	O[6](B[6,6]N[5a,6,6]N[5a,6]F)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,5|C<3>}	F(B[6,6]N[5a,6,6]N[5a,6]O[6])	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	110.0306	0.529	5	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF){1|C<3>,1|O<1>,2|C<4>}	F(B[6]O[6]2F)	109.9770	0.406	2	110.1358	4.886	4	109.4650	4.265	6	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	F(B[6]O[6]2F)	110.2945	3.794	2	110.1358	4.886	4	109.4650	4.265	6	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6,6]C[6,6]N[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|C<3>,1|C<4>,1|N<3>}	O[6](C[6,6]C[6,6]N[6])(B[6]O[6]FF){1|C<4>,1|H<1>,2|C<3>}	F(B[6]O[6]2F)	108.1235	1.126	2	108.1235	1.269	2	109.4650	4.265	6	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	F(B[6]O[6]2F)	110.5345	1.636	2	110.7993	1.259	6	109.6665	2.705	14	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	F(B[6]O[6]2F)	110.9317	1.066	4	110.7993	1.259	6	109.6665	2.705	14	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6,6a]C[6,6a]N[6a])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(B[6]O[6]FF){1|C<4>,3|C<3>}	F(B[6]O[6]2F)	106.7710	1.732	2	106.7710	3.001	2	109.6665	2.705	14	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF){4|C<3>}	F(B[6]O[6]2F)	109.4988	0.496	6	109.4988	0.246	6	109.6665	2.705	14	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6,6]C)(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|C<3>,1|C<4>,1|N<3>}	O[6](C[6]C[6,6]C)(B[6]O[6]FF){1|C<3>,1|C<4>}	F(B[6]O[6]2F)	109.6555	1.005	2	109.6555	1.010	2	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6,6]O)(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	O[6](C[6]C[6,6]O)(B[6]O[6]FF){1|C<3>,1|C<4>}	F(B[6]O[6]2F)	107.0025	0.074	2	107.0198	2.091	4	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6,6]O)(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	O[6](C[6]C[6,6]O)(B[6]O[6]FF){1|C<3>,1|N<3>}	F(B[6]O[6]2F)	107.0370	2.503	2	107.0198	2.091	4	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<3>,2|C<3>}	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	F(B[6]O[6]2F)	110.1030	3.213	2	107.9570	2.520	12	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	F(B[6]O[6]2F)	107.5278	0.839	10	107.9570	2.520	12	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6]C[6,6a]N)(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<4>,2|C<3>}	O[6](C[6]C[6,6a]N)(B[6]O[6]FF){2|C<3>}	F(B[6]O[6]2F)	106.6035	1.313	2	106.6035	1.724	2	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	O[6](C[6]C[5]C[6])(B[6]O[6]FF){1|Fe<10>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	F(B[6]O[6]2F)	108.1250	0.267	2	108.3064	0.593	8	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	O[6](C[6]C[5]C[6])(B[6]O[6]FF){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	F(B[6]O[6]2F)	107.7090	1.421	2	108.3064	0.593	8	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5]C[6])(B[6]O[6]FF){1|H<1>,1|N<2>,2|C<3>}	F(B[6]O[6]2F)	108.6958	0.474	4	108.3064	0.593	8	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<4>,2|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	F(B[6]O[6]2F)	108.1910	0.532	2	108.6649	0.532	232	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	F(B[6]O[6]2F)	108.6542	0.754	198	108.6649	0.532	232	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|O<2>,2|C<3>}	F(B[6]O[6]2F)	108.5377	0.331	6	108.6649	0.532	232	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	F(B[6]O[6]2F)	108.4225	0.426	6	108.6649	0.532	232	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|N<3>,1|S<2>,2|C<3>}	F(B[6]O[6]2F)	108.9287	0.599	20	108.6649	0.532	232	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<4>,2|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	F(B[6]O[6]2F)	108.5082	0.172	6	108.6246	0.475	137	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|O<2>,2|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	F(B[6]O[6]2F)	109.7570	0.240	2	108.6246	0.475	137	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|S<2>,2|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	F(B[6]O[6]2F)	109.3240	0.074	2	108.6246	0.475	137	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	F(B[6]O[6]2F)	108.6013	0.694	127	108.6246	0.475	137	108.6004	0.645	397	108.6486	0.796	417	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:2:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:N[6]-2:	B[6]-4:	B[6](O[6]C[6])(O[6]N[6])(F)2	O[6](B[6]O[6]FF)(N[6]C[6])	F(B[6]O[6]2F)	B[6](O[6]C[6])(O[6]N[6])(F)2{1|C<3>,1|N<3>}	O[6](B[6]O[6]FF)(N[6]C[6]){1|C<3>,1|H<1>}	F(B[6]O[6]2F)	109.9980	1.802	2	109.9980	3.246	2	109.9980	3.246	2	109.9980	3.246	2	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](O[6]C[6])(O[6]N[6])(F)2	O[6](B[6]O[6]FF)(C[6]C[6]N)	F(B[6]O[6]2F)	B[6](O[6]C[6])(O[6]N[6])(F)2{1|C<3>,1|N<3>}	O[6](B[6]O[6]FF)(C[6]C[6]N){1|H<1>,1|N<2>}	F(B[6]O[6]2F)	107.7130	0.144	2	107.7130	0.021	2	108.4979	0.712	37	108.4979	0.712	37	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]2)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<3>,1|C<4>,1|O<2>}	O[6](B[6]O[6]FF)(C[6]C[6]2){1|C<3>,1|H<1>,3|C<4>}	F(B[6]O[6]2F)	110.3090	0.839	2	110.3090	0.703	2	108.4979	0.712	37	108.4979	0.712	37	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	F(B[6]O[6]2F)	109.1412	0.255	4	108.6360	0.367	27	108.4979	0.712	37	108.4979	0.712	37	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	O[6](B[6]O[6]FF)(C[6]C[6]C){2|C<3>}	F(B[6]O[6]2F)	108.8286	0.331	8	108.6360	0.367	27	108.4979	0.712	37	108.4979	0.712	37	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<4>,2|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	F(B[6]O[6]2F)	108.7485	0.567	8	108.6360	0.367	27	108.4979	0.712	37	108.4979	0.712	37	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	F(B[6]O[6]2F)	107.9987	0.589	7	108.6360	0.367	27	108.4979	0.712	37	108.4979	0.712	37	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]O)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<3>,1|C<4>,1|O<2>}	O[6](B[6]O[6]FF)(C[6]C[6]O){1|C<3>,1|C<4>}	F(B[6]O[6]2F)	107.6175	0.019	2	107.2998	0.253	4	108.4979	0.712	37	108.4979	0.712	37	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]O)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|O<2>,2|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]O){1|C<3>,1|H<1>}	F(B[6]O[6]2F)	106.9820	0.597	2	107.2998	0.253	4	108.4979	0.712	37	108.4979	0.712	37	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]S)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|S<2>,2|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]S){1|C<3>,1|H<1>}	F(B[6]O[6]2F)	108.0035	0.202	2	108.0035	0.041	2	108.4979	0.712	37	108.4979	0.712	37	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:2:3:1:	3:4:	4:	O[6]-2:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF)	F(B[6]O[6]2C)	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F){3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF){1|H<1>,1|N<3>,2|C<3>}	F(B[6]O[6]2C)	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:3:1:1:	3:4:	4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF){1|C<4>,4|C<3>}	F(B[6]N[6]O[6]F)	110.6788	1.066	4	110.6788	1.136	4	110.1982	1.218	32	110.1982	1.218	32	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:3:1:1:	3:4:	4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[6]O[6]F)	110.1372	1.081	18	110.1399	1.189	24	110.1982	1.218	32	110.1982	1.218	32	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:3:1:1:	3:4:	4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|Cl<1>,1|C<4>,3|C<3>}	F(B[6]N[6]O[6]F)	110.1480	1.224	6	110.1399	1.189	24	110.1982	1.218	32	110.1982	1.218	32	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	2:3:1:1:	3:4:	4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,1|N<2>,3|C<3>}	F(B[6]N[6]O[6]F)	110.0673	1.404	4	110.0673	1.971	4	110.1982	1.218	32	110.1982	1.218	32	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2{1|N<2>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF){1|N<3>,3|C<3>}	F(B[6]N[5,6]O[6]F)	108.9820	0.974	4	108.9820	0.948	4	108.9820	0.948	4	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2	O[6](C[6,6]C[6,6]N[6])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2{1|N<3>,1|S<2>,3|C<3>}	O[6](C[6,6]C[6,6]N[6])(B[6]N[5,6]FF){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	F(B[6]N[5,6]O[6]F)	108.9090	0.692	4	108.9090	0.479	4	108.9090	0.479	4	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)2{1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	F(B[6]N[5,6]O[6]F)	109.8287	1.151	6	109.8287	1.325	6	110.1085	1.047	10	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	F(B[6]N[5,6]O[6]F)	110.0720	0.402	2	110.5282	0.543	4	110.1085	1.047	10	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	F(B[6]N[5,6]O[6]F)	110.9845	0.797	2	110.5282	0.543	4	110.1085	1.047	10	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	F(B[6]N[5,6]O[6]F)	109.4548	0.470	4	109.3571	0.768	18	109.6799	0.432	66	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	F(B[6]N[5,6]O[6]F)	109.8882	0.656	8	109.3571	0.768	18	109.6799	0.432	66	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	F(B[6]N[5,6]O[6]F)	108.5838	0.837	6	109.3571	0.768	18	109.6799	0.432	66	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|O<2>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	F(B[6]N[5,6]O[6]F)	109.8353	0.479	12	109.8452	0.283	22	109.6799	0.432	66	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	F(B[6]N[5,6]O[6]F)	109.7150	0.555	4	109.8452	0.283	22	109.6799	0.432	66	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){5|C<3>}	F(B[6]N[5,6]O[6]F)	109.9517	0.687	6	109.8452	0.283	22	109.6799	0.432	66	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	F(B[6]N[5,6]O[6]F)	109.7635	0.507	26	109.7635	0.257	26	109.6799	0.432	66	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[5a,6]-3:O[6]-2:F-1:F-1:	C[4,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2	O[6](C[4,6]C[4,6]C[4])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]O[6]F)	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2{1|C<4>,4|C<3>}	O[6](C[4,6]C[4,6]C[4])(B[6]N[5a,6]FF){4|C<3>}	F(B[6]N[5a,6]O[6]F)	107.0170	0.014	2	107.0170	0.000	2	107.0170	0.000	2	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6,6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2	O[6](C[6,6]C[6,6a]C[6,6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2{5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(B[6]N[6,6]FF){5|C<3>}	F(B[6]N[6,6]O[6]F)	108.4912	1.265	4	108.4912	1.601	4	108.4912	1.601	4	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	109.2640	2.619	2	109.2640	6.860	2	109.2640	6.860	2	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	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>}	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF){1|O<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	109.9895	0.319	2	109.9485	0.092	6	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	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>}	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF){4|C<3>}	F(B[6]N[6,6]O[6]F)	109.9280	0.343	4	109.9485	0.092	6	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	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>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	110.3285	0.249	8	110.3328	0.476	36	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	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>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){5|C<3>}	F(B[6]N[6,6]O[6]F)	110.4233	0.748	6	110.3328	0.476	36	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	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>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	111.2825	0.132	2	110.3328	0.476	36	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	110.1682	0.761	18	110.3328	0.476	36	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){5|C<3>}	F(B[6]N[6,6]O[6]F)	110.6095	1.037	2	110.3328	0.476	36	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	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>}	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	F(B[6]N[6,6]O[6]F)	110.0051	0.233	8	110.0051	0.054	8	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	108.8749	0.746	30	108.8749	0.557	30	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{2|N<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	F(B[6]N[6,6]O[6]F)	107.7371	0.772	8	107.7371	0.596	8	109.5438	1.178	88	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[6]O[6]F)	110.1645	0.933	2	110.1645	0.870	2	109.7506	1.713	49	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]2)(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)(B[6]N[6]FF){5|C<3>}	F(B[6]N[6]O[6]F)	108.9537	1.042	8	108.9537	1.086	8	109.7506	1.713	49	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,4|C<3>}	F(B[6]N[6]O[6]F)	110.1940	0.349	2	109.8940	1.835	37	109.7506	1.713	49	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	109.8769	1.391	35	109.8940	1.835	37	109.7506	1.713	49	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2{4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF){1|N<2>,4|C<3>}	F(B[6]N[6]O[6]F)	109.8720	1.205	2	109.8720	1.452	2	109.7506	1.713	49	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6]FF){1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	108.8370	0.494	2	108.7078	0.500	6	108.7078	0.500	6	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6]FF){5|C<3>}	F(B[6]N[6]O[6]F)	108.7605	1.279	2	108.7078	0.500	6	108.7078	0.500	6	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6]FF){1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	108.5260	0.718	2	108.7078	0.500	6	108.7078	0.500	6	109.5657	1.160	235	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2	O[6](B[6]C[6,6a]FF)(C[6]N[6]N)	F(B[6]C[6,6a]O[6]F)	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2{1|H<1>,2|C<3>,2|N<3>}	O[6](B[6]C[6,6a]FF)(C[6]N[6]N){1|H<1>,2|C<3>}	F(B[6]C[6,6a]O[6]F)	104.6025	0.593	2	104.6025	0.352	2	104.6025	0.352	2	108.2042	2.516	43	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	4:3:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]C[6]Ru)	F(B[6]N[6,6]O[6]F)	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>}	O[6](B[6]N[6,6]FF)(C[6]C[6]Ru){2|C<3>,2|H<1>}	F(B[6]N[6,6]O[6]F)	109.5835	0.633	2	109.5835	0.401	2	108.3799	1.953	41	108.2042	2.516	43	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	4:3:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]C[6]C)	F(B[6]N[6,6]O[6]F)	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>}	O[6](B[6]N[6,6]FF)(C[6]C[6]C){1|H<1>,2|C<3>}	F(B[6]N[6,6]O[6]F)	108.0491	1.222	28	108.0491	1.494	28	108.3799	1.953	41	108.2042	2.516	43	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	4:3:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	F(B[6]N[6,6]O[6]F)	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>}	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	F(B[6]N[6,6]O[6]F)	110.4755	1.792	4	109.0031	2.715	11	108.3799	1.953	41	108.2042	2.516	43	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	4:3:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	F(B[6]N[6,6]O[6]F)	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>}	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	F(B[6]N[6,6]O[6]F)	107.7076	0.262	5	109.0031	2.715	11	108.3799	1.953	41	108.2042	2.516	43	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:1:1:	4:3:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|N<2>,4|C<3>}	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	F(B[6]N[6,6]O[6]F)	109.2970	0.105	2	109.0031	2.715	11	108.3799	1.953	41	108.2042	2.516	43	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:3:1:	3:4:	4:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF)	F(B[6]N[6,6]O[6]C)	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>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]C)	108.4950	0.000	1	108.4950	0.000	1	108.4797	0.904	6	108.7333	1.204	7	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:3:1:	3:4:	4:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	F(B[6]N[6,6]O[6]C)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]C)	106.6290	0.000	1	108.4766	1.130	5	108.4797	0.904	6	108.7333	1.204	7	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:3:1:	3:4:	4:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	F(B[6]N[6,6]O[6]C)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]C)	108.9385	0.291	4	108.4766	1.130	5	108.4797	0.904	6	108.7333	1.204	7	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	3:2:3:1:	3:4:	4:	N[6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF)	F(B[6]N[6]O[6]C)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF){1|H<1>,4|C<3>}	F(B[6]N[6]O[6]C)	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	108.7333	1.204	7	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	4:2:3:1:	3:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-3:B[6]-4:	B[6]-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F)	F(B[6]C[6,6]N[6]O[6])	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>}	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F){1|H<1>,3|C<3>,3|C<4>}	F(B[6]C[6,6]N[6]O[6])	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	108.0910	0.000	2	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP2	B[6]	O[6]	F	4:2:3:1:	3:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F)	F(B[6]C[6,6]N[6]O[6])	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F){2|H<1>,3|C<3>,3|C<4>}	F(B[6]C[6,6]N[6]O[6])	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	108.0910	0.000	2	108.9622	1.283	776	108.9690	1.285	781
874	622	830	0:SP3_SP-NON_SP3	B[6]	O[6]	F	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:F-1:F-1:	P[6]-4:B[6]-4:	B[6]-4:	B[6](O[6]P[6])2(F)2	O[6](P[6]C[6a]2C[6])(B[6]O[6]FF)	F(B[6]O[6]2F)	B[6](O[6]P[6])2(F)2{1|C<4>,4|C<3>}	O[6](P[6]C[6a]2C[6])(B[6]O[6]FF){1|P<4>,2|H<1>,4|C<3>}	F(B[6]O[6]2F)	108.5925	1.115	4	108.5925	1.243	4	108.5925	1.243	4	108.5925	1.243	4	109.7833	9.618	12	109.7833	9.618	12
874	622	830	0:SP3_SP-NON_SP3	B[6]	O[6]	F	2:2:3:1:	3:4:	4:	O[6]-2:O[6]-2:C-3:F-1:	N[6,6]-3:B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F)	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF)	F(B[6]O[6]2C)	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F){3|C<3>}	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF){1|H<1>,3|C<3>}	F(B[6]O[6]2C)	104.4380	0.000	1	104.4380	0.000	1	104.4380	0.000	1	104.4380	0.000	1	109.7833	9.618	12	109.7833	9.618	12
874	622	830	0:SP3_SP-NON_SP3	B[6]	O[6]	F	2:3:1:1:	4:4:	4:	O[6]-2:N[6]-3:F-1:F-1:	C[4,6]-4:B[6]-4:	B[6]-4:	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2	O[6](C[4,6]C[4,6]2C[6a])(B[6]N[6]FF)	F(B[6]N[6]O[6]F)	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2{1|C<3>,3|C<4>}	O[6](C[4,6]C[4,6]2C[6a])(B[6]N[6]FF){2|C<4>,2|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	111.7610	2.873	6	111.7610	8.254	6	111.7610	8.254	6	111.7610	8.254	6	109.7833	9.618	12	109.7833	9.618	12
874	622	830	0:SP3_SP-NON_SP3	B[6]	O[6]	F	3:2:3:1:	4:3:	4:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:N[6]-3:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	O[6](B[6]N[6,6]CF)(N[6]C[6]C)	F(B[6]N[6,6]O[6]C)	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>}	O[6](B[6]N[6,6]CF)(N[6]C[6]C){1|O<1>,2|C<3>}	F(B[6]N[6,6]O[6]C)	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	109.7833	9.618	12	109.7833	9.618	12
874	622	854	0:SP3_SP3_SP3	B[6,6]	O[6]	N[6]	4:4:2:2:	4:4:	4:4:4:1:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-4:	B[6,6]-4:C[6]-4:C-4:H-1:	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH)	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	103.3885	0.559	2	103.3885	0.313	2	103.3885	0.313	2	103.3885	0.313	2	103.3885	0.313	2	103.3885	0.313	2
874	622	854	6:SP3_SP2_SP3	B[6,6]	O[6]	N[6,6]	4:2:2:2:	3:4:	4:4:4:4:	N[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:B[6,6]-4:	C[6]-4:C[6]-4:B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH)	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){1|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH){4|C<3>}	107.1620	1.793	2	107.1620	3.216	2	107.1620	3.216	2	107.1620	3.216	2	106.4840	2.848	4	105.8540	2.451	7
874	622	854	6:SP3_SP2_SP3	B[6,6]	O[6]	N[6,6]	4:3:2:2:	4:3:	4:4:4:4:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6]-4:C[6]-4:C-4:	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH)	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2{6|C<3>,6|H<1>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,5|C<3>}	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH){6|C<3>}	105.8060	1.868	2	105.8060	3.490	2	105.8060	3.490	2	105.8060	3.490	2	106.4840	2.848	4	105.8540	2.451	7
874	622	854	6:SP3_SP2_SP3	B[6]	O[6]	N[6]	2:4:3:3:	3:4:	4:4:1:1:	O[6]-2:N[6]-4:C-3:C-3:	C[6,6a]-3:B[6]-4:	C[6]-4:B[6]-4:H-1:H-1:	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2{2|C<3>}	105.0140	1.108	3	105.0140	1.229	3	105.0140	1.229	3	105.0140	1.229	3	105.0140	1.229	3	105.8540	2.451	7
874	622	854	6:SP3_SP3_SP3	B[6,6]	O[6]	N[6,6]	4:3:2:2:	4:4:	4:4:4:1:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH)	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2{10|H<1>,2|C<3>,2|C<4>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	106.4290	1.402	4	106.4290	1.965	4	106.4290	1.965	4	106.4290	1.965	4	106.4290	1.965	4	105.4244	6.520	5
874	622	854	6:SP3_SP3_SP3	B[6]	O[6]	N[6]	3:3:4:2:	4:4:	4:2:4:1:	C[6a]-3:C[6a]-3:N[6]-4:O[6]-2:	B[6]-4:N[6]-4:	B[6]-4:O[6]-2:C-4:H-1:	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6])	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH)	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H)	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6]){1|B<4>,1|C<4>,4|C<3>,5|H<1>}	O[6](B[6]C[6a]2N[6])(N[6]B[6]CH){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H){1|N<4>,6|C<3>}	101.4060	0.000	1	101.4060	0.000	1	101.4060	0.000	1	101.4060	0.000	1	101.4060	0.000	1	105.4244	6.520	5
874	622	856	0:SP3_SP2_SP2	B[6,6]	O[6]	N[6]	2:2:3:2:	4:3:	3:4:4:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	B[6,6]-4:B[6]-3:	C[6]-3:B[6,6]-4:C-4:	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	O[6](B[6,6]N[6]O[6]2)(B[6]C[6a]O[6])	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH)	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>}	O[6](B[6,6]N[6]O[6]2)(B[6]C[6a]O[6]){1|B<4>,1|C<4>,4|C<3>}	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH){1|B<3>,1|B<4>,2|C<3>}	105.3305	0.818	2	105.3305	0.669	2	105.3305	0.669	2	105.3305	0.669	2	108.6279	1.523	32	108.6279	1.523	32
874	622	856	0:SP3_SP2_SP2	B[6,6]	O[6]	N[6]	3:3:2:2:	3:4:	3:4:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:C-4:	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	108.8478	0.897	30	108.8478	0.805	30	108.8478	0.805	30	108.8478	0.805	30	108.6279	1.523	32	108.6279	1.523	32
874	622	856	0:SP3_SP2_SP3	B[6,6]	O[6]	N[6]	2:2:3:2:	4:4:	3:4:4:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	B[6,6]-4:B[6,6]-4:	C[6]-3:B[6,6]-4:C-4:	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	O[6](B[6,6]N[6]O[6]2)2	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH)	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>}	O[6](B[6,6]N[6]O[6]2)2{1|B<3>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH){1|B<3>,1|B<4>,2|C<3>}	108.8530	1.458	2	108.8530	2.126	2	108.8530	2.126	2	108.8530	2.126	2	108.8530	2.126	2	108.8530	2.126	2
874	622	856	6:SP3_SP2_SP2	B[3x6]	O[6]	N[6,6]	3:4:4:2:	4:3:	4:3:3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	B[3x6]-4:C[6]-3:	B[3x6]-4:C[6,6]-3:C[6]-3:	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6])	O[6](B[3x6]C[6,6]2N[6,6])(C[6]C[6]C)	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	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>}	O[6](B[3x6]C[6,6]2N[6,6])(C[6]C[6]C){2|C<3>,3|H<1>,4|C<4>}	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>}	103.7840	0.000	1	103.7840	0.000	1	103.7840	0.000	1	103.7840	0.000	1	103.7840	0.000	1	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[3x6]	O[6]	N[6]	3:4:4:2:	3:4:	4:3:3:	N[6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	C[6,6a]-3:B[3x6]-4:	B[3x6]-4:C[6]-3:C[6a]-3:	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2N[6])	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2N[6]){3|H<1>,4|C<3>,4|C<4>}	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>}	102.2030	0.000	1	102.2030	0.000	1	102.2030	0.000	1	102.2030	0.000	1	101.8180	0.697	3	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[3x6]	O[6]	N[6]	4:4:3:2:	4:3:	4:3:4:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	B[3x6]-4:C[6]-3:	B[3x6]-4:C[6]-3:C-4:	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]O)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	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>}	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]O){1|C<3>,2|H<1>,6|C<4>}	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){1|C<3>,2|H<1>,5|C<4>}	101.6255	1.083	2	101.6255	1.172	2	101.6255	1.172	2	101.6255	1.172	2	101.8180	0.697	3	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[3x6]	3:2:2:1:	4:3:	3:3:4:	N[3x6]-3:O[6]-2:O[6]-2:F-1:	B[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F)	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6])	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F){2|N<2>,4|C<3>}	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6]){5|C<3>}	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F){2|H<1>,3|C<3>}	108.3710	0.468	4	108.3710	0.219	4	108.3710	0.219	4	108.3710	0.219	4	107.7387	1.283	16	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[3x6]	3:2:2:2:	3:4:	3:3:4:	N[3x6]-3:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:B[6,6]-4:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O)	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH){6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O){1|Si<4>,5|C<3>}	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O){2|H<1>,5|C<3>}	106.1630	0.683	2	106.1630	0.467	2	106.1630	0.467	2	106.1630	0.467	2	107.7387	1.283	16	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[3x6]	3:3:2:2:	4:3:	3:3:4:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2)	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>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	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>}	106.9505	2.937	2	107.8010	1.280	10	107.8010	1.280	10	107.8010	1.280	10	107.7387	1.283	16	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[3x6]	3:3:2:2:	4:3:	3:3:4:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6,6a]-3:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2)	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>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	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>}	108.0136	0.394	8	107.8010	1.280	10	107.8010	1.280	10	107.8010	1.280	10	107.7387	1.283	16	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[6,6]	3:2:2:2:	3:4:	4:3:4:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:B[6,6]-4:	B[6,6]-4:C[6]-3:C[6]-4:	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){3|C<3>,3|C<4>}	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>}	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	107.4563	4.682	3	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[6,6]	3:3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6,6]-3:C[6]-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])	O[6](B[6,6]C[6,6a]2N[6,6])(C[6,6a]C[6,6a]C[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)	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>}	O[6](B[6,6]C[6,6a]2N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	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>}	106.4905	1.941	2	106.4905	3.768	2	106.4905	3.768	2	106.4905	3.768	2	107.4563	4.682	3	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[6]	2:2:3:2:	3:4:	3:4:4:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6]-3:B[6,6]-4:C-4:	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2)	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2){1|B<3>,1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH){1|B<3>,1|B<4>,2|C<3>}	106.8720	1.027	2	106.8720	1.054	2	106.8720	1.054	2	106.8720	1.054	2	111.0291	2.299	36	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[6]	3:3:2:2:	3:4:	3:4:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:C-4:	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	111.3318	1.186	30	111.3318	1.406	30	111.2737	1.297	34	111.2737	1.297	34	111.0291	2.299	36	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[6]	3:3:2:2:	3:4:	3:4:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:C-4:	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	111.2965	0.465	2	111.2965	0.216	2	111.2737	1.297	34	111.2737	1.297	34	111.0291	2.299	36	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6,6]	O[6]	N[6]	3:3:2:2:	3:4:	3:4:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:C-4:	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	110.3785	0.333	2	110.3785	0.111	2	111.2737	1.297	34	111.2737	1.297	34	111.0291	2.299	36	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6,6]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2	O[6](C[6,6]C[6,6a]C[6,6])(B[6]N[6,6]FF)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2{5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(B[6]N[6,6]FF){5|C<3>}	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>}	110.2355	1.479	2	110.2355	2.186	2	110.2355	2.186	2	110.3382	2.078	23	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.3382	2.078	23	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:C[6]-3:B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF)	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>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	110.3382	2.078	23	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	111.6163	0.111	3	111.6163	0.012	3	110.4196	2.318	19	110.3382	2.078	23	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	110.4735	0.251	2	111.0329	0.246	12	110.4196	2.318	19	110.3382	2.078	23	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	110.6780	0.211	2	111.0329	0.246	12	110.4196	2.318	19	110.3382	2.078	23	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	110.5880	0.238	2	111.0329	0.246	12	110.4196	2.318	19	110.3382	2.078	23	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	111.4860	0.090	6	111.0329	0.246	12	110.4196	2.318	19	110.3382	2.078	23	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{2|N<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	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>}	107.6820	0.256	4	107.6820	0.066	4	110.4196	2.318	19	110.3382	2.078	23	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	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>}	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF){1|O<2>,3|C<3>}	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>}	108.1710	0.000	1	108.6867	0.209	3	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	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>}	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF){4|C<3>}	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>}	108.9445	0.139	2	108.6867	0.209	3	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	108.5780	0.000	1	108.5780	0.000	1	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	110.1475	0.104	2	110.1320	0.291	9	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	110.3118	0.421	6	110.1320	0.291	9	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){5|C<3>}	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>}	109.0220	0.000	1	110.1320	0.291	9	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	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>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){1|H<1>,4|C<3>}	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>}	109.1455	0.529	4	109.5149	0.433	7	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	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>}	O[6](C[6]C[6a]C[6])(B[6]N[6,6]FF){5|C<3>}	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>}	110.0073	0.494	3	109.5149	0.433	7	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H)	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>}	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	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>}	108.7060	0.373	2	108.7060	0.139	2	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	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>}	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	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>}	108.4225	0.576	2	108.4225	0.332	2	109.4453	0.685	24	109.4453	0.685	24	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	4:3:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]C[6]C)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	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>}	O[6](B[6]N[6,6]FF)(C[6]C[6]C){1|H<1>,2|C<3>}	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>}	110.7524	0.437	14	110.7524	0.191	14	110.0003	1.672	20	110.0003	1.672	20	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	4:3:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|N<2>,4|C<3>}	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	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>}	109.2140	0.000	1	109.2140	0.000	1	110.0003	1.672	20	110.0003	1.672	20	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	4:3:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	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>}	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	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>}	108.6970	0.000	2	108.0518	0.440	5	110.0003	1.672	20	110.0003	1.672	20	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	4:3:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	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>}	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	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>}	107.6217	0.432	3	108.0518	0.440	5	110.0003	1.672	20	110.0003	1.672	20	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:1:1:	4:3:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	O[6](B[6]N[6,6]FF)(C[6]C[6]Ru)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	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>}	O[6](B[6]N[6,6]FF)(C[6]C[6]Ru){2|C<3>,2|H<1>}	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>}	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:3:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	C[6,6,6a]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H)	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>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	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>}	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	108.5727	2.520	6	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:3:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	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>}	110.7740	0.000	1	110.7740	0.000	1	108.4170	2.968	5	108.5727	2.520	6	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:3:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	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>}	107.6570	2.193	2	107.8277	1.643	4	108.4170	2.968	5	108.5727	2.520	6	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:2:3:1:	3:4:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	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>}	107.9985	0.035	2	107.8277	1.643	4	108.4170	2.968	5	108.5727	2.520	6	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:3:3:2:	3:4:	3:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6])	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2)	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[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]){1|N<3>,5|H<1>,7|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(B[6]N[6,6]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	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>}	105.4400	0.000	1	105.4400	0.000	1	105.4400	0.000	1	105.2575	0.067	2	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:3:3:2:	3:4:	3:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	C[6,6,6a]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]C[6a]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)	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>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]C[6a]2){1|H<1>,8|C<3>}	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>}	105.0750	0.000	1	105.0750	0.000	1	105.0750	0.000	1	105.2575	0.067	2	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:3:3:2:	4:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){1|C<4>,5|H<1>,7|C<3>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C){1|H<1>,6|C<3>}	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>}	106.3560	0.000	1	106.3560	0.000	1	105.4940	0.713	9	105.4940	0.713	9	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:3:3:2:	4:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){5|H<1>,8|C<3>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]){1|H<1>,8|C<3>}	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>}	105.9610	0.601	2	105.2757	1.590	3	105.4940	0.713	9	105.4940	0.713	9	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:3:3:2:	4:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){5|H<1>,8|C<3>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]){9|C<3>}	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>}	103.9050	0.000	1	105.2757	1.590	3	105.4940	0.713	9	105.4940	0.713	9	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6,6]	3:3:3:2:	4:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){1|N<2>,5|H<1>,7|C<3>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]){1|H<1>,8|C<3>}	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>}	105.4526	0.639	5	105.4526	0.408	5	105.4940	0.713	9	105.4940	0.713	9	109.1968	3.856	85	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	2:3:1:1:	3:4:	3:4:2:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:N-2:	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	108.6165	1.422	2	108.6165	2.022	2	108.6165	2.022	2	108.6165	2.022	2	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	2:3:1:1:	3:4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	110.4604	0.801	5	110.2179	0.486	8	110.4977	0.516	12	110.6579	0.603	14	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	2:3:1:1:	3:4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|Cl<1>,1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	109.8137	0.156	3	110.2179	0.486	8	110.4977	0.516	12	110.6579	0.603	14	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	2:3:1:1:	3:4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH){2|C<3>}	111.3445	0.265	2	111.3445	0.070	2	110.4977	0.516	12	110.6579	0.603	14	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	2:3:1:1:	3:4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH){2|C<3>}	110.7600	0.000	1	110.7600	0.000	1	110.4977	0.516	12	110.6579	0.603	14	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	2:3:1:1:	3:4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3){2|C<3>}	110.7800	0.000	1	110.7800	0.000	1	110.4977	0.516	12	110.6579	0.603	14	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	2:3:1:1:	3:4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:C[6]-4:	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H)	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF){1|C<4>,4|C<3>}	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>}	111.6190	0.074	2	111.6190	0.005	2	111.6190	0.005	2	110.6579	0.603	14	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	2:3:2:2:	3:4:	3:4:4:	O[6]-2:N[6]-3:O-2:O-2:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH)	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH){2|C<3>}	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:2:4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6a]-3:N[6]-2:B[6]-4:	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF)	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF)	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2{4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[6]FF){1|N<2>,4|C<3>}	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF){2|H<1>,4|C<3>}	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]2)(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)(B[6]N[6]FF){5|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	108.9040	0.893	4	108.9040	0.798	4	109.4900	0.847	20	109.5832	0.800	23	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	108.9770	0.000	1	109.6365	0.799	16	109.4900	0.847	20	109.5832	0.800	23	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	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>}	108.6275	0.234	4	109.6365	0.799	16	109.4900	0.847	20	109.5832	0.800	23	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	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>}	109.0540	0.000	1	109.6365	0.799	16	109.4900	0.847	20	109.5832	0.800	23	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	110.1643	0.682	10	109.6365	0.799	16	109.4900	0.847	20	109.5832	0.800	23	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6a]-3:C[6]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|H<1>,4|C<3>}	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>}	110.2047	0.300	3	110.2047	0.090	3	110.2047	0.090	3	109.5832	0.800	23	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:4:3:	N[6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6]FF)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6]FF){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	109.5070	0.000	1	109.3900	0.027	2	109.4973	0.048	3	109.4973	0.048	3	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:4:3:	N[6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6]FF)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6]FF){5|C<3>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	109.2730	0.000	1	109.3900	0.027	2	109.4973	0.048	3	109.4973	0.048	3	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:4:3:	N[6]-3:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	O[6](C[6]C[6a]C[6])(B[6]N[6]FF)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[6]FF){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S){3|C<3>,3|H<1>}	109.7120	0.000	1	109.7120	0.000	1	109.4973	0.048	3	109.4973	0.048	3	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:4:4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:C[5]-4:B[6]-4:	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF)	N[6](C[6]C[6,6a]H)(C[5]C[5]2Fe)(B[6]O[6]FF)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]FF){1|C<4>,1|H<1>,3|C<3>}	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>}	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:2:2:	3:4:	3:3:4:	N[6]-3:O[6]-2:O-2:O-2:	C[6,6a]-3:B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO){1|C<4>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO){2|H<1>,4|C<3>}	106.7670	0.000	1	106.7670	0.000	1	106.7670	0.000	1	106.7670	0.000	1	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:3:1:	3:4:	3:3:4:	N[6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF){2|H<1>,4|C<3>}	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:3:2:	3:4:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	109.0660	0.024	2	109.0660	0.001	2	107.4475	1.236	8	107.4475	1.236	8	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:3:2:	3:4:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	107.2790	0.000	1	107.2790	0.000	1	107.4475	1.236	8	107.4475	1.236	8	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:3:2:	3:4:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	107.1310	0.399	2	107.0875	0.072	4	107.4475	1.236	8	107.4475	1.236	8	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:3:2:	3:4:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	107.0440	0.222	2	107.0875	0.072	4	107.4475	1.236	8	107.4475	1.236	8	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:3:2:	3:4:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	105.8190	0.000	1	105.8190	0.000	1	107.4475	1.236	8	107.4475	1.236	8	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:2:4:4:	3:4:	3:3:4:	N[6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC){2|H<1>,4|C<3>}	104.2760	0.000	1	104.2760	0.000	1	104.2760	0.000	1	104.2760	0.000	1	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:2:3:	3:4:	4:3:4:	C[6a]-3:C[6a]-3:O[6]-2:N[6]-3:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH)	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|C<4>,1|H<1>,7|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH){6|C<3>}	104.2170	0.000	1	104.2170	0.000	1	104.2170	0.000	1	104.2170	0.000	1	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|C<4>,8|C<3>}	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>}	103.9100	0.000	1	105.1720	3.185	2	104.9204	2.131	5	104.9204	2.131	5	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]2N[6]){1|H<1>,8|C<3>}	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>}	106.4340	0.000	1	105.1720	3.185	2	104.9204	2.131	5	104.9204	2.131	5	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6]){9|C<3>}	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>}	106.5270	0.000	1	104.7527	2.563	3	104.9204	2.131	5	104.9204	2.131	5	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]C[6a]2N[6]){9|C<3>}	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>}	103.8655	0.636	2	104.7527	2.563	3	104.9204	2.131	5	104.9204	2.131	5	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6]C)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6]C){1|N<2>,6|C<3>}	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>}	104.1460	0.000	1	104.1460	0.000	1	104.8068	0.370	9	104.8068	0.370	9	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){1|C<4>,8|C<3>}	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>}	104.7330	0.429	7	104.8894	0.353	8	104.8068	0.370	9	104.8068	0.370	9	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){9|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,8|C<3>}	105.9840	0.000	1	104.8894	0.353	8	104.8068	0.370	9	104.8068	0.370	9	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6]C)	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6]C){1|C<4>,1|N<2>,5|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	104.5375	0.255	2	104.5375	0.065	2	105.0736	0.983	7	105.0736	0.983	7	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]C[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]C[6]){1|C<4>,1|N<2>,7|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	103.4390	0.000	1	103.4390	0.000	1	105.0736	0.983	7	105.0736	0.983	7	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){2|C<4>,7|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	106.1280	0.136	2	106.1280	0.018	2	105.0736	0.983	7	105.0736	0.983	7	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){2|C<4>,7|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,5|C<3>}	105.3725	0.404	2	105.3725	0.163	2	105.0736	0.983	7	105.0736	0.983	7	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){1|C<4>,8|C<3>}	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>}	106.9270	0.000	1	106.8605	0.009	2	106.8605	0.009	2	106.8605	0.009	2	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]){2|C<4>,7|C<3>}	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>}	106.7940	0.000	1	106.8605	0.009	2	106.8605	0.009	2	106.8605	0.009	2	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	4:2:3:1:	3:4:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-3:B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH)	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>}	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F){1|H<1>,3|C<3>,3|C<4>}	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>}	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	108.6055	0.000	2	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP2	B[6]	O[6]	N[6]	4:2:3:1:	3:4:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F){2|H<1>,3|C<3>,3|C<4>}	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>}	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	108.6055	0.000	2	108.0139	5.723	82	108.8113	5.936	226
874	622	856	6:SP3_SP2_SP3	B[3x6]	O[6]	N[6]	4:4:3:2:	4:4:	4:3:4:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	B[3x6]-4:C[6]-4:	B[3x6]-4:C[6]-3:C-4:	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	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>}	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH){1|C<3>,2|H<1>,6|C<4>}	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){2|H<1>,6|C<4>}	102.3230	0.284	2	102.3230	0.081	2	102.3230	0.081	2	102.3230	0.081	2	102.3230	0.081	2	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6,6]	O[6]	N[6,6]	3:2:2:2:	4:4:	4:3:4:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	B[6,6]-4:C[6]-4:	B[6,6]-4:C[6]-3:C[6]-4:	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH)	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH)	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>}	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	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>}	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6]	O[6]	N[6,6]	3:2:3:1:	4:3:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:N[6]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	O[6](B[6]N[6,6]CF)(N[6]C[6]C)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	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>}	O[6](B[6]N[6,6]CF)(N[6]C[6]C){1|O<1>,2|C<3>}	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>}	105.1040	0.000	1	105.1040	0.000	1	105.1040	0.000	1	105.1040	0.000	1	106.3769	1.394	10	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6]	O[6]	N[6,6]	3:2:4:4:	4:4:	3:4:3:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	O[6](B[6]N[6,6]CC)(C[6]C[6]CH)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	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>}	O[6](B[6]N[6,6]CC)(C[6]C[6]CH){2|C<3>,2|H<1>}	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>}	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	106.6193	1.981	6	106.3769	1.394	10	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6]	O[6]	N[6,6]	3:2:4:4:	4:4:	3:4:3:	N[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	O[6](C[6]C[6a]2C[6])(B[6]N[6,6]CC)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	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>}	O[6](C[6]C[6a]2C[6])(B[6]N[6,6]CC){2|H<1>,6|C<3>}	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>}	106.6570	0.000	1	106.6570	0.000	1	107.0348	1.182	5	106.6193	1.981	6	106.3769	1.394	10	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6]	O[6]	N[6,6]	3:2:4:4:	4:4:	3:4:3:	N[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	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>}	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	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>}	108.9270	0.000	1	108.9270	0.000	1	107.0348	1.182	5	106.6193	1.981	6	106.3769	1.394	10	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6]	O[6]	N[6,6]	3:2:4:4:	4:4:	3:4:3:	N[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	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>}	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	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>}	106.5300	0.347	3	106.5300	0.120	3	107.0348	1.182	5	106.6193	1.981	6	106.3769	1.394	10	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6]	O[6]	N[6,6]	3:3:3:2:	4:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]HH)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){1|C<4>,6|C<3>,7|H<1>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]HH){2|H<1>,6|C<3>}	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>}	106.4440	0.748	2	106.4440	0.560	2	106.3163	0.329	3	106.3163	0.329	3	106.3769	1.394	10	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6]	O[6]	N[6,6]	3:3:3:2:	4:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){1|C<4>,6|H<1>,7|C<3>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H){2|H<1>,8|C<3>}	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>}	106.0610	0.000	1	106.0610	0.000	1	106.3163	0.329	3	106.3163	0.329	3	106.3769	1.394	10	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6]	O[6]	N[6]	2:3:1:1:	4:4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	C[4,6]-4:B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2	O[6](C[4,6]C[4,6]2C[6a])(B[6]N[6]FF)	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3)	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2{1|C<3>,3|C<4>}	O[6](C[4,6]C[4,6]2C[6a])(B[6]N[6]FF){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3){1|H<1>,2|C<4>}	111.3490	1.319	3	111.3490	1.739	3	111.3490	1.739	3	111.3490	1.739	3	110.4228	4.591	4	106.9620	7.652	17
874	622	856	6:SP3_SP2_SP3	B[6]	O[6]	N[6]	3:3:3:2:	4:4:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H)	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3)	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>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3){2|C<4>,4|C<3>}	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	110.4228	4.591	4	106.9620	7.652	17
874	622	874	6:SP3_SP2_SP3	B[6]	O[6]	B[6]	2:2:4:4:	3:4:	2:2:4:4:	O[6]-2:O[6]-2:B[6]-4:N-4:	C[6,6a]-3:B[6]-4:	O[6]-2:O[6]-2:B[6]-4:N-4:	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH)	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N)	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH)	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH){5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N){1|H<1>,1|N<4>,2|O<2>,3|C<3>}	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH){5|C<3>}	112.3120	0.410	2	112.3120	0.168	2	112.3120	0.168	2	112.3120	0.168	2	112.3120	0.168	2	112.3120	0.168	2
874	622	892	0:SP3_SP2_SP3	B[6]	O[6]	N	2:2:4:4:	3:4:	4:4:4:1:	O[6]-2:O[6]-2:B[6]-4:N-4:	C[6,6a]-3:B[6]-4:	B[6]-4:C-4:C-4:H-1:	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH)	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N)	N(B[6]B[6]O[6]2)(CH3)2(H)	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH){5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N){1|H<1>,1|N<4>,2|O<2>,3|C<3>}	N(B[6]B[6]O[6]2)(CH3)2(H)	103.3625	0.210	2	103.3625	0.044	2	103.3625	0.044	2	103.3625	0.044	2	103.3625	0.044	2	103.3625	0.044	2
874	622	893	0:SP3_SP2_SP2	B[6]	O[6]	O	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O-2:O-2:	C[6,6a]-3:B[6]-4:	C[6a]-3:B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]OO)	O(C[6a]C[6a]2)(B[6]O[6]2O)	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]OO){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(B[6]O[6]2O)	110.2465	3.594	2	110.2465	12.918	2	110.2465	12.918	2	108.1984	6.486	8	107.9516	3.699	14	107.9516	3.699	14
874	622	893	0:SP3_SP2_SP2	B[6]	O[6]	O	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O-2:O-2:	C[6]-3:B[6]-4:	C[6a]-3:B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2	O[6](C[6]C[6,6a]C)(B[6]O[6]OO)	O(C[6a]C[6a]2)(B[6]O[6]2O)	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2{3|C<3>}	O[6](C[6]C[6,6a]C)(B[6]O[6]OO){2|C<3>}	O(C[6a]C[6a]2)(B[6]O[6]2O)	106.3380	1.769	2	106.3380	3.130	2	107.5157	4.259	6	108.1984	6.486	8	107.9516	3.699	14	107.9516	3.699	14
874	622	893	0:SP3_SP2_SP2	B[6]	O[6]	O	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O-2:O-2:	C[6]-3:B[6]-4:	C[6a]-3:B[6]-4:	B[6](O[6]C[6])2(OC[6a])2	O[6](C[6]C[5a]C[6])(B[6]O[6]OO)	O(C[6a]C[6a]2)(B[6]O[6]2O)	B[6](O[6]C[6])2(OC[6a])2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]OO){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]2)(B[6]O[6]2O)	108.1045	2.161	4	108.1045	4.669	4	107.5157	4.259	6	108.1984	6.486	8	107.9516	3.699	14	107.9516	3.699	14
874	622	893	0:SP3_SP2_SP2	B[6]	O[6]	O	3:2:2:2:	4:3:	4:3:	O[6]-3:O[6]-2:O-2:O-2:	B[6]-4:B[6]-3:	B[6]-4:B-3:	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB)	O[6](B[6]O[6]OO)(B[6]O[6]O)	O(B[6]O[6]2O)(BOO)	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB){3|O<2>}	O[6](B[6]O[6]OO)(B[6]O[6]O){1|Mg<7>,1|B<3>}	O(B[6]O[6]2O)(BOO)	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	107.7703	0.397	4	107.9516	3.699	14	107.9516	3.699	14
874	622	893	0:SP3_SP2_SP2	B[6]	O[6]	O	3:2:2:2:	4:3:	4:3:	O[6]-3:O[6]-2:O-2:O-2:	B[6]-4:B[6]-3:	B[6]-4:B[6]-3:	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB)	O[6](B[6]O[6]OO)(B[6]O[6]O)	O(B[6]O[6]2O)(B[6]O[6]2)	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB){3|O<2>}	O[6](B[6]O[6]OO)(B[6]O[6]O){1|Mg<7>,1|B<3>}	O(B[6]O[6]2O)(B[6]O[6]2)	107.7660	0.000	1	107.7660	0.000	1	108.0323	0.183	3	107.7703	0.397	4	107.9516	3.699	14	107.9516	3.699	14
874	622	893	0:SP3_SP2_SP2	B[6]	O[6]	O	3:2:2:2:	4:3:	4:3:	O[6]-3:O[6]-2:O-2:O-2:	B[6]-4:B[6]-3:	B[6]-4:B[6]-3:	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2	O[6](B[6]O[6]OO)(B[6]O[6]O)	O(B[6]O[6]2O)(B[6]O[6]2)	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2{3|O<2>}	O[6](B[6]O[6]OO)(B[6]O[6]O){1|Mg<7>,1|B<3>}	O(B[6]O[6]2O)(B[6]O[6]2)	108.1655	0.510	2	108.1655	0.260	2	108.0323	0.183	3	107.7703	0.397	4	107.9516	3.699	14	107.9516	3.699	14
874	622	893	0:SP3_SP2_SP2	B[6]	O[6]	O	3:2:3:2:	3:4:	4:3:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:B-3:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	O(B[6]C[6a]N[6]O[6])(BC[6a]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	O(B[6]C[6a]N[6]O[6])(BC[6a]O)	107.3275	0.317	2	107.3275	0.101	2	107.3275	0.101	2	107.3275	0.101	2	107.9516	3.699	14	107.9516	3.699	14
874	622	893	0:SP3_SP2_SP3	B[6,6]	O[6]	O	2:2:2:2:	4:3:	4:1:	O[6,6]-2:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:H-1:	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	O(B[6,6]O[6,6]O[6]2)(H)	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH){5|O<2>}	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|B<3>,1|B<4>}	O(B[6,6]O[6,6]O[6]2)(H)	108.2876	1.659	10	108.2876	2.753	10	108.2876	2.753	10	108.2876	2.753	10	110.1568	8.492	21	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6,6]	O[6]	O	3:2:2:2:	3:4:	4:1:	N[3x6]-3:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:B[6,6]-4:	B[6,6]-4:H-1:	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O)	O(B[6,6]N[3x6]O[6]2)(H)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH){6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O){1|Si<4>,5|C<3>}	O(B[6,6]N[3x6]O[6]2)(H)	114.8020	0.091	2	114.8020	0.008	2	114.8020	0.008	2	114.8020	0.008	2	110.1568	8.492	21	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6,6]	O[6]	O	3:2:2:2:	3:4:	4:4:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:B[6,6]-4:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	O(B[6,6]N[6,6]O[6]2)(CH3)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){3|C<3>,3|C<4>}	O(B[6,6]N[6,6]O[6]2)(CH3)	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	110.1568	8.492	21	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6,6]	O[6]	O	3:2:2:2:	4:3:	4:1:	O[3x6]-3:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:H-1:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	O(B[6,6]O[3x6]O[6]2)(H)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH){2|O<3>,6|O<2>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	O(B[6,6]O[3x6]O[6]2)(H)	111.5290	0.942	2	111.5290	0.887	2	111.5290	0.887	2	110.2965	7.364	6	110.1568	8.492	21	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6,6]	O[6]	O	3:2:2:2:	4:3:	4:1:	O[6,6]-3:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:H-1:	B[6,6](O[6,6]B[6,6]Zn)(O[6]B[6])2(OH)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	O(B[6,6]O[6,6]O[6]2)(H)	B[6,6](O[6,6]B[6,6]Zn)(O[6]B[6])2(OH){5|O<2>}	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|Zn<4>,1|B<3>,1|B<4>}	O(B[6,6]O[6,6]O[6]2)(H)	109.6803	3.234	4	109.6803	10.458	4	109.6803	10.458	4	110.2965	7.364	6	110.1568	8.492	21	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6,6]	O[6]	O	4:2:2:2:	3:4:	4:4:	N[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:B[6,6]-4:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	O(B[6,6]N[6,6]O[6]2)(CH3)	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){1|H<1>,3|C<3>,3|C<4>}	O(B[6,6]N[6,6]O[6]2)(CH3)	113.9135	0.837	2	113.9135	0.700	2	113.9135	0.700	2	113.9135	0.700	2	110.1568	8.492	21	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6]	O[6]	O	2:3:2:2:	3:4:	4:4:	O[6]-2:N[6]-3:O-2:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	O(B[6]N[6]O[6]O)(CH3)	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	O(B[6]N[6]O[6]O)(CH3)	111.6020	2.482	2	111.6020	6.160	2	111.6020	6.160	2	111.6020	6.160	2	110.1377	5.714	15	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6]	O[6]	O	3:2:2:2:	3:4:	4:4:	N[6]-3:O[6]-2:O-2:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO)	O(B[6]N[6]O[6]O)(CH3)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]OO){1|C<4>,4|C<3>}	O(B[6]N[6]O[6]O)(CH3)	112.0910	0.027	2	112.0910	0.001	2	112.0910	0.001	2	112.0910	0.001	2	110.1377	5.714	15	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6]	O[6]	O	3:2:2:3:	4:3:	4:4:	O[6]-3:O[6]-2:O-2:O-3:	B[6]-4:B[6]-3:	B[6]-4:B[6]-4:	B[6](O[6]B[6]V)(O[6]B[6])(OB[6])(OVV)	O[6](B[6]O[6]OO)(B[6]O[6]O)	O(B[6]O[6]2O)2	B[6](O[6]B[6]V)(O[6]B[6])(OB[6])(OVV){1|O<3>,3|O<2>}	O[6](B[6]O[6]OO)(B[6]O[6]O){1|B<4>,1|V<5>}	O(B[6]O[6]2O)2	105.5765	2.784	2	105.5765	7.750	2	105.5765	7.750	2	105.5765	7.750	2	110.1377	5.714	15	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6]	O[6]	O	3:2:3:2:	3:4:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	O(B[6]C[6a]N[6]O[6])2	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	O(B[6]C[6a]N[6]O[6])2	110.2080	0.052	2	110.5240	2.203	6	110.5240	2.203	6	110.5607	1.846	7	110.1377	5.714	15	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6]	O[6]	O	3:2:3:2:	3:4:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	O(B[6]C[6a]N[6]O[6])2	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	O(B[6]C[6a]N[6]O[6])2	109.3620	0.455	2	110.5240	2.203	6	110.5240	2.203	6	110.5607	1.846	7	110.1377	5.714	15	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6]	O[6]	O	3:2:3:2:	3:4:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	O(B[6]C[6a]N[6]O[6])2	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	O(B[6]C[6a]N[6]O[6])2	112.0020	1.881	2	110.5240	2.203	6	110.5240	2.203	6	110.5607	1.846	7	110.1377	5.714	15	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6]	O[6]	O	3:2:3:2:	3:4:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6,6a]-3:B[6]-4:	B[6]-4:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O)	O(B[6]C[6a]N[6]O[6])(CH3)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	O(B[6]C[6a]N[6]O[6])(CH3)	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	110.5607	1.846	7	110.1377	5.714	15	110.1489	7.138	36
874	622	893	0:SP3_SP2_SP3	B[6]	O[6]	O	3:3:2:2:	4:3:	4:1:	C[6]-3:O[6]-3:O[6]-2:O-2:	B[6]-4:B[6]-3:	B[6]-4:H-1:	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH)	O[6](B[6]C[6]O[6]O)(B[6]O[6]O)	O(B[6]C[6]O[6]2)(H)	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH){1|H<1>,3|C<3>,3|O<2>}	O[6](B[6]C[6]O[6]O)(B[6]O[6]O){1|Ir<8>,1|B<4>,1|C<3>,1|N<3>}	O(B[6]C[6]O[6]2)(H)	109.8010	0.078	2	109.8010	0.006	2	109.8010	0.006	2	109.8010	0.006	2	110.1377	5.714	15	110.1489	7.138	36
874	622	893	0:SP3_SP3_SP3	B[3x6]	O[6,6]	O	2:2:2:2:	4:3:	4:1:	O[6,6]-2:O[6,6]-2:O[6,6]-2:O-2:	B[3x6]-4:N[4x6]-3:	B[3x6]-4:H-1:	B[3x6](O[6,6]N[4x6])3(OH)	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2)	O(B[3x6]O[6,6]3)(H)	B[3x6](O[6,6]N[4x6])3(OH){3|C<4>}	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2){2|N<3>,4|C<4>}	O(B[3x6]O[6,6]3)(H)	109.4547	2.292	3	109.4547	5.253	3	109.4547	5.253	3	109.4547	5.253	3	109.4547	5.253	3	112.3668	7.037	9
874	622	893	0:SP3_SP3_SP3	B[6,6]	O[6,6]	O	2:2:2:2:	4:4:	4:1:	O[6,6]-2:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6,6]-4:	B[6,6]-4:H-1:	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH)	O[6,6](B[6,6]O[6]2O)2	O(B[6,6]O[6,6]O[6]2)(H)	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH){5|O<2>}	O[6,6](B[6,6]O[6]2O)2{2|B<3>}	O(B[6,6]O[6,6]O[6]2)(H)	113.5310	1.126	5	113.5310	1.267	5	113.5310	1.267	5	113.5310	1.267	5	113.5310	1.267	5	112.3668	7.037	9
874	622	893	0:SP3_SP3_SP3	B[6,6]	O[6]	O	3:2:2:2:	4:4:	4:4:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	B[6,6]-4:C[6]-4:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH)	O(B[6,6]N[6,6]O[6]2)(CH3)	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>}	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O(B[6,6]N[6,6]O[6]2)(CH3)	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	112.3668	7.037	9
874	622	930	0:SP3_SP2_SP2	B[6]	O[6]	C	2:2:3:1:	3:4:	3:4:1:	O[6]-2:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	C[6a]-3:B[6]-4:O-1:	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF)	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F){3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	111.0456	4.733	14	111.0456	4.733	14
874	622	930	0:SP3_SP2_SP2	B[6]	O[6]	C	2:4:3:3:	3:4:	4:3:3:	O[6]-2:N[6]-4:C-3:C-3:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:C-3:	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	C(B[6]N[6]O[6]C)(C[6a]C[6a]2)(CC[6a]Te)	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	C(B[6]N[6]O[6]C)(C[6a]C[6a]2)(CC[6a]Te)	111.7412	1.933	6	111.7412	3.736	6	111.7412	3.736	6	111.7412	3.736	6	111.0456	4.733	14	111.0456	4.733	14
874	622	930	0:SP3_SP2_SP2	B[6]	O[6]	C	3:2:3:1:	3:4:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	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>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	110.1720	0.000	1	110.1720	0.000	1	111.5443	2.306	6	110.8484	5.311	7	111.0456	4.733	14	111.0456	4.733	14
874	622	930	0:SP3_SP2_SP2	B[6]	O[6]	C	3:2:3:1:	3:4:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	109.3100	0.000	1	111.8188	2.317	5	111.5443	2.306	6	110.8484	5.311	7	111.0456	4.733	14	111.0456	4.733	14
874	622	930	0:SP3_SP2_SP2	B[6]	O[6]	C	3:2:3:1:	3:4:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]CF){1|H<1>,4|C<3>}	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	112.4460	0.683	4	111.8188	2.317	5	111.5443	2.306	6	110.8484	5.311	7	111.0456	4.733	14	111.0456	4.733	14
874	622	930	0:SP3_SP2_SP2	B[6]	O[6]	C	3:2:3:1:	3:4:	4:3:1:	N[6]-3:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF)	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CF){1|H<1>,4|C<3>}	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	106.6730	0.000	1	106.6730	0.000	1	106.6730	0.000	1	110.8484	5.311	7	111.0456	4.733	14	111.0456	4.733	14
874	622	930	0:SP3_SP2_SP3	B[6]	O[6]	C	2:2:3:1:	3:4:	3:4:1:	O[6]-2:O[6]-2:C-3:F-1:	N[6,6]-3:B[6]-4:	C[6a]-3:B[6]-4:O-1:	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F)	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF)	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F){3|C<3>}	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	112.8780	14.386	2	112.8780	14.386	2
874	622	930	0:SP3_SP2_SP3	B[6]	O[6]	C	3:2:3:1:	4:3:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:N[6]-3:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	O[6](B[6]N[6,6]CF)(N[6]C[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	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>}	O[6](B[6]N[6,6]CF)(N[6]C[6]C){1|O<1>,2|C<3>}	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	115.5600	0.000	1	115.5600	0.000	1	115.5600	0.000	1	115.5600	0.000	1	112.8780	14.386	2	112.8780	14.386	2
874	643	643	0:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<3>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	114.3159	4.830	9	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<4>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Co<4>,2|H<1>,7|C<3>}	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	114.2623	4.518	6	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<4>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Fe<4>,2|H<1>,7|C<3>}	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	114.1640	5.469	3	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<4>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,7|C<3>}	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	114.2417	3.435	3	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<4>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Se<1>,2|H<1>,7|C<3>}	C[6a](B[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	114.1428	5.372	6	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	114.2404	19.869	27	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6,6a]-3:B[6,6]-4:C[6a]-3:	B[6,6]-4:C[6,6a,6a]-3:C[6a]-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)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]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){10|C<3>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	120.3995	1.138	2	120.3995	1.294	2	120.3995	1.294	2	120.3995	1.294	2	119.8260	0.638	8	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:N[6]-3:	B[6,6]-4:C[6,6a,6a]-3:C[6a]-3:	B[6,6]-4:C[6,6a,6a]-3:C[6a]-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)	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]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){10|C<3>,4|H<1>}	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	119.4265	0.032	4	119.4265	0.001	4	119.4265	0.001	4	119.4265	0.001	4	119.8260	0.638	8	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:B[6,6]-4:H-1:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H)	C[6,6a](B[6,6]C[6,6a]B[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[6,6]C[6,6a]B[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H){2|H<1>,8|C<3>}	C[6,6a](B[6,6]C[6,6a]B[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](B[6,6]C[6,6a]B[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	120.0515	1.330	2	120.0515	1.769	2	120.0515	1.769	2	120.0515	1.769	2	119.8260	0.638	8	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:F-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F)	C[6,6a](C[6,6a]C[6a]N[6])(B[6]C[6a]N[6]F)(C[6a]C[6a]F)	C[6a](B[6]C[6,6a]N[6]F)(C[6a]C[6a]F)2	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>}	C[6,6a](C[6,6a]C[6a]N[6])(B[6]C[6a]N[6]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,4|C<3>}	C[6a](B[6]C[6,6a]N[6]F)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	112.2305	1.939	4	112.2305	3.759	4	112.2305	3.759	4	112.2305	3.759	4	112.2729	7.443	20	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](B[6]C[6,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	C[6a](B[6]C[6,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	113.5405	3.033	2	113.5405	9.198	2	113.5033	2.792	6	113.5916	2.381	7	112.2729	7.443	20	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](B[6]C[6,6a]2H)(C[6a]C[6a]H)2	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|B<4>,4|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](B[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	113.4847	1.259	4	113.4847	1.585	4	113.5033	2.792	6	113.5916	2.381	7	112.2729	7.443	20	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:F-1:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-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)	C[6,6a](B[6]N[6,6]C[6a]F)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](B[6]C[6,6a]N[6,6]F)(C[6a]C[6a]H)2	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>}	C[6,6a](B[6]N[6,6]C[6a]F)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6]C[6,6a]N[6,6]F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	113.5916	2.381	7	112.2729	7.443	20	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](B[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]P)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	C[6a](B[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	112.3835	0.166	2	112.3835	0.028	2	112.2290	0.346	4	112.2290	0.346	4	112.2729	7.443	20	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](B[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]P)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	C[6a](B[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	112.0745	0.957	2	112.0745	0.915	2	112.2290	0.346	4	112.2290	0.346	4	112.2729	7.443	20	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-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	C[6,6a](B[6]N[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](B[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2	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>}	C[6,6a](B[6]N[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6a](B[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	110.0075	0.913	2	110.0075	0.833	2	110.0075	0.833	2	110.0075	0.833	2	112.2729	7.443	20	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(P[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]P[6])(B[6]C[6a]2P[6])(C[6a]C[6a]F)	C[6a](B[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]F)2	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(P[6]N[6]CC){1|P<4>,5|F<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(B[6]C[6a]2P[6])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<4>,5|C<3>}	C[6a](B[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]F)2{1|N<2>,2|C<4>,2|F<1>,5|C<3>}	107.8335	5.626	2	107.8335	31.657	2	107.8335	31.657	2	107.8335	31.657	2	112.2729	7.443	20	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]P[6]H)(C[6a]C[6a]F)	C[6a](B[6]C[6,6a]P[6]H)(C[6a]C[6a]F)2	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H){10|C<3>,3|F<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]P[6]H)(C[6a]C[6a]F){2|F<1>,7|C<3>}	C[6a](B[6]C[6,6a]P[6]H)(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	116.7970	0.000	1	116.7970	0.000	1	116.7970	0.000	1	116.7970	0.000	1	112.2729	7.443	20	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-2:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6]){3|C<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	105.4905	0.431	2	105.4905	0.185	2	105.4905	0.185	2	112.1886	11.808	20	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]B[6])2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]B[6])2{1|O<2>,4|F<1>,7|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{1|B<3>,1|B<4>,2|F<1>,3|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{1|B<3>,1|B<4>,2|F<1>,3|C<3>}	109.6865	0.749	2	109.6865	0.561	2	112.9328	7.322	18	112.1886	11.808	20	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6])	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6]){1|O<2>,5|H<1>,6|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	112.3180	0.000	1	112.3180	0.000	1	112.9328	7.322	18	112.1886	11.808	20	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{2|O<2>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	114.3000	0.000	1	111.2932	4.551	6	112.9328	7.322	18	112.1886	11.808	20	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|F<1>,7|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	110.6918	1.725	5	111.2932	4.551	6	112.9328	7.322	18	112.1886	11.808	20	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	110.7650	0.000	1	114.8157	3.958	9	112.9328	7.322	18	112.1886	11.808	20	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{2|O<2>,4|H<1>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	115.2750	0.000	1	114.8157	3.958	9	112.9328	7.322	18	112.1886	11.808	20	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|F<1>,5|C<3>}	114.9580	0.000	1	114.8157	3.958	9	112.9328	7.322	18	112.1886	11.808	20	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	115.3905	1.615	6	114.8157	3.958	9	112.9328	7.322	18	112.1886	11.808	20	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C)	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C){5|H<1>,6|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	116.9760	0.000	1	116.9760	0.000	1	116.9760	0.000	1	116.9760	0.000	1	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6]){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,4|C<3>}	116.1780	0.000	1	116.1780	0.000	1	116.1780	0.000	1	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(N[6]C[6])	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	115.5215	0.050	2	115.5215	0.003	2	114.8898	0.582	10	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	114.3522	0.829	4	114.6630	0.998	5	114.8898	0.582	10	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	115.9060	0.000	1	114.6630	0.998	5	114.8898	0.582	10	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	114.8550	0.000	1	114.8467	0.092	3	114.8898	0.582	10	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	114.8425	0.429	2	114.8467	0.092	3	114.8898	0.582	10	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6])	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6]){1|O<2>,4|F<1>,7|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{1|B<4>,1|H<1>,2|F<1>,4|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{1|B<4>,1|H<1>,2|F<1>,4|C<3>}	111.7620	0.034	2	111.7620	0.001	2	111.7620	0.001	2	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	116.7885	0.730	2	116.7885	0.534	2	116.2509	1.726	15	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	114.8740	0.000	1	114.8740	0.000	1	116.2509	1.726	15	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,7|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,5|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,5|C<3>}	116.5910	0.000	1	116.5910	0.000	1	116.2509	1.726	15	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	119.5080	0.000	1	116.5925	2.454	8	116.2509	1.726	15	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	117.0145	0.445	2	116.5925	2.454	8	116.2509	1.726	15	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|S<2>,4|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	115.8406	1.151	5	116.5925	2.454	8	116.2509	1.726	15	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	115.3273	0.428	3	115.3273	0.183	3	116.2509	1.726	15	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	116.4800	0.000	1	116.4800	0.000	1	116.5877	0.195	3	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	116.6415	0.610	2	116.6415	0.372	2	116.5877	0.195	3	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	115.1230	0.000	1	115.1230	0.000	1	115.3428	1.418	14	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	116.5070	0.000	1	116.5070	0.000	1	115.3428	1.418	14	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	113.6650	0.000	1	115.2641	1.541	12	115.3428	1.418	14	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	113.9525	0.851	2	115.2641	1.541	12	115.3428	1.418	14	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	113.8380	0.000	1	115.2641	1.541	12	115.3428	1.418	14	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	115.9484	0.897	5	115.2641	1.541	12	115.3428	1.418	14	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	116.0063	0.703	3	115.2641	1.541	12	115.3428	1.418	14	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	117.6170	0.000	1	117.6170	0.000	1	115.8042	1.396	13	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	115.8020	0.719	3	115.8020	0.517	3	115.8042	1.396	13	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	115.8171	1.120	8	115.8171	1.254	8	115.8042	1.396	13	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	113.8940	0.000	1	113.8940	0.000	1	115.8042	1.396	13	115.5000	2.105	59	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-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	C[6a](B[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](B[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2	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>}	C[6a](B[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){1|S<3>,4|F<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	113.3330	1.027	2	113.3330	1.054	2	113.3330	1.054	2	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:S[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C)	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C){1|B<4>,1|C<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,5|C<3>}	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2{1|Ge<4>,2|N<3>,6|C<3>,6|H<1>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.3560	0.000	1	115.4705	8.942	2	116.3825	4.098	4	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2{1|N<2>,2|O<1>,4|H<1>,8|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	117.5850	0.000	1	115.4705	8.942	2	116.3825	4.098	4	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)2	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)2{1|B<4>,2|N<2>,4|F<1>,8|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2{2|F<1>,2|N<3>,5|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2{2|F<1>,2|N<3>,5|C<3>}	117.4050	0.000	1	117.4050	0.000	1	116.3825	4.098	4	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]N[5,6]N[5])2(C[6a]C[6a]2)2	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2	B[6](N[5,6]N[5,6]N[5])2(C[6a]C[6a]2)2{1|B<4>,4|F<1>,8|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2{2|F<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2{2|F<1>,2|N<2>,2|N<3>,3|C<3>}	117.1840	0.000	1	117.1840	0.000	1	116.3825	4.098	4	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-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	C[6a](B[6]N[5,6]N[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]N[6,6]C[6a])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[5,6]N[6,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]N[5,6]N[6,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	115.7460	0.000	1	115.7460	0.000	1	115.7460	0.000	1	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	114.5016	0.375	5	114.5016	0.141	5	114.5016	0.141	5	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{10|C<3>,1|S<2>,4|H<1>}	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	115.6510	0.000	1	115.6510	0.000	1	116.2580	0.350	3	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	116.5615	0.383	2	116.5615	0.146	2	116.2580	0.350	3	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]F)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]F)2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	116.1860	0.000	1	116.1860	0.000	1	116.9031	3.184	8	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	119.7850	0.000	1	117.0056	3.617	7	116.9031	3.184	8	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{1|C<4>,1|N<3>,4|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	116.1580	0.000	1	117.0056	3.617	7	116.9031	3.184	8	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	116.6192	1.768	5	117.0056	3.617	7	116.9031	3.184	8	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-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	C[6a](B[6]N[5a,6]N[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](B[6]N[5a,6]N[6,6]C[6a])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[5a,6]N[6,6]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[6a](B[6]N[5a,6]N[6,6]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	113.5745	0.161	2	113.5745	0.026	2	113.5745	0.026	2	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	113.4870	0.000	1	114.1717	0.429	3	114.1717	0.429	3	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	114.5140	0.393	2	114.1717	0.429	3	114.1717	0.429	3	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	113.2350	0.000	1	113.2350	0.000	1	112.5720	18.874	4	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	115.4065	0.144	2	115.4065	0.021	2	112.5720	18.874	4	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{1|H<1>,1|P<4>,2|F<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{1|H<1>,1|P<4>,2|F<1>,5|C<3>}	106.2400	0.000	1	106.2400	0.000	1	112.5720	18.874	4	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	113.4610	0.000	1	113.4610	0.000	1	114.1380	0.836	6	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.8560	0.564	3	113.8560	0.318	3	114.1380	0.836	6	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2{1|C<4>,4|H<1>,9|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	115.8180	0.000	1	115.8180	0.000	1	114.1380	0.836	6	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2{13|C<3>,4|F<1>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|F<1>,2|P<4>,5|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|F<1>,2|P<4>,5|C<3>}	113.9810	0.000	1	113.9810	0.000	1	114.1380	0.836	6	114.7890	5.084	42	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:P[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(P[6]N[6]CC)	C[6a](B[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]F)2	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(P[6]N[6]CC){1|P<4>,5|F<1>,6|C<3>}	C[6a](B[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]F)2{1|N<2>,2|C<4>,2|F<1>,5|C<3>}	C[6a](B[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]F)2{1|N<2>,2|C<4>,2|F<1>,5|C<3>}	114.7290	0.000	1	114.7290	0.000	1	114.7290	0.000	1	111.7652	3.907	5	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2	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>}	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,5|C<3>}	111.0360	0.000	1	111.0360	0.000	1	111.8580	1.351	2	111.7652	3.907	5	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH)	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH){1|N<2>,4|F<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,1|N<2>,1|P<4>,2|F<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,1|N<2>,1|P<4>,2|F<1>,4|C<3>}	112.6800	0.000	1	112.6800	0.000	1	111.8580	1.351	2	111.7652	3.907	5	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	S[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH)	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH){1|B<4>,2|H<1>,4|F<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,2|H<1>,4|C<3>}	110.1905	0.718	2	110.1905	0.515	2	110.1905	0.515	2	111.7652	3.907	5	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	109.8745	1.729	2	109.8745	2.989	2	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	108.4240	0.000	1	107.8494	5.495	11	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<2>,4|F<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	109.1160	0.000	1	107.8494	5.495	11	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|P<4>,3|C<4>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	106.6915	0.224	2	107.8494	5.495	11	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,3|C<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	105.0550	0.000	1	107.8494	5.495	11	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<3>,2|H<1>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	112.4790	0.000	1	107.8494	5.495	11	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.2070	2.118	2	107.8494	5.495	11	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	104.5870	0.000	1	107.8494	5.495	11	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){4|F<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,5|C<3>}	109.4425	0.090	2	107.8494	5.495	11	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6]){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	105.1250	0.000	1	105.1250	0.000	1	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,2|H<1>,3|C<3>}	108.8150	0.201	2	108.8150	0.040	2	108.0529	4.987	16	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:S[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6])	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6]){1|N<3>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6]){1|B<4>,1|C<4>,4|C<3>,5|H<1>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|O<2>,3|C<3>,3|H<1>}	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	108.5184	8.212	18	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	107.4840	0.000	1	105.8983	2.067	3	106.6980	3.936	4	106.6980	3.936	4	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,3|H<1>}	104.6800	0.000	1	105.8983	2.067	3	106.6980	3.936	4	106.6980	3.936	4	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	105.5310	0.000	1	105.8983	2.067	3	106.6980	3.936	4	106.6980	3.936	4	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,1|P<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,1|P<3>,2|F<1>,2|H<1>,4|C<3>}	109.0970	0.000	1	109.0970	0.000	1	106.6980	3.936	4	106.6980	3.936	4	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>,4|H<1>}	107.5760	0.000	1	105.1172	1.988	5	107.0980	4.516	14	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	103.9660	0.000	1	105.1172	1.988	5	107.0980	4.516	14	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|O<2>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	104.7430	0.000	1	105.1172	1.988	5	107.0980	4.516	14	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|P<4>,4|C<3>,4|F<1>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	104.6505	0.074	2	105.1172	1.988	5	107.0980	4.516	14	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|C<3>,4|C<4>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	108.7070	0.356	2	108.1984	2.530	9	107.0980	4.516	14	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	104.9480	0.000	1	108.1984	2.530	9	107.0980	4.516	14	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ge<3>,4|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	107.8420	0.000	1	108.1984	2.530	9	107.0980	4.516	14	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	109.0318	1.363	4	108.1984	2.530	9	107.0980	4.516	14	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<4>,4|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	107.4550	0.000	1	108.1984	2.530	9	107.0980	4.516	14	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC)	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC){3|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<4>,4|C<3>}	106.6690	0.000	1	106.6690	0.000	1	106.6690	0.000	1	107.0694	4.206	15	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|N<3>,4|C<4>,7|C<3>}	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2{1|N<2>,4|H<1>,5|C<3>}	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2{1|N<2>,4|H<1>,5|C<3>}	112.8730	0.000	1	112.8730	0.000	1	116.1645	21.668	2	112.0095	20.012	12	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|S<2>,4|C<4>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	119.4560	0.000	1	119.4560	0.000	1	116.1645	21.668	2	112.0095	20.012	12	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	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>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,6|C<3>}	115.9215	0.825	2	110.4137	27.635	6	111.1785	17.448	10	112.0095	20.012	12	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	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>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,6|C<3>}	107.6598	3.936	4	110.4137	27.635	6	111.1785	17.448	10	112.0095	20.012	12	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2	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>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	112.9860	2.787	2	112.9860	7.770	2	111.1785	17.448	10	112.0095	20.012	12	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	111.1340	0.000	1	111.1340	0.000	1	111.1785	17.448	10	112.0095	20.012	12	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2	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>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	112.1970	0.000	1	112.1970	0.000	1	111.1785	17.448	10	112.0095	20.012	12	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[5,6,6]C[6a]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[5,6,6]C[6a]O[6])(C[6a]C[6a]F)2	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|P<4>,3|C<4>,3|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[5,6,6]C[6a]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[6a](B[6]C[5,6,6]C[6a]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>,3|C<4>}	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	110.8121	6.227	7	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	112.8660	0.000	1	112.8660	0.000	1	111.1425	6.555	6	110.8121	6.227	7	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	109.8560	0.000	1	109.8560	0.000	1	111.1425	6.555	6	110.8121	6.227	7	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	110.0450	0.000	1	110.0450	0.000	1	111.1425	6.555	6	110.8121	6.227	7	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	108.4470	0.000	1	108.4470	0.000	1	111.1425	6.555	6	110.8121	6.227	7	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<2>,4|F<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	115.4710	0.000	1	112.8205	14.050	2	111.1425	6.555	6	110.8121	6.227	7	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){2|O<2>,4|F<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	110.1700	0.000	1	112.8205	14.050	2	111.1425	6.555	6	110.8121	6.227	7	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)2(O[6]C[6]Li)	C[6a](B[6]C[5,6]C[6a]O[6])(C[6a]C[6a]F)2	C[6a](B[6]C[5,6]C[6a]O[6])(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)2(O[6]C[6]Li){10|C<3>,1|F<2>,2|H<1>,3|F<1>}	C[6a](B[6]C[5,6]C[6a]O[6])(C[6a]C[6a]F)2{1|Li<3>,1|C<4>,2|F<1>,6|C<3>}	C[6a](B[6]C[5,6]C[6a]O[6])(C[6a]C[6a]F)2{1|Li<3>,1|C<4>,2|F<1>,6|C<3>}	106.4825	0.234	2	106.4825	0.055	2	106.4825	0.055	2	105.1607	5.269	3	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H){1|P<4>,3|C<4>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	102.5170	0.000	1	102.5170	0.000	1	102.5170	0.000	1	105.1607	5.269	3	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]F)2	C[6a](B[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,3|C<4>,4|C<3>,4|F<1>,4|H<1>}	C[6a](B[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](B[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,3|C<4>,3|H<1>}	102.4240	0.000	1	102.4240	0.000	1	102.4240	0.000	1	108.9778	17.588	10	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|P<4>,4|F<1>,4|H<1>,6|C<3>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,3|C<4>,3|H<1>}	103.9100	0.000	1	103.9100	0.000	1	108.7546	15.634	5	108.9778	17.588	10	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6]C[5,6]C[5]Ir)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6]C[5]Ir)(C[6a]C[6a]2)2(C[6]C[6]HH){3|C<4>,3|H<1>,4|C<3>,4|F<1>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{1|Ir<10>,2|F<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{1|Ir<10>,2|F<1>,2|H<1>,3|C<3>,3|C<4>}	108.4105	4.850	2	108.4105	23.523	2	108.7546	15.634	5	108.9778	17.588	10	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)2(C[6]C[6]HH){1|F<2>,3|C<4>,3|F<1>,3|H<1>,4|C<3>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{1|Zr<15>,2|F<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{1|Zr<15>,2|F<1>,2|H<1>,3|C<3>,3|C<4>}	111.5210	0.000	2	111.5210	0.000	2	108.7546	15.634	5	108.9778	17.588	10	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>,4|H<1>}	106.0430	0.000	1	106.0430	0.000	1	106.0430	0.000	1	108.9778	17.588	10	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH){1|Fe<10>,2|C<4>,2|H<1>,4|F<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,5|C<3>}	110.5670	0.000	1	110.5670	0.000	1	112.5127	3.227	3	108.9778	17.588	10	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){3|H<1>,4|F<1>,9|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,6|C<3>}	113.4855	0.880	2	113.4855	0.775	2	112.5127	3.227	3	108.9778	17.588	10	112.5439	16.398	197	112.9353	17.296	252
874	643	643	0:SP3_SP2_SP2	B[6]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2{1|P<4>,4|C<3>,4|C<4>,4|F<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	104.7140	0.000	1	104.7140	0.000	1	104.7140	0.000	1	104.7140	0.000	1	112.5439	16.398	197	112.9353	17.296	252
874	643	643	6:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[5]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2)	C[6,6,6a](B[3x6]C[6,6,6a]O[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]O[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2){1|B<4>,2|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]O[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]O[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	105.4875	1.579	2	105.4875	2.493	2	105.4875	2.493	2	105.4875	2.493	2	104.9898	10.907	31	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<3>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	104.2706	2.785	9	104.3481	6.914	27	104.3481	6.914	27	104.3481	6.914	27	104.9898	10.907	31	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<4>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Co<4>,2|H<1>,7|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Co<4>,2|H<1>,7|C<3>}	104.3272	2.662	6	104.3481	6.914	27	104.3481	6.914	27	104.3481	6.914	27	104.9898	10.907	31	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<4>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Fe<4>,2|H<1>,7|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Fe<4>,2|H<1>,7|C<3>}	104.4063	2.048	3	104.3481	6.914	27	104.3481	6.914	27	104.3481	6.914	27	104.9898	10.907	31	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<4>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,7|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,7|C<3>}	104.3287	4.385	3	104.3481	6.914	27	104.3481	6.914	27	104.3481	6.914	27	104.9898	10.907	31	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|P<4>,5|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Se<1>,2|H<1>,7|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Se<1>,2|H<1>,7|C<3>}	104.4662	2.657	6	104.3481	6.914	27	104.3481	6.914	27	104.3481	6.914	27	104.9898	10.907	31	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[5]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2)	C[6,6,6a](B[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2){1|B<4>,4|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6,6,6a](B[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	113.1550	0.048	2	113.1550	0.002	2	113.1550	0.002	2	113.1550	0.002	2	104.9898	10.907	31	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6,6]	C[6,6,6a]	C[6,6a]	3:3:3:3:	3:3:4:	3:4:3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:B[6,6]-4:	C[5,6,6a]-3:B[6,6]-4:C[6a]-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)	C[6,6,6a](C[6,6a,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]2N[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]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){10|C<3>,4|H<1>}	C[6,6,6a](C[6,6a,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]2N[6]){10|C<3>,1|H<1>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,9|C<3>}	112.4045	0.204	2	112.4045	0.042	2	112.4045	0.042	2	112.4045	0.042	2	110.4643	5.059	4	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6,6]	C[6,6,6a]	C[6,6a]	3:3:3:3:	3:3:4:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:B[6,6]-4:	B[6,6]-4:C[6,6a,6a]-3:C[6a]-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)	C[6,6,6a](C[6,6a,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]2N[6])	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]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){10|C<3>,4|H<1>}	C[6,6,6a](C[6,6a,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]2N[6]){10|C<3>,1|H<1>}	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	108.5240	0.277	2	108.5240	0.077	2	108.5240	0.077	2	108.5240	0.077	2	110.4643	5.059	4	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:N[6]-3:	B[6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B[6,6]-4:	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)	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2N[6])	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>}	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2N[6]){2|H<1>,9|C<3>}	110.4822	2.285	8	110.4822	5.223	8	110.4822	5.223	8	110.4822	5.223	8	110.4822	5.223	8	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[6,6a](B[6,6]C[6,6a]N[5,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](B[6,6]C[6,6a]N[5,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|B<4>,1|N<3>,2|H<1>,8|C<3>}	C[6,6a](B[6,6]C[6,6a]N[5,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](B[6,6]C[6,6a]N[5,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	114.6340	0.428	3	114.6340	0.428	3	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6]-4:C[6,6a]-3:C[6a]-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])	C[6,6a](B[6,6]C[6,6a]N[6,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](B[6,6]C[6,6a]N[6,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]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]){1|B<4>,3|H<1>,8|C<3>}	C[6,6a](B[6,6]C[6,6a]N[6,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](B[6,6]C[6,6a]N[6,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	114.3740	0.672	2	114.3740	0.451	2	114.3740	0.451	2	114.6340	0.428	3	114.6340	0.428	3	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HH)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	115.8460	0.281	2	115.8460	0.079	2	115.8460	0.079	2	115.8460	0.079	2	113.8558	10.592	11	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:S-3:H-1:	C[6a,6a]-3:C[6,6a]-3:B[6]-4:	C[6a,6a]-3:C[6,6a]-3:B[6]-4:	B[6](C[6,6a]C[6a,6a]C[6,6a])2(SCC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(B[6]C[6,6a]HS)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(B[6]C[6,6a]HS)	B[6](C[6,6a]C[6a,6a]C[6,6a])2(SCC)(H){1|B<4>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(B[6]C[6,6a]HS){1|S<3>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(B[6]C[6,6a]HS){1|S<3>,2|H<1>,6|C<3>}	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	113.8558	10.592	11	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:S-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(SCC)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HS)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HS)(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(SCC)(H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HS)(C[6a]C[6a]H){1|S<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HS)(C[6a]C[6a]H){1|S<3>,3|C<3>,3|H<1>}	114.9915	0.326	2	114.9915	0.106	2	114.9915	0.106	2	114.9915	0.106	2	113.8558	10.592	11	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	113.9110	0.000	1	110.0100	11.469	3	110.0100	11.469	3	110.0100	11.469	3	113.8558	10.592	11	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|B<4>,4|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	108.0595	0.334	2	110.0100	11.469	3	110.0100	11.469	3	110.0100	11.469	3	113.8558	10.592	11	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:N-2:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC)	C[6,6a](B[6]C[6,6a]C[5]N)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[5]N)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC){1|B<4>,2|H<1>,8|C<3>}	C[6,6a](B[6]C[6,6a]C[5]N)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](B[6]C[6,6a]C[5]N)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	113.9247	1.058	3	113.8558	10.592	11	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	114.2270	0.000	1	114.2270	0.000	1	113.5030	1.048	2	113.9247	1.058	3	113.8558	10.592	11	108.3634	23.963	57
874	643	643	6:SP3_SP2_SP2	B[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	112.7790	0.000	1	112.7790	0.000	1	113.5030	1.048	2	113.9247	1.058	3	113.8558	10.592	11	108.3634	23.963	57
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:3:2:	4:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-4:C-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(CC[6a]Si)	B[6](C[6a]C[6a]2)2(C[6]C[6]C)(O[6]P[6]){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,4|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(CC[6a]Si){1|P<4>,2|H<1>,4|C<3>}	113.2175	3.956	2	113.2175	15.652	2	113.2175	15.652	2	113.2175	15.652	2	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:4:3:	C[6]-3:C[6]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C-3:	B[6](C[6]C[6,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[6]C[6]2N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH)	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>}	C[6a](B[6]C[6]2N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH){1|H<1>,8|C<3>}	111.9135	0.776	2	111.9135	0.602	2	111.9135	0.602	2	111.9135	0.602	2	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(H)	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){1|S<3>,4|F<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(H){9|C<3>}	107.0295	8.089	2	107.0295	65.425	2	106.7867	39.768	4	106.7867	39.768	4	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6](B[6]C[6a]2C[6])(C[6]S[6]C)(H)	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){1|S<3>,4|F<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]S[6]C)(H){7|C<3>}	106.5440	7.324	2	106.5440	53.644	2	106.7867	39.768	4	106.7867	39.768	4	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2)	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){1|S<3>,4|F<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2){10|C<3>,1|H<1>,2|F<1>}	109.4522	3.621	4	109.4522	13.109	4	109.4522	13.109	4	110.4847	18.794	6	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:S[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:S[6]-3:C-3:	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C)	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	C[6](B[6]C[6a]2S[6])(S[6]B[6]C)(CCH)	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C){1|B<4>,1|C<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,5|C<3>}	C[6](B[6]C[6a]2S[6])(S[6]B[6]C)(CCH){1|C<4>,7|C<3>}	112.5495	6.469	2	112.5495	41.852	2	112.5495	41.852	2	110.4847	18.794	6	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(H){1|C<4>,3|H<1>,7|C<3>}	110.4000	6.660	2	110.4000	44.349	2	109.5135	25.790	4	109.5135	25.790	4	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]C)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	108.6270	5.466	2	108.6270	29.876	2	109.5135	25.790	4	109.5135	25.790	4	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:P-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(PC[6a]C)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,1|P<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(PC[6a]C){1|C<4>,2|H<1>,8|C<3>}	112.0385	1.381	2	112.0385	1.907	2	112.0385	1.907	2	112.0385	1.907	2	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	3:3:4:3:	4:3:3:	4:4:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-4:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	112.6495	6.749	2	112.6495	45.554	2	112.6495	45.554	2	112.6495	45.554	2	110.3177	21.338	24	110.3177	21.338	24
874	643	762	0:SP3_SP2_SP2	B[6]	C[6a]	C[6]	4:3:3:3:	4:3:3:	4:3:1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]P)(H)	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H){1|P<4>,3|C<4>,4|C<3>,4|F<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]P)(H){1|C<4>,4|C<3>,4|H<1>}	109.9385	6.693	2	109.9385	44.793	2	109.9385	44.793	2	109.9385	44.793	2	110.3177	21.338	24	110.3177	21.338	24
874	643	762	6:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[6,6]	3:3:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6,6a]-3:B[3x6]-4:C[6a]-3:	B[3x6]-4:C[6,6]-3:H-1:	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)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(B[3x6]C[6,6]2N[6])(C[6a]C[6a]H)	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]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){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(B[3x6]C[6,6]2N[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,5|C<3>}	103.4055	0.196	2	103.4055	0.038	2	103.4055	0.038	2	103.4055	0.038	2	103.4055	0.038	2	103.4055	0.038	2
874	643	790	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	Cl	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:Cl-1:Cl-1:	C[5a,6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H)	Cl(B[6]C[6,6a]N[5,6]Cl)	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	Cl(B[6]C[6,6a]N[5,6]Cl)	111.6690	0.577	2	111.6690	0.333	2	111.6690	0.333	2	111.6690	0.333	2	111.6690	0.333	2	111.6690	0.333	2
874	643	813	0:SP3_SP2_SP2	B[3x6]	C[6a]	N[5a,6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(C[6a]C[6a]2)	C[6a](B[3x6]N[5a,6,6]3)(C[6a]C[6a]H)2	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6a](B[3x6]N[5a,6,6]3)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	114.6020	1.141	3	114.6020	1.302	3	114.6020	1.302	3	114.6020	1.302	3	114.6020	1.302	3	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6,6]	C[6a]	N[5a,6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a,6]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6a]C[6a]H)2	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	C[6a](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6,6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6a]C[6a]H)2	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	C[6a](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]F)2	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	109.6500	0.622	2	109.9310	1.800	6	110.1762	2.467	10	110.1762	2.467	10	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]F)2	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	110.0715	1.671	4	109.9310	1.800	6	110.1762	2.467	10	110.1762	2.467	10	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	109.3515	2.501	2	109.3515	6.255	2	110.1762	2.467	10	110.1762	2.467	10	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){4|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	111.7365	0.596	2	111.7365	0.355	2	110.1762	2.467	10	110.1762	2.467	10	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:3:4:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,5a]-3:B[6]-4:	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]S[5a])(C[5,5a]C[5,5a]S[5])(B[6]C[6a]2O[6])	B[6](N[5a,6]C[5,5a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[6,6a]S[5a])(C[5,5a]C[5,5a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	107.3330	0.225	2	107.3330	0.051	2	107.3330	0.051	2	107.3330	0.051	2	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,6|C<3>}	109.9745	0.460	2	110.2415	1.159	4	110.2415	1.159	4	110.2415	1.159	4	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|C<4>,4|H<1>,8|C<3>}	C[6a](B[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){2|C<4>,6|C<3>}	110.5085	1.726	2	110.2415	1.159	4	110.2415	1.159	4	110.2415	1.159	4	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	C[6a](B[6]N[5a,6]2H)(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){1|N<3>,2|H<1>,6|C<3>}	117.0865	3.193	2	117.0865	10.193	2	116.9382	3.427	4	114.8423	13.374	6	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	C[6a](B[6]N[5a,6]2H)(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|H<1>,5|C<3>}	116.7900	0.033	2	116.7900	0.001	2	116.9382	3.427	4	114.8423	13.374	6	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC)	C[6a](B[6]N[5a,6]2O)(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC){4|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	110.6505	1.968	2	110.6505	3.873	2	110.6505	3.873	2	114.8423	13.374	6	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	3:3:4:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{10|C<3>,1|S<2>,4|H<1>}	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2){10|C<3>,1|H<1>}	110.1205	1.319	2	110.1205	1.739	2	110.1205	1.739	2	108.8143	6.313	6	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	3:3:4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2){10|C<3>}	108.1612	2.870	4	108.1612	8.236	4	108.1612	8.236	4	108.8143	6.313	6	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H){1|H<1>,8|C<3>}	110.1128	0.710	4	110.1128	0.505	4	110.1128	0.505	4	110.1128	0.505	4	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]F)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	108.6675	2.033	4	108.6675	4.134	4	108.7200	1.434	28	109.0396	2.065	32	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{1|C<4>,1|N<3>,4|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	110.1220	0.423	2	108.8227	1.140	22	108.7200	1.434	28	109.0396	2.065	32	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	107.9845	0.516	4	108.8227	1.140	22	108.7200	1.434	28	109.0396	2.065	32	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	108.7590	1.061	12	108.8227	1.140	22	108.7200	1.434	28	109.0396	2.065	32	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	109.2022	1.121	4	108.8227	1.140	22	108.7200	1.434	28	109.0396	2.065	32	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{1|C<4>,1|N<3>,4|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,2|C<4>,6|C<3>}	107.6950	0.185	2	107.6950	0.034	2	108.7200	1.434	28	109.0396	2.065	32	109.8289	6.052	64	110.0640	6.667	69
874	643	813	0:SP3_SP2_SP2	B[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-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	C[6a](B[6]N[5a,6]N[6,6]C[6a])(C[6a]C[6a]H)2	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]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{1|B<4>,6|H<1>,8|C<3>}	C[6a](B[6]N[5a,6]N[6,6]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|H<1>,5|C<3>}	111.2767	0.896	4	111.2767	0.802	4	111.2767	0.802	4	109.0396	2.065	32	109.8289	6.052	64	110.0640	6.667	69
874	643	818	0:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[5]	3:3:2:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[5]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:N[5]-3:N[5]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2)	C[6,6,6a](B[3x6]C[6,6,6a]O[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H)	C[5](B[3x6]C[6,6,6a]2O[6,6])(N[5]C[6a]C[5])2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2){1|B<4>,2|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]O[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5](B[3x6]C[6,6,6a]2O[6,6])(N[5]C[6a]C[5])2{1|O<2>,2|H<1>,8|C<3>}	116.1910	10.299	4	116.1910	106.060	4	116.1910	106.060	4	116.1910	106.060	4	113.9389	64.933	8	113.7594	53.516	10
874	643	818	0:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	C[5]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[5]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6]-4:N[5]-3:N[5]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2)	C[6,6,6a](B[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H)	C[5](B[3x6]C[6,6,6a]2C[6,6])(N[5]C[6a]C[5])2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2){1|B<4>,4|H<1>,8|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[5](B[3x6]C[6,6,6a]2C[6,6])(N[5]C[6a]C[5])2{1|C<4>,4|H<1>,8|C<3>}	111.6868	5.650	4	111.6868	31.924	4	111.6868	31.924	4	111.6868	31.924	4	113.9389	64.933	8	113.7594	53.516	10
874	643	818	0:SP3_SP2_SP2	B[6]	C[6,6a]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:N-2:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:N[5]-3:N[5]-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC)	C[6,6a](B[6]C[6,6a]C[5]N)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[5](B[6]C[6,6a]2N)(N[5]C[6a]C[5])2	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC){1|B<4>,2|H<1>,8|C<3>}	C[6,6a](B[6]C[6,6a]C[5]N)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[5](B[6]C[6,6a]2N)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	113.0415	5.082	2	113.0415	25.826	2	113.0415	25.826	2	113.0415	25.826	2	113.0415	25.826	2	113.7594	53.516	10
874	643	818	6:SP3_SP2_SP2	B[6]	C[6,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:N[5,6]-3:N[5]-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)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[5,6]N[6]H)(C[6a]C[6a]H)	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[5,6]N[6]H)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C){4|C<3>,4|H<1>}	109.1340	0.000	1	109.1340	0.000	1	109.1340	0.000	1	109.1340	0.000	1	109.1340	0.000	1	109.1340	0.000	1
874	643	830	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	F	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:C[6a]-3:B[6]-4:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]O[6]FF)	F(B[6]C[6,6a]O[6]F)	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2{1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]O[6]FF){2|C<3>,3|H<1>}	F(B[6]C[6,6a]O[6]F)	113.8925	0.221	2	113.8925	0.049	2	113.8925	0.049	2	113.8925	0.049	2	111.0973	4.136	7	111.1498	1.901	17
874	643	830	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	F	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:F-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F)	C[6,6a](C[6,6a]C[6a]N[6])(B[6]C[6a]N[6]F)(C[6a]C[6a]F)	F(B[6]C[6,6a]C[6a]N[6])	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>}	C[6,6a](C[6,6a]C[6a]N[6])(B[6]C[6a]N[6]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,4|C<3>}	F(B[6]C[6,6a]C[6a]N[6])	109.9155	0.967	4	109.9155	0.936	4	109.9155	0.936	4	109.9155	0.936	4	111.0973	4.136	7	111.1498	1.901	17
874	643	830	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	F	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:F-1:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6,6a](B[6]N[6,6]C[6a]F)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	F(B[6]C[6,6a]N[6,6]C[6a])	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>}	C[6,6a](B[6]N[6,6]C[6a]F)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	F(B[6]C[6,6a]N[6,6]C[6a])	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	111.0973	4.136	7	111.1498	1.901	17
874	643	830	0:SP3_SP-NON_SP2	B[6]	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F)	C[6a](B[6]C[6,6a]N[6]F)(C[6a]C[6a]F)2	F(B[6]C[6,6a]C[6a]N[6])	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>}	C[6a](B[6]C[6,6a]N[6]F)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	F(B[6]C[6,6a]C[6a]N[6])	111.5298	0.317	4	111.5298	0.101	4	111.5298	0.101	4	111.1865	0.618	10	111.1865	0.618	10	111.1498	1.901	17
874	643	830	0:SP3_SP-NON_SP2	B[6]	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6a](B[6]C[6,6a]N[6,6]F)(C[6a]C[6a]H)2	F(B[6]C[6,6a]N[6,6]C[6a])	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>}	C[6a](B[6]C[6,6a]N[6,6]F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	F(B[6]C[6,6a]N[6,6]C[6a])	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	111.1865	0.618	10	111.1865	0.618	10	111.1498	1.901	17
874	643	830	0:SP3_SP-NON_SP2	B[6]	C[6a]	F	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]F)2	F(B[6]N[5a,6]2C[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	F(B[6]N[5a,6]2C[6a])	111.2730	0.438	3	111.2730	0.192	3	111.3218	0.124	5	111.1865	0.618	10	111.1865	0.618	10	111.1498	1.901	17
874	643	830	0:SP3_SP-NON_SP2	B[6]	C[6a]	F	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]H)2	F(B[6]N[5a,6]2C[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	F(B[6]N[5a,6]2C[6a])	111.6140	0.000	1	111.3950	0.096	2	111.3218	0.124	5	111.1865	0.618	10	111.1865	0.618	10	111.1498	1.901	17
874	643	830	0:SP3_SP-NON_SP2	B[6]	C[6a]	F	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]H)2	F(B[6]N[5a,6]2C[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){4|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]2F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	F(B[6]N[5a,6]2C[6a])	111.1760	0.000	1	111.3950	0.096	2	111.3218	0.124	5	111.1865	0.618	10	111.1865	0.618	10	111.1498	1.901	17
874	643	849	0:SP3_SP2_SP3	B[6,6]	C[6,6a]	P[6]	3:4:4:1:	4:3:3:	4:4:4:4:	C[6,6a]-3:B[6,6]-4:P[6]-4:H-1:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H)	C[6,6a](B[6,6]B[6,6]P[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H){4|C<3>,5|H<1>,7|C<4>}	C[6,6a](B[6,6]B[6,6]P[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|P<3>,1|P<4>,2|C<3>,3|C<4>,4|H<1>}	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<3>,1|P<4>,4|C<3>,4|C<4>,8|H<1>}	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	110.8880	1.296	2	110.6495	19.116	16
874	643	849	0:SP3_SP2_SP3	B[6,6]	C[6,6a]	P[6]	3:4:4:3:	4:3:3:	4:4:4:4:	C[6,6a]-3:B[6,6]-4:P[6]-4:P-3:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2)	C[6,6a](B[6,6]B[6,6]P[6]P)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2){4|C<3>,5|H<1>,7|C<4>}	C[6,6a](B[6,6]B[6,6]P[6]P)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,3|C<4>,5|H<1>}	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<4>,4|C<3>,4|C<4>,9|H<1>}	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	110.8880	1.296	2	110.6495	19.116	16
874	643	849	0:SP3_SP2_SP3	B[6]	C[6a]	P[6]	3:3:3:4:	4:3:3:	4:2:4:4:	C[6,6a]-3:C[6a]-3:C[6a]-3:P[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:N[6]-2:C-4:C-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(P[6]N[6]CC)	C[6a](B[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]F)2	P[6](B[6]C[6,6a]C[6a]2)(N[6]P[6])(CCCH)2	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(P[6]N[6]CC){1|P<4>,5|F<1>,6|C<3>}	C[6a](B[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]F)2{1|N<2>,2|C<4>,2|F<1>,5|C<3>}	P[6](B[6]C[6,6a]C[6a]2)(N[6]P[6])(CCCH)2{2|C<4>,6|C<3>}	108.3685	3.495	2	108.3685	12.217	2	108.3685	12.217	2	108.3685	12.217	2	110.6154	21.947	14	110.6495	19.116	16
874	643	849	0:SP3_SP2_SP3	B[6]	C[6a]	P[6]	3:3:4:4:	4:3:3:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-4:C-4:C-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC)	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	P[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(CC3)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC){3|H<1>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<4>,4|C<3>}	P[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(CC3)2{1|C<4>,2|H<1>,5|C<3>}	113.8160	9.129	2	113.8160	83.334	2	113.8160	83.334	2	113.8160	83.334	2	110.6154	21.947	14	110.6495	19.116	16
874	643	849	0:SP3_SP2_SP3	B[6]	C[6a]	P[6]	3:4:3:1:	4:3:3:	3:4:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](B[6]C[6,6a]P[6]H)(C[6a]C[6a]F)2	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H){10|C<3>,3|F<1>}	C[6a](B[6]C[6,6a]P[6]H)(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	110.6154	21.947	14	110.6495	19.116	16
874	643	849	0:SP3_SP2_SP3	B[6]	C[6a]	P[6]	4:3:3:4:	4:3:3:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){3|H<1>,4|F<1>,9|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,6|C<3>}	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,6|H<1>,9|C<3>}	107.8890	1.112	2	110.4642	14.543	4	110.4642	14.543	4	110.4642	14.543	4	110.6154	21.947	14	110.6495	19.116	16
874	643	849	0:SP3_SP2_SP3	B[6]	C[6a]	P[6]	4:3:3:4:	4:3:3:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){3|H<1>,4|F<1>,9|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,6|C<3>}	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){2|H<1>,5|C<4>,9|C<3>}	113.0395	3.983	2	110.4642	14.543	4	110.4642	14.543	4	110.4642	14.543	4	110.6154	21.947	14	110.6495	19.116	16
874	643	849	0:SP3_SP2_SP3	B[6]	C[6a]	P[6]	4:3:3:4:	4:3:3:	4:4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:B[6]-4:C[6a]-3:C[6a]-3:	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	P[6](C[5,6]C[5,6]C[5]Fe)(B[6]C[6a]2C[6])(C[6a]C[6a]2)2	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH){1|Fe<10>,2|C<4>,2|H<1>,4|F<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,5|C<3>}	P[6](C[5,6]C[5,6]C[5]Fe)(B[6]C[6a]2C[6])(C[6a]C[6a]2)2{3|C<4>,7|H<1>,8|C<3>}	111.0820	10.601	2	111.0820	112.380	2	111.0820	112.380	2	111.0820	112.380	2	110.6154	21.947	14	110.6495	19.116	16
874	643	849	0:SP3_SP2_SP3	B[6]	C[6a]	P[6]	4:3:4:4:	4:3:3:	4:3:3:4:	P[6]-4:C[6a]-3:C[6]-4:C-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP)	C[6a](B[6]C[6]P[6]C)(C[6a]C[6a]H)2	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH)	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP){1|B<4>,4|H<1>,8|C<3>}	C[6a](B[6]C[6]P[6]C)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|P<4>,6|H<1>,7|C<3>}	109.8973	0.738	3	109.8973	0.545	3	109.8973	0.545	3	109.8973	0.545	3	110.6154	21.947	14	110.6495	19.116	16
874	643	849	6:SP3_SP2_SP3	B[6]	C[6,6a]	P[6]	3:3:3:4:	3:4:3:	4:2:4:4:	C[6,6a]-3:C[6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:N[6]-2:C-4:C-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(P[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]P[6])(B[6]C[6a]2P[6])(C[6a]C[6a]F)	P[6](B[6]C[6,6a]C[6a]2)(N[6]P[6])(CCCH)2	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(P[6]N[6]CC){1|P<4>,5|F<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(B[6]C[6a]2P[6])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<4>,5|C<3>}	P[6](B[6]C[6,6a]C[6a]2)(N[6]P[6])(CCCH)2{2|C<4>,6|C<3>}	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	106.4935	21.210	2	106.4935	21.210	2
874	643	849	6:SP3_SP2_SP3	B[6]	C[6,6a]	P[6]	3:4:3:1:	3:4:3:	3:4:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]P[6]H)(C[6a]C[6a]F)	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H){10|C<3>,3|F<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]P[6]H)(C[6a]C[6a]F){2|F<1>,7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	103.2370	0.000	1	103.2370	0.000	1	103.2370	0.000	1	103.2370	0.000	1	106.4935	21.210	2	106.4935	21.210	2
874	643	854	0:SP3_SP2_SP3	B[6,6]	C[6a]	N[6,6]	4:3:2:2:	4:3:3:	4:4:4:1:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2	C[6a](B[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2{10|H<1>,2|C<3>,2|C<4>}	C[6a](B[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	109.0295	1.842	2	109.0295	3.393	2	109.0295	3.393	2	109.0295	3.393	2	110.5193	8.355	3	111.6609	10.074	8
874	643	854	0:SP3_SP2_SP3	B[6,6]	C[6a]	N[6,6]	4:3:2:2:	4:3:3:	4:4:4:4:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6]-4:C[6]-4:C[6]-4:C-4:	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](B[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH)	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2{6|C<3>,6|H<1>}	C[6a](B[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH){6|C<3>}	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	110.5193	8.355	3	111.6609	10.074	8
874	643	854	0:SP3_SP2_SP3	B[6]	C[6a]	N[6,6]	4:3:2:1:	4:3:3:	3:4:4:4:	N[6,6]-4:C[6a]-3:H[6]-2:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H)	C[6a](B[6]N[6,6]H[6]H)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6a](B[6]N[6,6]H[6]H)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	113.6950	0.187	2	113.6950	0.035	2	113.6950	0.035	2	113.6950	0.035	2	113.6950	0.035	2	111.6609	10.074	8
874	643	854	0:SP3_SP2_SP3	B[6]	C[6a]	N[6]	3:3:4:2:	4:3:3:	4:2:4:1:	C[6a]-3:C[6a]-3:N[6]-4:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:O[6]-2:C-4:H-1:	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H)	B[6](C[6a]C[6a]2)2(N[6]O[6]CH)(O[6]N[6]){1|B<4>,1|C<4>,4|C<3>,5|H<1>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](B[6]C[6a]2O[6])(O[6]B[6])(CH3)(H){1|N<4>,6|C<3>}	109.8735	5.158	2	109.8735	26.609	2	109.8735	26.609	2	109.8735	26.609	2	111.4463	20.726	3	111.6609	10.074	8
874	643	854	0:SP3_SP2_SP3	B[6]	C[6a]	N[6]	4:3:2:1:	4:3:3:	3:4:4:4:	N[6]-4:C[6a]-3:H[6]-2:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H)	C[6a](B[6]H[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](B[6]H[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	111.4463	20.726	3	111.6609	10.074	8
874	643	856	0:SP3_SP2_SP2	B[3x6]	C[6,6,6a]	N[6]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6,6a]-3:B[3x6]-4:C[6a]-3:	B[3x6]-4:C[6]-3:C[6]-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)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(B[3x6]C[6,6]2N[6])(C[6a]C[6a]H)	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2	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>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(B[3x6]C[6,6]2N[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2{4|H<1>,5|C<3>}	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6,6,6a]	N[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:B[6,6]-4:	B[6,6]-4:C[6]-3:C[6]-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)	C[6,6,6a](C[6,6a,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]2N[6])	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	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>}	C[6,6,6a](C[6,6a,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]2N[6]){10|C<3>,1|H<1>}	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>}	107.7675	0.477	2	107.7675	0.228	2	107.7675	0.228	2	105.8568	3.066	6	105.8568	3.066	6	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6,6,6a]	N[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:B[6,6]-4:	B[6,6]-4:C[6]-3:C[6]-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)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2N[6])	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	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>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2N[6]){2|H<1>,9|C<3>}	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>}	104.9015	1.176	4	104.9015	1.383	4	104.9015	1.383	4	105.8568	3.066	6	105.8568	3.066	6	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6,6a]	N[6,6]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:O[6]-2:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6]-4:C[6,6]-3:C[6]-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])	C[6,6a](B[6,6]C[6,6a]N[6,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]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]){1|B<4>,3|H<1>,8|C<3>}	C[6,6a](B[6,6]C[6,6a]N[6,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	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>}	108.7565	1.489	4	108.7565	2.218	4	108.7565	2.218	4	108.7565	2.218	4	108.7565	2.218	4	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6,6a]	N[6]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6,6a]-3:B[6,6]-4:C[6a]-3:	B[6,6]-4:C[6]-3:C[6]-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)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	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>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,9|C<3>}	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>}	102.8320	2.393	2	102.8320	5.726	2	102.8320	5.726	2	102.8320	5.726	2	104.5118	2.010	12	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	B[6,6]-4:C[6,6a,6a]-3:C[6a]-3:	B[6,6]-4:C[6]-3:C[6]-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)	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	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>}	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	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>}	103.7085	0.566	2	103.7085	0.321	2	103.7085	0.321	2	104.8477	1.069	10	104.5118	2.010	12	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:N[6]-3:	B[6,6]-4:C[6,6a,6a]-3:C[6a]-3:	B[6,6]-4:C[6]-3:C[6]-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)	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	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>}	C[6,6a](B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	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>}	105.1325	0.930	8	105.1325	0.865	8	105.1325	0.865	8	104.8477	1.069	10	104.5118	2.010	12	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6a]	N[3x6]	3:3:2:2:	4:3:3:	3:3:4:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2)	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>}	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	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>}	111.6040	0.000	1	111.6040	0.000	1	109.5926	1.434	5	109.5926	1.434	5	109.9344	1.433	7	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6a]	N[3x6]	3:3:2:2:	4:3:3:	3:3:4:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)2	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2)	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>}	C[6a](B[6,6]N[3x6]O[6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	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>}	109.0898	0.476	4	109.0898	0.227	4	109.5926	1.434	5	109.5926	1.434	5	109.9344	1.433	7	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6a]	N[3x6]	3:3:3:3:	4:3:3:	4:3:3:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](B[6,6]N[3x6]N[6]2)(C[6a]C[6a]H)2	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	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>}	C[6a](B[6,6]N[3x6]N[6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	111.4290	0.000	1	110.7890	0.819	2	110.7890	0.819	2	110.7890	0.819	2	109.9344	1.433	7	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6a]	N[3x6]	3:3:3:3:	4:3:3:	4:3:3:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](B[6,6]N[3x6]N[6]2)(C[6a]C[6a]H)2	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	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>}	C[6a](B[6,6]N[3x6]N[6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	110.1490	0.000	1	110.7890	0.819	2	110.7890	0.819	2	110.7890	0.819	2	109.9344	1.433	7	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6]-4:C[6]-3:H-1:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](B[6,6]N[3x6]N[6]2)(C[6a]C[6a]H)2	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H)	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>}	C[6a](B[6,6]N[3x6]N[6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	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>}	111.6230	1.226	2	111.6230	1.503	2	111.3113	0.636	4	111.3113	0.636	4	111.3113	0.636	4	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6,6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6]-4:C[6]-3:H-1:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](B[6,6]N[3x6]N[6]2)(C[6a]C[6a]H)2	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H)	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>}	C[6a](B[6,6]N[3x6]N[6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	110.9995	0.128	2	110.9995	0.016	2	111.3113	0.636	4	111.3113	0.636	4	111.3113	0.636	4	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:C[6]-3:C[6]-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)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[5,6]N[6]H)(C[6a]C[6a]H)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]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){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[5,6]N[6]H)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	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>}	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-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)	C[6a](B[6]C[6,6a]N[6,6]F)(C[6a]C[6a]H)2	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(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){1|N<3>,4|H<1>,6|C<3>}	C[6a](B[6]C[6,6a]N[6,6]F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	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>}	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:2:	4:3:3:	3:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)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)	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>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	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>}	108.0455	1.213	2	108.0455	1.471	2	108.0455	1.471	2	107.7752	0.642	4	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:2:	4:3:3:	3:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[5a,6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[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]){1|N<3>,5|H<1>,7|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	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>}	107.5050	0.404	2	107.5050	0.164	2	107.5050	0.164	2	107.7752	0.642	4	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){1|C<4>,5|H<1>,7|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	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>}	108.6130	2.840	2	107.8966	1.975	14	107.9885	1.842	24	107.9885	1.842	24	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){1|C<4>,6|C<3>,7|H<1>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	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>}	107.1680	0.979	4	107.8966	1.975	14	107.9885	1.842	24	107.9885	1.842	24	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){1|C<4>,6|H<1>,7|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	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>}	107.1925	0.457	2	107.8966	1.975	14	107.9885	1.842	24	107.9885	1.842	24	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){5|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	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>}	108.3072	1.561	4	107.8966	1.975	14	107.9885	1.842	24	107.9885	1.842	24	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){5|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	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>}	108.5205	1.273	2	107.8966	1.975	14	107.9885	1.842	24	107.9885	1.842	24	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(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]){1|N<2>,5|H<1>,7|C<3>}	C[6a](B[6]N[6,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	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>}	108.1170	1.351	10	108.1170	1.824	10	107.9885	1.842	24	107.9885	1.842	24	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-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	C[6a](B[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(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{1|N<3>,6|H<1>,8|C<3>}	C[6a](B[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	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>}	109.2715	0.088	2	109.2715	0.008	2	109.2715	0.008	2	108.4564	2.402	16	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-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	C[6a](B[6]N[5,6]N[6,6]C[6a])(C[6a]C[6a]H)2	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[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{1|N<2>,1|O<1>,5|H<1>,8|C<3>}	C[6a](B[6]N[5,6]N[6,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	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>}	107.6675	0.694	2	107.6675	0.481	2	107.6675	0.481	2	108.4564	2.402	16	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:N[6,6]-3:C[6]-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	C[6a](B[6]N[5a,6]N[6,6]C[6a])(C[6a]C[6a]H)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)	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>}	C[6a](B[6]N[5a,6]N[6,6]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|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>}	108.6723	0.812	4	108.6723	0.660	4	108.6723	0.660	4	108.4564	2.402	16	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	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>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	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>}	108.7500	1.986	2	108.7782	5.224	6	108.7782	5.224	6	108.4564	2.402	16	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	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>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	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>}	108.7922	2.719	4	108.7782	5.224	6	108.7782	5.224	6	108.4564	2.402	16	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(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{10|C<3>,5|H<1>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	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>}	107.0330	0.132	2	107.0330	0.017	2	107.0330	0.017	2	108.4564	2.402	16	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:4:3:3:	4:3:3:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[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{1|H<1>,4|F<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,6|C<3>}	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>}	108.6839	4.730	8	108.6839	22.370	8	108.2932	19.890	20	108.2932	19.890	20	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:4:3:3:	4:3:3:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[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{1|H<1>,1|N<3>,4|F<1>,7|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,6|C<3>}	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>}	106.1228	6.260	4	106.1228	39.194	4	108.2932	19.890	20	108.2932	19.890	20	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:4:3:3:	4:3:3:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[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{1|H<1>,4|C<4>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	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>}	109.2970	5.682	2	110.0615	21.516	4	108.2932	19.890	20	108.2932	19.890	20	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:4:3:3:	4:3:3:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[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{1|H<1>,4|C<4>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	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>}	110.8260	5.470	2	110.0615	21.516	4	108.2932	19.890	20	108.2932	19.890	20	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:4:3:3:	4:3:3:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[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{2|F<1>,3|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,6|C<3>}	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>}	106.5590	0.000	1	106.5590	0.000	1	108.2932	19.890	20	108.2932	19.890	20	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:4:3:3:	4:3:3:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[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{2|F<1>,3|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	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>}	109.9030	0.000	1	108.3653	1.796	3	108.2932	19.890	20	108.2932	19.890	20	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6,6]	3:4:3:3:	4:3:3:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[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{5|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	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>}	107.5965	0.211	2	108.3653	1.796	3	108.2932	19.890	20	108.2932	19.890	20	108.2132	7.250	65	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:2:3:2:	4:3:3:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	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>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	108.8260	1.013	2	108.8260	1.025	2	108.8272	1.115	9	108.8272	1.115	9	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:2:3:2:	4:3:3:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	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>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	109.4710	0.928	2	109.4710	0.861	2	108.8272	1.115	9	108.8272	1.115	9	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:2:3:2:	4:3:3:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	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>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	109.0775	2.037	2	109.0775	4.150	2	108.8272	1.115	9	108.8272	1.115	9	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:2:3:2:	4:3:3:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	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>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	108.4755	0.718	2	108.4755	0.515	2	108.8272	1.115	9	108.8272	1.115	9	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:2:3:2:	4:3:3:	4:3:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	107.7450	0.000	1	107.7450	0.000	1	108.8272	1.115	9	108.8272	1.115	9	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:2:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:O[6]-2:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C)	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH)	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C){5|H<1>,6|C<3>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH){6|C<3>}	109.0405	2.877	2	109.0405	8.278	2	109.0405	8.278	2	109.0405	8.278	2	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:F-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F)	C[6a](B[6]C[6,6a]N[6]F)(C[6a]C[6a]F)2	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH)	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>}	C[6a](B[6]C[6,6a]N[6]F)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH){1|C<4>,4|C<3>}	109.5105	1.584	4	109.5105	2.510	4	109.5105	2.510	4	109.5105	2.510	4	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	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>}	109.9605	1.907	2	109.9605	3.637	2	109.7109	1.399	9	111.4384	9.071	27	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	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>}	109.6396	1.110	7	109.6396	1.233	7	109.7109	1.399	9	111.4384	9.071	27	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	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>}	112.6031	3.416	14	112.4803	11.834	16	112.3021	10.845	18	111.4384	9.071	27	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,8|C<3>}	111.6210	4.910	2	112.4803	11.834	16	112.3021	10.845	18	111.4384	9.071	27	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	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>}	110.8765	1.513	2	110.8765	2.288	2	112.3021	10.845	18	111.4384	9.071	27	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(N[6]C[6])	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){1|C<4>,5|C<3>}	110.2790	5.183	2	110.2790	26.864	2	110.2790	26.864	2	111.4725	7.172	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3){2|C<4>,4|C<3>}	110.3290	4.033	2	110.3290	16.268	2	111.6217	6.124	16	111.4725	7.172	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	112.3850	2.858	4	112.3850	8.168	4	111.6217	6.124	16	111.4725	7.172	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,5|C<3>}	112.9762	2.885	4	112.9762	8.325	4	111.6217	6.124	16	111.4725	7.172	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	110.7745	1.930	2	110.6407	1.465	6	111.6217	6.124	16	111.4725	7.172	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	110.5738	1.087	4	110.6407	1.465	6	111.6217	6.124	16	111.4725	7.172	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	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>}	113.1515	3.795	2	113.1887	10.895	4	113.1887	10.895	4	113.1887	10.895	4	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]2)(O[6]C[6])	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	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>}	C[6a](B[6]C[6a]N[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	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>}	113.2260	4.275	2	113.1887	10.895	4	113.1887	10.895	4	113.1887	10.895	4	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H){1|H<1>,1|N<3>,7|C<3>}	111.5918	0.386	6	111.5918	0.149	6	111.5918	0.149	6	111.5918	0.149	6	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6a]-3:H-1:	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H)	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H){2|N<3>,7|C<3>}	111.8383	2.168	4	111.8383	4.700	4	111.8383	4.700	4	109.8451	5.628	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H)	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>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H){1|H<1>,6|C<3>}	110.6320	1.155	2	110.6320	1.335	2	110.2530	2.307	6	109.8451	5.628	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H)	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>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H){1|H<1>,8|C<3>}	110.0635	1.804	4	110.0635	3.256	4	110.2530	2.307	6	109.8451	5.628	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H)	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H){8|C<3>}	109.0080	0.841	2	109.0080	0.708	2	108.5426	5.654	8	109.8451	5.628	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H)	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H){1|N<2>,6|C<3>}	108.3745	0.845	4	108.3745	0.714	4	108.5426	5.654	8	109.8451	5.628	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H)	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{1|H<1>,1|P<4>,2|F<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H){1|P<3>,1|P<4>,5|C<3>}	108.4135	6.013	2	108.4135	36.151	2	108.5426	5.654	8	109.8451	5.628	18	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,8|C<3>}	111.1595	1.070	4	111.1595	1.144	4	111.1595	1.144	4	110.7250	1.210	6	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:2:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2{1|C<4>,4|H<1>,9|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,8|C<3>}	109.8560	0.593	2	109.8560	0.351	2	109.8560	0.351	2	110.7250	1.210	6	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6]-3:	B[6](C[6]C[6,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[6]C[6]2N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2	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>}	C[6a](B[6]C[6]2N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	110.8736	7.351	21	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[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{10|C<3>,5|H<1>}	C[6a](B[6]N[6,6]C[6a]N[6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	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>}	111.3910	0.160	2	111.3910	0.026	2	111.3910	0.026	2	110.8736	7.351	21	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	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>}	111.9140	3.315	2	111.9140	10.989	2	111.9140	10.989	2	110.8736	7.351	21	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	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>}	109.8805	0.455	2	110.3116	3.879	12	110.3116	3.879	12	110.8736	7.351	21	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	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>}	110.3978	2.161	10	110.3116	3.879	12	110.3116	3.879	12	110.8736	7.351	21	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,9|C<3>}	111.1630	1.500	2	110.2855	16.567	4	110.2855	16.567	4	110.8736	7.351	21	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,9|C<3>}	109.4080	6.661	2	110.2855	16.567	4	110.2855	16.567	4	110.8736	7.351	21	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){2|C<4>,5|C<3>}	107.2285	2.589	2	107.2285	6.701	2	108.6287	9.683	4	108.6287	9.683	4	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH)	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH){2|C<4>,5|C<3>}	110.0290	3.808	2	110.0290	14.504	2	108.6287	9.683	4	108.6287	9.683	4	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:P[6]-4:C[6a]-3:	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H)	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{1|H<1>,1|P<4>,2|F<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){11|C<3>,1|P<3>,3|H<1>}	112.9495	7.308	2	112.9495	53.406	2	112.9495	53.406	2	109.4132	37.556	6	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:4:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:P[6]-4:C[6a]-3:	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2{13|C<3>,4|F<1>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{2|F<1>,2|P<4>,5|C<3>}	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){12|C<3>,1|P<4>,2|H<1>}	107.6450	5.682	4	107.6450	32.286	4	107.6450	32.286	4	109.4132	37.556	6	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6a]-3:	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2)	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>}	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,5|C<3>}	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>}	108.7805	3.679	2	108.7805	13.536	2	108.7805	13.536	2	108.7805	13.536	2	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH)	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6])	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH){1|N<2>,4|F<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,1|N<2>,1|P<4>,2|F<1>,4|C<3>}	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6]){1|H<1>,1|P<4>,3|C<4>,6|C<3>}	107.6925	5.008	2	107.6925	25.084	2	107.6925	25.084	2	107.6925	25.084	2	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	4:4:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6]-3:	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[6]C[5,6]2N[6])(C[6a]C[6a]H)2	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	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>}	C[6a](B[6]C[5,6]2N[6])(C[6a]C[6a]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	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>}	106.1750	0.000	1	106.1243	0.011	3	106.1243	0.011	3	106.1243	0.011	3	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	4:4:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6]-3:	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[6]C[5,6]2N[6])(C[6a]C[6a]H)2	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	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>}	C[6a](B[6]C[5,6]2N[6])(C[6a]C[6a]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	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>}	106.0990	0.134	2	106.1243	0.011	3	106.1243	0.011	3	106.1243	0.011	3	110.4957	8.714	132	109.4107	9.996	232
874	643	856	0:SP3_SP2_SP3	B[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:N[6]-3:	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C)	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2{1|C<4>,4|H<1>,9|C<3>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|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>}	107.4825	2.874	2	107.4825	8.262	2	107.4825	8.262	2	107.4825	8.262	2	107.4825	8.262	2	107.4825	8.262	2
874	643	856	6:SP3_SP2_SP2	B[6]	C[6,6a]	N[6,6]	3:3:2:2:	3:4:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(B[6]N[6,6]OO)(C[6a]C[6a]H)	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O)	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>}	C[6,6a](C[6,6a]C[6a]N[6])(B[6]N[6,6]OO)(C[6a]C[6a]H){3|C<3>,3|H<1>}	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>}	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	107.0950	1.793	3	106.8151	0.761	7
874	643	856	6:SP3_SP2_SP2	B[6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:F-1:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-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)	C[6,6a](B[6]N[6,6]C[6a]F)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(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){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](B[6]N[6,6]C[6a]F)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	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>}	107.9370	0.000	1	107.9370	0.000	1	107.9370	0.000	1	107.9370	0.000	1	107.0950	1.793	3	106.8151	0.761	7
874	643	856	6:SP3_SP2_SP2	B[6]	C[6,6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-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	C[6,6a](B[6]N[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(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{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](B[6]N[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	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>}	105.5510	0.000	1	105.5510	0.000	1	105.5510	0.000	1	105.5510	0.000	1	107.0950	1.793	3	106.8151	0.761	7
874	643	856	6:SP3_SP2_SP2	B[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:F-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F)	C[6,6a](C[6,6a]C[6a]N[6])(B[6]C[6a]N[6]F)(C[6a]C[6a]F)	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH)	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>}	C[6,6a](C[6,6a]C[6a]N[6])(B[6]C[6a]N[6]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,4|C<3>}	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH){1|C<4>,4|C<3>}	106.6052	0.436	4	106.6052	0.190	4	106.6052	0.190	4	106.6052	0.190	4	106.6052	0.190	4	106.8151	0.761	7
874	643	874	6:SP3_SP2_SP3	B[6,6]	C[6,6a]	B[6,6]	3:3:4:1:	4:3:3:	3:3:4:1:	C[6,6a]-3:C[6,6a]-3:B[6,6]-4:H-1:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B[6,6]-4:H-1:	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H)	C[6,6a](B[6,6]C[6,6a]B[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H){2|H<1>,8|C<3>}	C[6,6a](B[6,6]C[6,6a]B[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H){2|H<1>,8|C<3>}	108.0270	4.256	4	108.0270	18.116	4	108.0270	18.116	4	108.0270	18.116	4	112.3870	57.093	6	114.0864	53.397	8
874	643	874	6:SP3_SP2_SP3	B[6,6]	C[6,6a]	B[6,6]	3:4:4:1:	4:3:3:	3:4:4:3:	C[6,6a]-3:B[6,6]-4:P[6]-4:H-1:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6,6]-4:P[6]-4:P-3:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H)	C[6,6a](B[6,6]B[6,6]P[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2)	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H){4|C<3>,5|H<1>,7|C<4>}	C[6,6a](B[6,6]B[6,6]P[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|P<3>,1|P<4>,2|C<3>,3|C<4>,4|H<1>}	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2){4|C<3>,5|H<1>,7|C<4>}	122.3320	0.000	1	122.3320	0.000	1	122.3320	0.000	1	122.3320	0.000	1	112.3870	57.093	6	114.0864	53.397	8
874	643	874	6:SP3_SP2_SP3	B[6,6]	C[6,6a]	B[6,6]	3:4:4:3:	4:3:3:	3:4:4:1:	C[6,6a]-3:B[6,6]-4:P[6]-4:P-3:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6,6]-4:P[6]-4:H-1:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2)	C[6,6a](B[6,6]B[6,6]P[6]P)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H)	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2){4|C<3>,5|H<1>,7|C<4>}	C[6,6a](B[6,6]B[6,6]P[6]P)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,3|C<4>,5|H<1>}	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H){4|C<3>,5|H<1>,7|C<4>}	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	112.3870	57.093	6	114.0864	53.397	8
874	643	874	6:SP3_SP2_SP3	B[6]	C[6,6a]	B[6]	3:4:3:1:	3:4:3:	4:4:4:1:	C[6,6a]-3:B[6]-4:P-3:Br-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:P[6]-4:P-4:H-1:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H){1|C<3>,2|P<4>,5|H<1>}	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H){2|C<3>,4|C<4>,4|H<1>}	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	119.1845	19.004	2	114.0864	53.397	8
874	643	874	6:SP3_SP2_SP3	B[6]	C[6,6a]	B[6]	3:4:4:1:	3:4:3:	4:4:3:1:	C[6,6a]-3:B[6]-4:P-4:Br-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:P[6]-4:P-3:H-1:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,5|H<1>}	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H){2|C<3>,4|C<4>,4|H<1>}	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	119.1845	19.004	2	114.0864	53.397	8
874	643	876	0:SP3_SP-NON_SP2	B[6]	C[6a]	H	3:3:3:2:	4:3:3:	4:4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	C[6a](B[6]N[5a,6]2H)(C[6a]C[6a]H)2	H(B[6]N[5a,6]2C[6a])2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(B[6]N[5a,6]2C[6a])2	114.2740	11.684	2	114.2740	136.521	2	114.2740	136.521	2	114.2740	136.521	2	114.2740	136.521	2	114.2740	136.521	2
874	643	887	0:SP3_SP2_SP3	B[6]	C[6,6a]	S	3:3:3:1:	3:3:4:	4:4:4:	C[6,6a]-3:C[6,6a]-3:S-3:H-1:	C[6a,6a]-3:C[6,6a]-3:B[6]-4:	B[6]-4:C-4:C-4:	B[6](C[6,6a]C[6a,6a]C[6,6a])2(SCC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(B[6]C[6,6a]HS)	S(B[6]C[6,6a]2H)(CH3)2	B[6](C[6,6a]C[6a,6a]C[6,6a])2(SCC)(H){1|B<4>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(B[6]C[6,6a]HS){1|S<3>,2|H<1>,6|C<3>}	S(B[6]C[6,6a]2H)(CH3)2	102.2979	5.947	2	102.2979	35.366	2	102.2979	35.366	2	102.2979	35.366	2	104.2748	9.677	6	104.2748	9.677	6
874	643	887	0:SP3_SP2_SP3	B[6]	C[6,6a]	S	3:3:3:1:	3:4:3:	4:4:4:	C[6,6a]-3:C[6,6a]-3:S-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:C-4:C-4:	B[6](C[6,6a]C[6,6a]C[6a])2(SCC)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HS)(C[6a]C[6a]H)	S(B[6]C[6,6a]2H)(CH3)2	B[6](C[6,6a]C[6,6a]C[6a])2(SCC)(H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HS)(C[6a]C[6a]H){1|S<3>,3|C<3>,3|H<1>}	S(B[6]C[6,6a]2H)(CH3)2	105.2632	0.657	4	105.2632	0.431	4	105.2632	0.431	4	105.2632	0.431	4	104.2748	9.677	6	104.2748	9.677	6
874	643	893	0:SP3_SP2_SP2	B[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:3:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:C-3:	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(B[6]N[6,6]OO)(C[6a]C[6a]H)	O(B[6]C[6,6a]N[6,6]O)(CCO)	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>}	C[6,6a](C[6,6a]C[6a]N[6])(B[6]N[6,6]OO)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(B[6]C[6,6a]N[6,6]O)(CCO)	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	108.2573	11.030	3	109.0815	14.888	6
874	643	893	0:SP3_SP2_SP2	B[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	O(B[6]C[6,6a]2C[6a])(CHO)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	O(B[6]C[6,6a]2C[6a])(CHO)	106.3405	0.122	2	106.3405	0.015	2	106.3405	0.015	2	106.3405	0.015	2	108.2573	11.030	3	109.0815	14.888	6
874	643	893	0:SP3_SP2_SP2	B[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:3:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:B-3:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2	O(B[6]C[6a]N[6]O[6])(BC[6a]O)	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>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O(B[6]C[6a]N[6]O[6])(BC[6a]O)	112.7290	0.692	2	112.7290	0.478	2	112.7290	0.478	2	112.7290	0.478	2	109.9057	24.153	3	109.0815	14.888	6
874	643	893	0:SP3_SP2_SP2	B[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C-3:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](B[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]P)	O(B[6]C[6,6a]2C[6a])(CHO)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6a](B[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	O(B[6]C[6,6a]2C[6a])(CHO)	104.2590	0.000	1	104.2590	0.000	1	104.2590	0.000	1	104.2590	0.000	1	109.9057	24.153	3	109.0815	14.888	6
874	643	893	0:SP3_SP2_SP3	B[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:1:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:H-1:	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(B[6]N[6,6]OO)(C[6a]C[6a]H)	O(B[6]C[6,6a]N[6,6]O)(H)	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>}	C[6,6a](C[6,6a]C[6a]N[6])(B[6]N[6,6]OO)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(B[6]C[6,6a]N[6,6]O)(H)	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	108.1450	6.995	3	110.9852	6.167	19
874	643	893	0:SP3_SP2_SP3	B[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:H-1:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	O(B[6]C[6,6a]2C[6a])(H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	O(B[6]C[6,6a]2C[6a])(H)	106.6215	0.254	2	106.6215	0.064	2	106.6215	0.064	2	106.6215	0.064	2	108.1450	6.995	3	110.9852	6.167	19
874	643	893	0:SP3_SP2_SP3	B[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H)	O(B[6]C[6a]N[6]O[6])2	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>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(B[6]C[6a]N[6]O[6])2	114.0345	0.571	2	113.9048	0.380	4	112.9638	2.354	6	112.6447	2.674	7	111.5177	4.552	16	110.9852	6.167	19
874	643	893	0:SP3_SP2_SP3	B[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H)	O(B[6]C[6a]N[6]O[6])2	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>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(B[6]C[6a]N[6]O[6])2	113.7750	0.864	2	113.9048	0.380	4	112.9638	2.354	6	112.6447	2.674	7	111.5177	4.552	16	110.9852	6.167	19
874	643	893	0:SP3_SP2_SP3	B[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2	O(B[6]C[6a]N[6]O[6])2	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>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O(B[6]C[6a]N[6]O[6])2	111.0820	0.074	2	111.0820	0.005	2	112.9638	2.354	6	112.6447	2.674	7	111.5177	4.552	16	110.9852	6.167	19
874	643	893	0:SP3_SP2_SP3	B[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2	O(B[6]C[6a]N[6]O[6])(CH3)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	C[6a](B[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O(B[6]C[6a]N[6]O[6])(CH3)	110.7300	0.000	1	110.7300	0.000	1	110.7300	0.000	1	112.6447	2.674	7	111.5177	4.552	16	110.9852	6.167	19
874	643	893	0:SP3_SP2_SP3	B[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:H-1:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](B[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]P)	O(B[6]C[6,6a]2C[6a])(H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6a](B[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	O(B[6]C[6,6a]2C[6a])(H)	106.1260	0.000	1	106.1260	0.000	1	106.1260	0.000	1	106.1260	0.000	1	111.5177	4.552	16	110.9852	6.167	19
874	643	893	0:SP3_SP2_SP3	B[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	N[5,6]-3:N[5,6]-3:C[6a]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C-4:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC)	C[6a](B[6]N[5,6]2O)(C[6a]C[6a]H)2	O(B[6]N[5,6]2C[6a])(CH3)	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC){1|B<4>,4|H<1>,6|C<3>}	C[6a](B[6]N[5,6]2O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	O(B[6]N[5,6]2C[6a])(CH3)	111.2771	1.484	7	111.2771	2.202	7	111.2771	2.202	7	111.2055	1.928	8	111.5177	4.552	16	110.9852	6.167	19
874	643	893	0:SP3_SP2_SP3	B[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:O-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC)	C[6a](B[6]N[5a,6]2O)(C[6a]C[6a]H)2	O(B[6]N[5a,6]2C[6a])(CCHH)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC){4|H<1>,7|C<3>}	C[6a](B[6]N[5a,6]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(B[6]N[5a,6]2C[6a])(CCHH)	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	111.2055	1.928	8	111.5177	4.552	16	110.9852	6.167	19
874	643	914	0:SP3_SP2_SP2	B[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(N[6]C[6])	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2	N[6](B[6]C[6a]2N[6])(C[6]N[6]C)	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>}	C[6a](B[6]C[6a]N[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]C){2|C<4>,5|C<3>}	107.4655	4.047	2	107.4655	16.376	2	107.4655	16.376	2	107.4655	16.376	2	107.4655	16.376	2	107.4655	16.376	2
874	643	922	0:SP3_SP2_SP3	B[6]	C[6a]	S[6]	3:3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[6]-3:S[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C)	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	S[6](B[6]C[6a]2C[6])(C[6]B[6]C)(CH3)	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C){1|B<4>,1|C<4>,4|F<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,5|C<3>}	S[6](B[6]C[6a]2C[6])(C[6]B[6]C)(CH3){1|S<3>,7|C<3>}	103.6644	8.407	2	103.6644	70.675	2	103.6644	70.675	2	103.6644	70.675	2	106.3620	23.607	6	106.3620	23.607	6
874	643	922	0:SP3_SP2_SP3	B[6]	C[6a]	S[6]	3:3:3:4:	4:3:3:	4:3:4:	S[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6]-4:	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH)	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH)	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH){1|B<4>,2|H<1>,4|F<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,2|H<1>,4|C<3>}	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH){1|S<3>,4|H<1>,8|C<3>}	107.7108	2.917	4	107.7108	8.509	4	107.7108	8.509	4	107.7108	8.509	4	106.3620	23.607	6	106.3620	23.607	6
874	643	924	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	Br	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:B[6]-4:P-3:Br-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H)	Br(B[6]C[6,6a]B[6]P)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H){1|C<3>,2|P<4>,5|H<1>}	Br(B[6]C[6,6a]B[6]P)	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	107.8020	0.021	2	107.8020	0.021	2
874	643	924	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	Br	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:B[6]-4:P-4:Br-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H)	Br(B[6]C[6,6a]B[6]P)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,5|H<1>}	Br(B[6]C[6,6a]B[6]P)	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	107.8020	0.021	2	107.8020	0.021	2
874	643	941	0:SP3_SP2_SP2	B[6]	C[6,6a]	N	3:3:3:2:	4:3:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:N-2:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:C-2:	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC)	C[6,6a](B[6]C[6,6a]C[5]N)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	N(B[6]C[6,6a]2C[5])(CC)	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC){1|B<4>,2|H<1>,8|C<3>}	C[6,6a](B[6]C[6,6a]C[5]N)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	N(B[6]C[6,6a]2C[5])(CC)	105.2750	3.383	2	105.2750	11.443	2	105.2750	11.443	2	105.2750	11.443	2	105.2750	11.443	2	105.7437	6.381	3
874	643	941	0:SP3_SP2_SP2	B[6]	C[6a]	N	4:4:3:2:	4:3:3:	4:2:	C[5,6]-4:C[5,6]-4:C[6a]-3:N-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C-2:	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(NC)	C[6a](B[6]C[5,6]2N)(C[6a]C[6a]H)2	N(B[6]C[5,6]2C[6a])(CC)	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(NC){1|B<4>,2|C<3>,4|C<4>,4|H<1>}	C[6a](B[6]C[5,6]2N)(C[6a]C[6a]H)2{2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	N(B[6]C[5,6]2C[6a])(CC)	106.6810	0.000	1	106.6810	0.000	1	106.6810	0.000	1	106.6810	0.000	1	106.6810	0.000	1	105.7437	6.381	3
874	643	945	0:SP3_SP2_SP3	B[6,6]	C[6,6a]	P	3:4:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:B[6,6]-4:P[6]-4:P-3:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2)	C[6,6a](B[6,6]B[6,6]P[6]P)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	P(B[6,6]C[6,6a]B[6,6]P[6])(C[6a]C[6a]2)2	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2){4|C<3>,5|H<1>,7|C<4>}	C[6,6a](B[6,6]B[6,6]P[6]P)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,3|C<4>,5|H<1>}	P(B[6,6]C[6,6a]B[6,6]P[6])(C[6a]C[6a]2)2	98.0684	0.000	1	98.0684	0.000	1	98.0684	0.000	1	98.0684	0.000	1	98.0684	0.000	1	103.2372	53.433	2
874	643	945	0:SP3_SP2_SP3	B[6]	C[6,6a]	P	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:B[6]-4:P-3:Br-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H)	P(B[6]C[6,6a]B[6]Br)(C[6a]C[6a]2)2	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H){1|C<3>,2|P<4>,5|H<1>}	P(B[6]C[6,6a]B[6]Br)(C[6a]C[6a]2)2	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	103.2372	53.433	2
874	643	948	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H[6]	3:2:1:1:	3:3:4:	4:4:	C[6,6a]-3:H[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:	B[6]-4:B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]H[6]HH)	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]H[6]HH){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	107.3420	0.000	1	107.3420	0.000	1	108.3913	0.970	3	108.3913	0.970	3	108.3913	0.970	3	108.5007	18.186	6
874	643	948	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H[6]	3:2:1:1:	3:3:4:	4:4:	C[6,6a]-3:H[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:	B[6]-4:B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(B[6]H[6]HH)	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(B[6]H[6]HH){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	108.9160	0.537	2	108.9160	0.289	2	108.3913	0.970	3	108.3913	0.970	3	108.3913	0.970	3	108.5007	18.186	6
874	643	948	0:SP3_SP-NON_SP2	B[6]	C[6a]	H[6]	4:3:2:1:	4:3:3:	4:4:	N[6,6]-4:C[6a]-3:H[6]-2:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:B[6]-4:	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H)	C[6a](B[6]N[6,6]H[6]H)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6a](B[6]N[6,6]H[6]H)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	112.0955	4.003	2	112.0955	16.023	2	112.0955	16.023	2	108.6100	44.458	3	108.6100	44.458	3	108.5007	18.186	6
874	643	948	0:SP3_SP-NON_SP2	B[6]	C[6a]	H[6]	4:3:2:1:	4:3:3:	4:4:	N[6]-4:C[6a]-3:H[6]-2:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:B[6]-4:	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H)	C[6a](B[6]H[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](B[6]H[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	101.6390	0.000	1	101.6390	0.000	1	101.6390	0.000	1	108.6100	44.458	3	108.6100	44.458	3	108.5007	18.186	6
874	643	951	0:SP3_SP-NON_SP2	B[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:B[6,6]-4:H-1:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6]-4:	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H)	C[6,6a](B[6,6]C[6,6a]B[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	H(B[6,6]C[6,6a]2B[6,6])	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H){2|H<1>,8|C<3>}	C[6,6a](B[6,6]C[6,6a]B[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(B[6,6]C[6,6a]2B[6,6])	105.8075	1.430	4	105.8075	2.046	4	105.8075	2.046	4	105.8075	2.046	4	106.1420	2.094	5	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:B[6,6]-4:P[6]-4:H-1:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6]-4:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H)	C[6,6a](B[6,6]B[6,6]P[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(B[6,6]C[6,6a]B[6,6]P[6])	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H){4|C<3>,5|H<1>,7|C<4>}	C[6,6a](B[6,6]B[6,6]P[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|P<3>,1|P<4>,2|C<3>,3|C<4>,4|H<1>}	H(B[6,6]C[6,6a]B[6,6]P[6])	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	106.1420	2.094	5	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:H[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]H[6]HH)	H(B[6]C[6,6a]H[6]H)	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]H[6]HH){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	H(B[6]C[6,6a]H[6]H)	115.2270	2.360	2	115.2270	5.571	2	115.3438	2.907	6	115.3438	2.907	6	111.3313	16.469	24	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:H[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(B[6]H[6]HH)	H(B[6]C[6,6a]H[6]H)	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(B[6]H[6]HH){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	H(B[6]C[6,6a]H[6]H)	115.4023	1.725	4	115.4023	2.975	4	115.3438	2.907	6	115.3438	2.907	6	111.3313	16.469	24	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HH)(C[6a]C[6a]H)	H(B[6]C[6,6a]2H)	B[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(B[6]C[6,6a]2H)	108.8390	0.775	4	108.8390	0.600	4	108.8390	0.600	4	108.8390	0.600	4	111.3313	16.469	24	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:S-3:H-1:	C[6a,6a]-3:C[6,6a]-3:B[6]-4:	B[6]-4:	B[6](C[6,6a]C[6a,6a]C[6,6a])2(SCC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(B[6]C[6,6a]HS)	H(B[6]C[6,6a]2S)	B[6](C[6,6a]C[6a,6a]C[6,6a])2(SCC)(H){1|B<4>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]B[6])(B[6]C[6,6a]HS){1|S<3>,2|H<1>,6|C<3>}	H(B[6]C[6,6a]2S)	115.2430	1.031	2	115.2430	1.063	2	115.2430	1.063	2	115.2430	1.063	2	111.3313	16.469	24	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[5,6]N[6]H)(C[6a]C[6a]H)	H(B[6]C[6,6a]C[5,6]N[6])	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>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[5,6]N[6]H)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	H(B[6]C[6,6a]C[5,6]N[6])	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	112.3694	14.810	5	111.3313	16.469	24	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:S-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])2(SCC)(H)	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HS)(C[6a]C[6a]H)	H(B[6]C[6,6a]2S)	B[6](C[6,6a]C[6,6a]C[6a])2(SCC)(H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(B[6]C[6,6a]HS)(C[6a]C[6a]H){1|S<3>,3|C<3>,3|H<1>}	H(B[6]C[6,6a]2S)	113.3970	3.565	4	113.3970	12.707	4	113.3970	12.707	4	112.3694	14.810	5	111.3313	16.469	24	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	H(B[6]C[6,6a]2C[6a])	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,6|C<3>}	H(B[6]C[6,6a]2C[6a])	104.6865	0.668	2	106.7002	3.116	6	106.7002	3.116	6	106.7002	3.116	6	111.3313	16.469	24	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	B[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	H(B[6]C[6,6a]2C[6a])	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|B<4>,4|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(B[6]C[6,6a]2C[6a])	107.7070	0.995	4	106.7002	3.116	6	106.7002	3.116	6	106.7002	3.116	6	111.3313	16.469	24	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]P[6]H)(C[6a]C[6a]F)	H(B[6]C[6,6a]C[6a]P[6])	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H){10|C<3>,3|F<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]P[6]H)(C[6a]C[6a]F){2|F<1>,7|C<3>}	H(B[6]C[6,6a]C[6a]P[6])	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	111.3313	16.469	24	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](B[6]C[6,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(B[6]C[6,6a]2C[6a])	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C[6a](B[6]C[6,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	H(B[6]C[6,6a]2C[6a])	105.2020	0.000	1	105.2020	0.000	1	105.7853	0.686	3	105.7853	0.686	3	111.0507	31.470	7	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](B[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(B[6]C[6,6a]2C[6a])	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|B<4>,4|H<1>,6|C<3>}	C[6a](B[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(B[6]C[6,6a]2C[6a])	106.0770	0.928	2	106.0770	0.861	2	105.7853	0.686	3	105.7853	0.686	3	111.0507	31.470	7	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](B[6]C[6,6a]P[6]H)(C[6a]C[6a]F)2	H(B[6]C[6,6a]C[6a]P[6])	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H){10|C<3>,3|F<1>}	C[6a](B[6]C[6,6a]P[6]H)(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	H(B[6]C[6,6a]C[6a]P[6])	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	111.0507	31.470	7	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	N[6,6]-4:C[6a]-3:H[6]-2:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H)	C[6a](B[6]N[6,6]H[6]H)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(B[6]N[6,6]C[6a]H[6])	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6a](B[6]N[6,6]H[6]H)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	H(B[6]N[6,6]C[6a]H[6])	116.0765	0.421	2	116.0765	0.177	2	116.0765	0.177	2	116.7940	1.633	3	111.0507	31.470	7	110.5560	19.701	36
874	643	951	0:SP3_SP-NON_SP2	B[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	N[6]-4:C[6a]-3:H[6]-2:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H)	C[6a](B[6]H[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(B[6]C[6a]H[6]N[6])	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](B[6]H[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	H(B[6]C[6a]H[6]N[6])	118.2290	0.000	1	118.2290	0.000	1	118.2290	0.000	1	116.7940	1.633	3	111.0507	31.470	7	110.5560	19.701	36
874	643	983	0:SP3_SP1_SP2	B[6,6]	C[6a]	C	4:4:3:2:	4:3:3:	4:2:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-2:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6]-4:N-2:	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN)	C[6a](B[6,6]C[6,6]2C)(C[6a]C[6a]F)2	C(B[6,6]C[6,6]2C[6a])(NC)	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN){2|C<3>,2|C<4>,2|F<1>,8|H<1>}	C[6a](B[6,6]C[6,6]2C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>,2|H<1>,4|C<4>}	C(B[6,6]C[6,6]2C[6a])(NC)	103.9420	0.000	1	103.9420	0.000	1	103.9420	0.000	1	103.9420	0.000	1	103.9420	0.000	1	103.9420	0.000	1
874	643	992	0:SP3_SP2_SP3	B[6]	C[6,6a]	P	3:4:4:1:	3:4:3:	4:4:4:4:	C[6,6a]-3:B[6]-4:P-4:Br-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6]-4:C-4:C-4:C-4:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H)	P(B[6]C[6,6a]B[6]Br)(CH3)3	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,5|H<1>}	P(B[6]C[6,6a]B[6]Br)(CH3)3	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1
874	727	727	0:SP3_SP2_SP2	B[6]	C[5a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[5a]-3:C[5a]-3:	B[6]-4:C[5a]-3:C[5a]-3:	B[6]-4:C[5a]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2{2|S<2>,5|H<1>,8|C<3>}	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,6|C<3>}	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,6|C<3>}	115.3070	0.000	1	115.3070	0.000	1	115.3070	0.000	1	115.3070	0.000	1	115.3070	0.000	1	115.3070	0.000	1
874	727	813	0:SP3_SP2_SP2	B[6]	C[5a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[5a]-3:C[5a]-3:	B[6]-4:C[5a]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2{2|S<2>,5|H<1>,8|C<3>}	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){2|H<1>,9|C<3>}	110.8240	1.475	2	110.8240	2.176	2	109.1700	4.498	4	109.1700	4.498	4	109.1700	4.498	4	109.1700	4.498	4
874	727	813	0:SP3_SP2_SP2	B[6]	C[5a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[5a]-3:C[5a]-3:	B[6]-4:C[5a]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2{2|S<2>,5|H<1>,8|C<3>}	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,7|C<3>}	107.5160	0.612	2	107.5160	0.375	2	109.1700	4.498	4	109.1700	4.498	4	109.1700	4.498	4	109.1700	4.498	4
874	762	762	6:SP3_SP2_SP2	B[3x6]	C[6,6]	C[6,6]	3:3:3:3:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:H-1:	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)	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]H)(H)	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]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){1|C<4>,4|C<3>,5|H<1>}	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,5|C<3>}	105.0340	0.000	1	105.0340	0.000	1	105.0340	0.000	1	105.3435	0.192	2	105.1454	5.200	5	108.1340	17.024	11
874	762	762	6:SP3_SP2_SP2	B[3x6]	C[6,6]	C[6,6]	3:3:3:3:	4:3:1:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	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>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){2|H<1>,5|C<3>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){2|H<1>,5|C<3>}	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	105.3435	0.192	2	105.1454	5.200	5	108.1340	17.024	11
874	762	762	6:SP3_SP2_SP2	B[3x6]	C[6,6]	C[6,6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-3:C-3:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	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>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO){3|H<1>,4|C<3>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){2|H<1>,5|C<3>}	103.1685	0.237	2	103.1685	0.056	2	103.1685	0.056	2	103.1685	0.056	2	105.1454	5.200	5	108.1340	17.024	11
874	762	762	6:SP3_SP2_SP2	B[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	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>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	105.1454	5.200	5	108.1340	17.024	11
874	762	762	6:SP3_SP2_SP2	B[6]	C[6]	C[6]	3:3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	B[6]-4:C[6]-3:H-1:	B[6]-4:C[6]-3:Si-4:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[6]C[6]2)(Cl)	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3)	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>}	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3){1|C<4>,2|H<1>,3|C<3>}	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	110.6245	13.514	6	108.1340	17.024	11
874	762	762	6:SP3_SP2_SP2	B[6]	C[6]	C[6]	3:3:3:3:	3:4:3:	3:4:3:	C[6]-3:C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:B[6]-4:C-3:	C[6,6a]-3:B[6]-4:C-3:	B[6](C[6]C[6,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH)	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>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH){1|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH){1|H<1>,8|C<3>}	103.2960	0.000	1	103.2960	0.000	1	103.2960	0.000	1	103.2960	0.000	1	110.6245	13.514	6	108.1340	17.024	11
874	762	762	6:SP3_SP2_SP2	B[6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:N[5]-3:N[5]-3:	B[6]-4:C[6]-3:H-1:	B[6]-4:C[6]-3:Si-4:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[5]C[5]2)2	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(H)	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(SiC3)	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[5]C[5]2)2{1|C<4>,2|C<3>,2|N<3>,6|H<1>}	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(H){1|Si<4>,2|H<1>,5|C<3>}	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(SiC3){3|H<1>,5|C<3>}	112.5645	0.134	2	112.5645	0.018	2	112.5645	0.018	2	112.5645	0.018	2	110.6245	13.514	6	108.1340	17.024	11
874	762	762	6:SP3_SP2_SP2	B[6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(H)	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){1|S<3>,4|F<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2){10|C<3>,1|H<1>,2|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(H){9|C<3>}	110.9300	0.000	1	110.9300	0.000	1	111.1620	0.108	2	111.1620	0.108	2	110.6245	13.514	6	108.1340	17.024	11
874	762	762	6:SP3_SP2_SP2	B[6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6](B[6]C[6a]2C[6])(C[6]S[6]C)(H)	B[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){1|S<3>,4|F<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2){10|C<3>,1|H<1>,2|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]S[6]C)(H){7|C<3>}	111.3940	0.000	1	111.3940	0.000	1	111.1620	0.108	2	111.1620	0.108	2	110.6245	13.514	6	108.1340	17.024	11
874	762	790	0:SP3_SP-NON_SP2	B[6]	C[6]	Cl	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	B[6]-4:C[6]-3:H-1:	B[6]-4:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[6]C[6]2)(Cl)	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(B[6]C[6]2N[6])	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>}	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	Cl(B[6]C[6]2N[6])	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	110.9630	1.763	2	110.9630	1.763	2
874	762	790	0:SP3_SP-NON_SP2	B[6]	C[6]	Cl	3:3:3:1:	4:3:4:	4:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	B[6]-4:C[6]-3:Si-4:	B[6]-4:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[6]C[6]2)(Cl)	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3)	Cl(B[6]C[6]2N[6])	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>}	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3){1|C<4>,2|H<1>,3|C<3>}	Cl(B[6]C[6]2N[6])	111.9020	0.000	1	111.9020	0.000	1	111.9020	0.000	1	111.9020	0.000	1	110.9630	1.763	2	110.9630	1.763	2
874	762	813	0:SP3_SP2_SP2	B[6,6]	C[6]	N[5a,6,6]	3:3:2:3:	4:3:3:	3:4:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	B[6,6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,5|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	110.0240	0.015	2
874	762	813	0:SP3_SP2_SP2	B[6,6]	C[6]	N[5a,6]	3:3:2:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	B[6,6]-4:C[6]-3:C[6]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,5|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	110.0240	0.015	2
874	762	856	0:SP3_SP2_SP2	B[3x6]	C[6,6]	N[6]	3:3:3:3:	4:3:1:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-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)	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]H)(H)	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2	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>}	C[6,6](B[3x6]C[6,6,6a]C[6,6]N[6])(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,5|C<3>}	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2{4|H<1>,5|C<3>}	115.5505	0.487	2	115.5505	0.237	2	115.5505	0.237	2	115.6445	0.614	4	115.2406	2.589	7	112.1526	20.217	11
874	762	856	0:SP3_SP2_SP2	B[3x6]	C[6,6]	N[6]	3:3:3:3:	4:3:1:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	B[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	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>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){2|H<1>,5|C<3>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{4|H<1>,5|C<3>}	115.7385	1.252	2	115.7385	1.568	2	115.7385	1.568	2	115.6445	0.614	4	115.2406	2.589	7	112.1526	20.217	11
874	762	856	0:SP3_SP2_SP2	B[3x6]	C[6,6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-3:C-3:	B[3x6]-4:C[6]-3:C[6]-3:	B[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	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>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO){3|H<1>,4|C<3>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{4|H<1>,5|C<3>}	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	115.2406	2.589	7	112.1526	20.217	11
874	762	856	0:SP3_SP2_SP2	B[3x6]	C[6,6]	N[6]	4:3:3:3:	4:3:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	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>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	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>}	116.1065	0.581	2	116.1065	0.337	2	116.1065	0.337	2	116.1065	0.337	2	115.2406	2.589	7	112.1526	20.217	11
874	762	856	0:SP3_SP2_SP2	B[6]	C[6]	N[6]	3:3:3:1:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	B[6]-4:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[6]C[6]2)(Cl)	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(H)	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2	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>}	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2{1|Si<4>,3|C<3>,3|H<1>}	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	106.7488	1.026	4	112.1526	20.217	11
874	762	856	0:SP3_SP2_SP2	B[6]	C[6]	N[6]	3:3:3:1:	4:3:4:	4:3:3:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	B[6]-4:C[6]-3:Si-4:	B[6]-4:C[6]-3:C[6]-3:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[6]C[6]2)(Cl)	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3)	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2	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>}	C[6](B[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3){1|C<4>,2|H<1>,3|C<3>}	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2{1|Si<4>,3|C<3>,3|H<1>}	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	106.7488	1.026	4	112.1526	20.217	11
874	762	856	0:SP3_SP2_SP2	B[6]	C[6]	N[6]	3:3:3:3:	3:4:3:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:B[6]-4:C-3:	B[6]-4:C[6]-3:C[6]-3:	B[6](C[6]C[6,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH)	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2	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>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH){1|H<1>,8|C<3>}	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	105.8785	0.218	2	105.8785	0.048	2	105.8785	0.048	2	105.8785	0.048	2	106.7488	1.026	4	112.1526	20.217	11
874	762	893	0:SP3_SP2_SP3	B[6]	C[6]	O	3:3:2:2:	4:3:3:	4:1:	C[6]-3:O[6]-3:O[6]-2:O-2:	B[6]-4:N[6]-3:C[6]-3:	B[6]-4:H-1:	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH)	C[6](B[6]O[6]2O)(N[6]C[6]Ir)(C[6]C[6]H)	O(B[6]C[6]O[6]2)(H)	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH){1|H<1>,3|C<3>,3|O<2>}	C[6](B[6]O[6]2O)(N[6]C[6]Ir)(C[6]C[6]H){1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O(B[6]C[6]O[6]2)(H)	111.8955	2.911	2	111.8955	8.475	2	111.8955	8.475	2	111.8955	8.475	2	111.8955	8.475	2	111.8955	8.475	2
874	762	922	6:SP3_SP2_SP3	B[6]	C[6]	S[6]	3:3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[6]-3:S[6]-3:	B[6]-4:S[6]-3:C-3:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C)	C[6](B[6]C[6a]2S[6])(S[6]B[6]C)(CCH)	S[6](B[6]C[6a]2C[6])(C[6]B[6]C)(CH3)	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C){1|B<4>,1|C<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2S[6])(S[6]B[6]C)(CCH){1|C<4>,7|C<3>}	S[6](B[6]C[6a]2C[6])(C[6]B[6]C)(CH3){1|S<3>,7|C<3>}	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1
874	762	951	0:SP3_SP-NON_SP2	B[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	B[6,6]-4:N[6]-3:N[6]-3:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H)	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2	H(B[6,6]C[6,6]2C[6])	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H){6|C<4>,8|H<1>}	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2{3|H<1>,8|C<4>}	H(B[6,6]C[6,6]2C[6])	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1
874	790	790	0:SP3_SP-NON_SP-NON	B[6]	Cl	Cl	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:Cl-1:Cl-1:	B[6]-4:	B[6]-4:	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2	Cl(B[6]C[6,6a]N[5,6]Cl)	Cl(B[6]C[6,6a]N[5,6]Cl)	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	Cl(B[6]C[6,6a]N[5,6]Cl)	Cl(B[6]C[6,6a]N[5,6]Cl)	109.8150	0.000	1	109.8150	0.000	1	109.8150	0.000	1	108.9780	4.733	4	108.9780	4.733	4	108.9780	4.733	4
874	790	790	0:SP3_SP-NON_SP-NON	B[6]	Cl	Cl	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:Cl-1:Cl-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2	Cl(B[6]N[5a,6]2Cl)	Cl(B[6]N[5a,6]2Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2{1|N<2>,6|C<3>}	Cl(B[6]N[5a,6]2Cl)	Cl(B[6]N[5a,6]2Cl)	111.3280	0.000	1	111.3280	0.000	1	111.3280	0.000	1	108.9780	4.733	4	108.9780	4.733	4	108.9780	4.733	4
874	790	790	0:SP3_SP-NON_SP-NON	B[6]	Cl	Cl	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])2(Cl)2	Cl(B[6]N[6]2Cl)	Cl(B[6]N[6]2Cl)	B[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	Cl(B[6]N[6]2Cl)	Cl(B[6]N[6]2Cl)	107.3845	1.702	2	107.3845	2.897	2	107.3845	2.897	2	108.9780	4.733	4	108.9780	4.733	4	108.9780	4.733	4
874	790	813	0:SP3_SP-NON_SP2	B[3x6]	Cl	N[5a,6,6]	3:3:3:1:	4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:	B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl)	Cl(B[3x6]N[5a,6,6]3)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl){3|N<2>,6|C<3>}	Cl(B[3x6]N[5a,6,6]3)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	113.3252	0.711	36	113.3252	0.505	36	113.3252	0.505	36	113.3252	0.505	36	113.3547	0.501	38	113.0022	1.958	42
874	790	813	0:SP3_SP-NON_SP2	B[3x6]	Cl	N[5a,6,6]	3:3:3:1:	4:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5,6,6]-3:Cl-1:	B[3x6]-4:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl)	Cl(B[3x6]N[5a,6,6]2N[5,6,6])	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl){2|C<4>,3|N<2>,4|C<3>}	Cl(B[3x6]N[5a,6,6]2N[5,6,6])	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2{6|C<3>}	113.8855	0.517	2	113.8855	0.267	2	113.8855	0.267	2	113.8855	0.267	2	113.3547	0.501	38	113.0022	1.958	42
874	790	813	0:SP3_SP-NON_SP2	B[6]	Cl	N[5a,6]	3:3:1:1:	4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:Cl-1:Cl-1:	B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2	Cl(B[6]N[5a,6]2Cl)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2)	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2{1|N<2>,6|C<3>}	Cl(B[6]N[5a,6]2Cl)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2){6|C<3>}	109.6532	2.012	4	109.6532	4.047	4	109.6532	4.047	4	109.6532	4.047	4	109.6532	4.047	4	113.0022	1.958	42
874	790	856	0:SP3_SP-NON_SP2	B[6]	Cl	N[6]	3:3:1:1:	4:	4:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	B[6]-4:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])2(Cl)2	Cl(B[6]N[6]2Cl)	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	Cl(B[6]N[6]2Cl)	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>}	109.5773	2.260	4	109.7792	3.179	6	109.7792	3.179	6	109.7792	3.179	6	109.2871	4.343	7	109.2871	4.343	7
874	790	856	0:SP3_SP-NON_SP2	B[6]	Cl	N[6]	3:3:1:1:	4:	4:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	B[6]-4:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])2(Cl)2	Cl(B[6]N[6]2Cl)	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	Cl(B[6]N[6]2Cl)	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>}	110.1830	0.273	2	109.7792	3.179	6	109.7792	3.179	6	109.7792	3.179	6	109.2871	4.343	7	109.2871	4.343	7
874	790	856	0:SP3_SP-NON_SP2	B[6]	Cl	N[6]	3:3:3:1:	4:	4:3:3:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	B[6]-4:	B[6]-4:C[6]-3:C[6]-3:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[6]C[6]2)(Cl)	Cl(B[6]C[6]2N[6])	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2	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>}	Cl(B[6]C[6]2N[6])	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2{1|Si<4>,3|C<3>,3|H<1>}	106.3350	0.000	1	106.3350	0.000	1	106.3350	0.000	1	106.3350	0.000	1	109.2871	4.343	7	109.2871	4.343	7
874	790	874	0:SP3_SP-NON_SP3	B[6,6]	Cl	B[6,6]	4:4:4:1:	4:	4:4:4:1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	B[6,6]-4:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	Cl(B[6,6]B[6,6]C[3x6]N)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	Cl(B[6,6]B[6,6]C[3x6]N)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	115.2465	1.105	2	115.2465	1.221	2	115.2465	1.221	2	115.2465	1.221	2	115.2465	1.221	2	115.2465	1.221	2
874	790	892	0:SP3_SP-NON_SP3	B[6,6]	Cl	N	4:4:4:1:	4:	4:4:4:1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	B[6,6]-4:	B[6,6]-4:C-4:C-4:H-1:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	Cl(B[6,6]B[6,6]C[3x6]N)	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	Cl(B[6,6]B[6,6]C[3x6]N)	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	104.6625	0.439	2	104.6625	0.193	2	104.6625	0.193	2	104.6625	0.193	2	104.6625	0.193	2	104.6625	0.193	2
874	813	813	0:SP3_SP2_SP2	B[6]	N[5a]	N[5a]	3:3:3:3:	4:3:2:	4:3:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:	B[6]-4:C[5a]-3:N[5a]-2:	B[6]-4:C[5a]-3:N[5a]-2:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2{1|B<4>,4|H<1>,8|C<3>}	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	113.1285	0.023	2	113.1285	0.001	2	113.1285	0.001	2	113.1285	0.001	2	113.1285	0.001	2	113.1285	0.001	2
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:2:2:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	105.8190	0.937	4	105.8190	0.878	4	105.8190	0.878	4	105.8190	0.878	4	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:1:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(Br)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br)	B[3x6](N[5a,6,6]C[5a,6]2)3(Br){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br){6|C<3>}	105.7307	0.706	7	105.7307	0.499	7	105.7307	0.499	7	105.3226	0.256	52	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:1:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	B[3x6](N[5a,6,6]C[5a,6]2)3(Cl){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	105.3063	0.445	36	105.3063	0.198	36	105.3063	0.198	36	105.3226	0.256	52	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:1:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(F)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F)	B[3x6](N[5a,6,6]C[5a,6]2)3(F){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F){6|C<3>}	105.0700	0.415	9	105.0700	0.172	9	105.0700	0.172	9	105.3226	0.256	52	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5,6,6]-3:Cl-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl)	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl){2|C<4>,3|N<2>,4|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2{6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2{6|C<3>}	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	105.2533	0.792	16	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(F)	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(F){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	106.1972	0.330	6	106.1972	0.109	6	106.1972	0.109	6	105.2533	0.792	16	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(H)	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(H){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	104.5534	0.385	9	104.5534	0.148	9	104.5534	0.148	9	105.2533	0.792	16	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(CC)	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C)	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C)	B[3x6](N[5a,6,6]C[5a,6]2)3(CC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C){2|C<2>,4|C<3>}	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C){2|C<2>,4|C<3>}	103.1725	0.159	6	103.1725	0.025	6	103.1322	0.069	18	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(CC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C)	B[3x6](N[5a,6,6]C[5a,6]2)3(CC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C){6|C<3>}	103.1120	0.306	12	103.1120	0.094	12	103.1322	0.069	18	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6]){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	102.4474	0.456	15	102.4474	0.208	15	104.0621	1.128	199	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	104.3484	1.219	12	104.3484	1.487	12	104.0621	1.128	199	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){2|N<2>,4|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	104.1800	0.000	1	104.0241	0.507	136	104.0621	1.128	199	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	104.0229	0.715	135	104.0241	0.507	136	104.0621	1.128	199	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	102.2650	0.150	3	102.2650	0.023	3	104.0621	1.128	199	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OS)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OS){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	105.6250	0.508	24	105.6250	0.259	24	104.0621	1.128	199	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi)	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O)	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi){9|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O){8|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O){8|C<3>}	105.2300	0.452	3	105.2300	0.204	3	104.0621	1.128	199	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	102.4507	0.415	6	102.4507	0.172	6	104.0621	1.128	199	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	3:3:4:	3:3:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:S-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(SC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S)	B[3x6](N[5a,6,6]C[5a,6]2)3(SC[6a]){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S){6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S){6|C<3>}	104.3833	0.369	3	104.3833	0.136	3	104.3833	0.136	3	103.9904	1.093	220	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|C<4>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|C<4>,6|C<3>}	105.3797	0.251	3	105.2407	1.306	30	104.7406	1.935	39	104.7406	1.935	39	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	105.2252	1.204	27	105.2407	1.306	30	104.7406	1.935	39	104.7406	1.935	39	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{6|C<3>}	103.7587	0.112	3	103.7587	0.013	3	104.7406	1.935	39	104.7406	1.935	39	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{1|C<4>,5|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{2|C<4>,4|C<3>}	102.7430	0.561	2	102.7315	0.206	6	104.7406	1.935	39	104.7406	1.935	39	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{2|C<4>,4|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{2|C<4>,4|C<3>}	102.7258	0.488	4	102.7315	0.206	6	104.7406	1.935	39	104.7406	1.935	39	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC)	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	105.9767	0.924	3	105.9767	0.854	3	105.9767	0.854	3	104.6974	0.882	12	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(C[6a]C[6a]2){11|C<3>,2|H<1>}	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	103.8830	0.463	3	103.8830	0.214	3	103.8830	0.214	3	104.6974	0.882	12	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(N[5]C[5]2)	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(N[5]C[5]2){2|O<1>,3|N<2>,8|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	104.4650	0.262	6	104.4650	0.069	6	104.4650	0.069	6	104.6974	0.882	12	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:4:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[5]-4:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(C[5]C[5]2Fe)	N[5a,6,6](B[3x6]N[5a,6,6]2C[5])(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](B[3x6]N[5a,6,6]2C[5])(C[5a,6]C[5a,6a]N[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(C[5]C[5]2Fe){2|C<4>,2|H<1>,3|N<2>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C[5])(C[5a,6]C[5a,6a]N[6])2{1|Fe<10>,2|C<4>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C[5])(C[5a,6]C[5a,6a]N[6])2{1|Fe<10>,2|C<4>,6|C<3>}	102.6710	0.249	6	102.6710	0.062	6	102.6710	0.062	6	102.6710	0.062	6	104.3532	1.363	349	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6,6]	N[5a,6,6]	N[5a,6]	3:3:2:1:	3:4:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6])	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6]){1|H<1>,1|S<2>,4|C<3>}	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2){1|H<1>,1|S<2>,5|C<3>}	104.0600	0.000	1	104.0600	0.000	1	104.0600	0.000	1	104.0600	0.000	1	104.5650	0.119	4	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6,6]	N[5a,6,6]	N[5a,6]	3:3:2:3:	3:4:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C[6]-3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6])	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]2){1|C<4>,2|H<1>,9|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	104.7060	0.000	1	104.7060	0.000	1	104.7060	0.000	1	104.7060	0.000	1	104.5650	0.119	4	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6,6]	N[5a,6,6]	N[5a,6]	3:3:2:4:	3:3:4:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	C[5a,6]-3:C[5a,6]-3:B[6,6]-4:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C)	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C){1|H<1>,6|C<3>}	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	104.6620	0.000	1	104.6620	0.000	1	104.6620	0.000	1	104.6620	0.000	1	104.5650	0.119	4	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6,6]	N[5a,6,6]	N[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:	B[6,6]-4:C[5a,6]-3:C[5a,6]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,2|H<1>,9|C<3>}	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	104.8320	0.000	1	104.8320	0.000	1	104.8320	0.000	1	104.8320	0.000	1	104.5650	0.119	4	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:Cl-1:Cl-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2)	B[6](N[5a,6]C[5a,6]C[5a])2(Cl)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2){6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2){6|C<3>}	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	104.5820	0.000	1	104.5820	0.000	1	105.3421	0.673	12	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	105.1993	0.398	7	105.5368	0.686	9	105.3421	0.673	12	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,1|S<2>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,1|S<2>,5|C<3>}	107.4080	0.000	1	105.5368	0.686	9	105.3421	0.673	12	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|O<2>,3|C<3>,3|H<1>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|O<2>,3|C<3>,3|H<1>}	106.0280	0.000	1	105.5368	0.686	9	105.3421	0.673	12	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|O<2>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	104.3450	0.000	1	104.3450	0.000	1	105.3421	0.673	12	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|S<2>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	105.3470	0.000	1	105.3470	0.000	1	105.3421	0.673	12	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF){5|C<3>}	107.0477	0.352	3	107.0477	0.124	3	107.0477	0.124	3	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]2)2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]2)2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,6|C<3>}	108.8095	0.578	2	108.8095	0.334	2	108.9953	0.270	3	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]2)2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]2)2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	109.3670	0.000	1	109.3670	0.000	1	108.9953	0.270	3	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF){2|C<4>,5|C<3>}	107.6445	0.776	4	107.6445	0.602	4	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.0303	0.566	6	107.7628	0.471	9	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	107.2277	0.662	3	107.7628	0.471	9	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|S<2>,5|C<3>}	106.1100	0.000	1	106.1100	0.000	1	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){2|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){2|N<2>,4|C<3>}	107.0760	0.000	1	106.7020	0.280	2	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	106.3280	0.000	1	106.7020	0.280	2	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF){2|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF){2|H<1>,3|C<3>,3|C<4>}	108.9480	0.000	2	108.9480	0.000	2	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF){1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF){1|N<2>,2|H<1>,4|C<3>}	108.6090	0.000	1	108.6090	0.000	1	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,1|H<1>,5|C<3>}	106.3630	0.000	1	107.1220	0.136	9	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	107.4290	0.156	2	107.1220	0.136	9	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Cl<1>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Cl<1>,1|H<1>,5|C<3>}	107.2562	0.202	4	107.1220	0.136	9	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	106.9260	0.154	2	107.1220	0.136	9	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	107.8335	1.216	2	107.8335	1.477	2	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	106.0360	0.000	1	106.0360	0.000	1	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	104.8020	0.000	1	104.8020	0.000	1	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	106.2777	0.598	6	106.2264	0.795	9	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	106.8180	1.280	2	106.2264	0.795	9	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	104.7360	0.000	1	106.2264	0.795	9	107.1489	1.115	41	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	106.7143	0.374	3	106.7143	0.140	3	106.7143	0.140	3	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	107.4110	0.000	1	107.4110	0.000	1	108.0985	1.254	8	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	107.9640	0.000	1	107.9640	0.000	1	108.0985	1.254	8	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	109.9130	0.000	1	109.9130	0.000	1	108.0985	1.254	8	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.6540	0.000	1	108.6540	0.000	1	108.0985	1.254	8	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF){6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF){6|C<3>}	107.7790	0.000	1	107.7790	0.000	1	108.0985	1.254	8	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	107.6890	1.429	3	107.6890	2.041	3	108.0985	1.254	8	107.0014	1.680	71	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	106.6780	0.000	1	106.6780	0.000	1	106.3275	0.246	2	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|S<2>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	105.9770	0.000	1	105.9770	0.000	1	106.3275	0.246	2	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	108.3370	0.331	2	108.3370	0.110	2	108.3370	0.110	2	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	107.2720	0.430	2	107.2720	0.185	2	107.7562	0.745	15	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	108.3270	0.197	2	108.3364	0.203	8	107.7562	0.745	15	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	108.1457	0.470	4	108.3364	0.203	8	107.7562	0.745	15	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	108.3580	0.000	1	108.3364	0.203	8	107.7562	0.745	15	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	109.0960	0.000	1	108.3364	0.203	8	107.7562	0.745	15	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	108.1750	0.000	1	108.1750	0.000	1	107.7562	0.745	15	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	106.2875	0.463	2	106.2875	0.215	2	107.7562	0.745	15	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.5610	0.000	1	107.5610	0.000	1	107.7562	0.745	15	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	106.7970	0.000	1	106.7970	0.000	1	107.7562	0.745	15	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.5370	0.000	1	107.5370	0.000	1	106.8740	0.383	4	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	106.6200	0.000	1	106.6200	0.000	1	106.8740	0.383	4	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.1990	0.000	1	106.6695	0.561	2	106.8740	0.383	4	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	106.1400	0.000	1	106.6695	0.561	2	106.8740	0.383	4	107.5328	0.810	24	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<3>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	106.5330	0.000	1	106.5330	0.000	1	105.9897	0.324	3	105.9897	0.324	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	106.0390	0.000	1	105.7180	0.206	2	105.9897	0.324	3	105.9897	0.324	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){5|C<3>}	105.3970	0.000	1	105.7180	0.206	2	105.9897	0.324	3	105.9897	0.324	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	106.5930	0.000	1	106.5930	0.000	1	106.5930	0.000	1	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	106.7260	0.000	1	106.7260	0.000	1	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I)	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|I<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I){2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I){2|C<4>,3|C<3>}	106.3860	0.638	2	106.3860	0.407	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	108.4280	0.000	1	109.1301	1.032	8	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.2050	0.983	4	109.1301	1.032	8	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	109.6760	0.000	1	109.1301	1.032	8	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	107.7350	0.000	1	109.1301	1.032	8	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	110.3820	0.000	1	109.1301	1.032	8	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|Br<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	105.4920	0.000	1	105.4920	0.000	1	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	108.3580	0.000	1	108.6710	0.261	3	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.2600	0.000	1	108.6710	0.261	3	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	108.3950	0.000	1	108.6710	0.261	3	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.2428	0.690	5	107.2428	0.476	5	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	105.1435	0.414	4	105.4082	0.160	11	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	105.7210	0.000	1	105.4082	0.160	11	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	105.0680	0.000	1	105.4082	0.160	11	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,2|Cl<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,2|Cl<1>,2|C<3>}	105.1980	0.000	1	105.4082	0.160	11	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|O<2>,2|C<3>,2|H<1>}	105.4700	0.000	1	105.4082	0.160	11	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	105.7835	0.159	2	105.4082	0.160	11	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	105.8920	0.000	1	105.4082	0.160	11	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	106.1580	0.000	1	106.6505	0.485	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	107.1430	0.000	1	106.6505	0.485	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|Br<1>,3|C<3>}	105.2150	0.000	1	105.8500	0.806	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	106.4850	0.000	1	105.8500	0.806	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|O<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	105.7180	0.000	1	105.7180	0.000	1	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<2>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	106.3970	0.460	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.3870	0.444	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	107.1870	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	107.9410	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	106.5620	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	106.2770	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|I<1>,3|C<3>}	106.9090	1.390	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	105.3530	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Cl<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Cl<1>,1|H<1>,3|C<3>}	105.0620	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	105.7125	0.158	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	104.5670	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	106.6610	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	106.5600	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	106.8080	0.000	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	106.6080	0.678	5	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	106.6315	0.114	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	106.4050	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	106.9462	0.473	99	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	107.0290	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	106.9370	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	106.9528	0.461	8	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.4460	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	107.0235	0.386	6	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	106.8290	0.106	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|S<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|S<2>,3|C<3>}	107.6320	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	107.3305	0.166	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	106.8540	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	106.7589	0.222	10	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|S<2>,2|C<3>,2|H<1>}	106.6450	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	107.2525	0.320	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|N<3>,2|C<3>,2|C<4>}	106.4040	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	107.8130	0.919	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	106.8070	0.290	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|I<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|I<1>,2|C<3>,2|C<4>}	106.3220	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Pt<4>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Pt<4>,2|C<3>,2|C<4>}	106.3620	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	109.3050	0.068	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.1241	0.373	24	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	106.8829	0.471	16	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	106.6940	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,4|C<3>}	106.0940	0.000	1	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.2604	0.344	5	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,4|C<3>}	106.8835	0.069	2	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	106.3455	0.479	4	106.9196	0.337	224	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<3>,3|H<1>}	106.3770	0.000	1	106.3770	0.000	1	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	106.5060	0.000	1	106.5136	0.177	14	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|H<1>}	106.3500	0.000	1	106.5136	0.177	14	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	106.5290	0.000	1	106.5136	0.177	14	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	106.5840	0.000	1	106.5136	0.177	14	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	106.8760	0.000	1	106.5136	0.177	14	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	106.4829	0.516	9	106.5136	0.177	14	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	104.9320	0.000	1	105.4575	0.552	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	105.9830	0.000	1	105.4575	0.552	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	105.0370	0.000	1	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,2|Cl<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,2|Cl<1>,2|C<3>}	104.6830	0.000	1	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	105.2220	0.000	1	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<4>,2|C<3>,2|H<1>}	105.2600	0.205	2	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	105.5950	0.564	2	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	104.4500	0.000	1	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,4|C<3>}	105.4470	0.000	1	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<4>,3|C<3>}	105.7320	0.165	2	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	105.3850	0.208	2	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	105.2655	0.202	4	105.2850	0.145	17	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|Cl<1>,1|H<1>,2|C<3>}	105.3610	0.000	1	105.3610	0.000	1	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	105.4603	0.484	3	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	105.1910	0.000	1	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	106.1073	0.453	14	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	105.7170	0.000	1	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	106.0654	0.375	11	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>}	105.9937	0.001	3	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	105.6213	0.385	4	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	105.7014	0.337	9	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	106.5229	0.383	15	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	106.2358	0.645	10	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Pt<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Pt<4>,2|C<3>,2|H<1>}	106.4361	0.919	10	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	105.3860	0.000	1	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Si<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	105.9210	0.000	1	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	106.5010	0.000	1	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	106.0169	0.457	72	106.0697	0.282	156	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|I<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	105.9608	0.893	4	106.4476	1.356	7	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	107.0967	1.328	3	106.4476	1.356	7	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|O<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	105.7800	0.167	3	105.7800	0.028	3	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	106.1910	0.000	1	106.1730	0.001	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|H<1>,3|C<3>}	106.1550	0.000	1	106.1730	0.001	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|O<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	107.6600	0.000	1	107.6600	0.000	1	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Pd<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	107.0100	0.000	1	107.0100	0.000	1	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Pd<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,1|H<1>,3|C<3>}	108.6410	0.000	1	108.6410	0.000	1	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|Br<1>,1|S<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|Br<1>,1|S<2>,3|C<3>}	106.0320	0.000	1	106.1510	0.123	3	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	106.5460	0.000	1	106.1510	0.123	3	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|Br<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|Br<1>,3|C<3>}	105.8750	0.000	1	106.1510	0.123	3	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	106.5785	0.148	2	106.5785	0.022	2	106.5409	0.719	471	106.5410	0.718	472	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:C-2:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF)	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F){1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF){1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF){1|N<3>,5|C<3>}	105.5430	0.000	1	105.5430	0.000	1	105.5430	0.000	1	105.5430	0.000	1	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	107.8080	0.055	2	107.8080	0.003	2	108.1297	0.312	3	108.1297	0.312	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	108.7730	0.000	1	108.7730	0.000	1	108.1297	0.312	3	108.1297	0.312	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:2:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC){1|H<1>,6|C<3>}	106.6160	0.000	1	106.6160	0.000	1	105.5275	2.370	2	105.5275	2.370	2	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:2:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	104.4390	0.000	1	104.4390	0.000	1	105.5275	2.370	2	105.5275	2.370	2	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:2:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	106.2450	0.000	1	106.1490	0.018	2	106.1490	0.018	2	104.7271	1.327	16	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:2:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<3>,3|C<4>}	106.0530	0.000	1	106.1490	0.018	2	106.1490	0.018	2	104.7271	1.327	16	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:2:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	107.3770	0.000	1	107.3770	0.000	1	104.5240	1.174	14	104.7271	1.327	16	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:2:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	105.0500	0.000	1	104.1313	0.165	12	104.5240	1.174	14	104.7271	1.327	16	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:2:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	104.0478	0.299	11	104.1313	0.165	12	104.5240	1.174	14	104.7271	1.327	16	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:2:2:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|C<4>,3|C<3>}	106.3830	0.000	1	106.3830	0.000	1	104.5240	1.174	14	104.7271	1.327	16	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	106.8980	0.000	1	105.7132	3.085	4	105.4474	2.667	5	105.9008	3.367	6	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	106.4245	0.202	2	105.7132	3.085	4	105.4474	2.667	5	105.9008	3.367	6	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	103.1060	0.000	1	105.7132	3.085	4	105.4474	2.667	5	105.9008	3.367	6	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){4|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	104.3840	0.000	1	104.3840	0.000	1	105.4474	2.667	5	105.9008	3.367	6	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:N[6]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H)	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	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>}	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,4|C<3>}	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,4|C<3>}	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	105.9008	3.367	6	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){1|N<3>,2|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|H<1>,5|C<3>}	108.9255	1.381	2	108.9255	1.907	2	108.9255	1.907	2	107.0733	11.245	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:O-2:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC)	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC){4|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	103.3690	0.000	1	103.3690	0.000	1	103.3690	0.000	1	107.0733	11.245	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:C-3:C-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	103.4005	0.390	2	103.4005	0.152	2	103.4005	0.152	2	103.3460	0.085	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2){10|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2){10|C<3>}	103.2370	0.000	1	103.2370	0.000	1	103.2370	0.000	1	103.3460	0.085	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[5a]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(C[5a]C[5a]2)2{2|S<2>,5|H<1>,8|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){2|H<1>,9|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,7|C<3>}	104.1150	0.000	1	104.1150	0.000	1	104.1150	0.000	1	104.7360	0.204	8	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	105.4750	0.000	1	104.9083	0.138	6	104.8247	0.164	7	104.7360	0.204	8	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	104.5190	0.000	1	104.9083	0.138	6	104.8247	0.164	7	104.7360	0.204	8	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	104.9703	0.194	3	104.9083	0.138	6	104.8247	0.164	7	104.7360	0.204	8	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{2|C<4>,4|H<1>,9|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	104.5450	0.000	1	104.9083	0.138	6	104.8247	0.164	7	104.7360	0.204	8	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)2{1|C<4>,1|N<3>,4|H<1>,9|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,2|C<4>,6|C<3>}	104.3230	0.000	1	104.3230	0.000	1	104.8247	0.164	7	104.7360	0.204	8	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:4:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	107.1580	0.000	1	107.1580	0.000	1	105.8215	3.572	2	105.8215	3.572	2	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:4:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F){2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	104.4850	0.000	1	104.4850	0.000	1	105.8215	3.572	2	105.8215	3.572	2	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	105.0600	0.127	2	105.0600	0.016	2	104.3470	1.533	3	104.3470	1.533	3	106.5301	1.175	617	105.7387	2.332	970
874	813	813	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	102.9210	0.000	1	102.9210	0.000	1	104.3470	1.533	3	104.3470	1.533	3	106.5301	1.175	617	105.7387	2.332	970
874	813	818	6:SP3_SP2_SP2	B[6]	N[5a,6]	C[5,6]	3:3:4:4:	3:4:3:	3:4:3:	N[5a,6]-3:C[5,6]-3:C-4:C-4:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	N[5,6]-3:B[6]-4:N[5]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H)	C[5,6](N[5,6]C[6,6a]C[5])(B[6]N[5a,6]CC)(N[5]C[5]C)	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H){2|N<2>,2|N<3>}	C[5,6](N[5,6]C[6,6a]C[5])(B[6]N[5a,6]CC)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	102.7330	0.000	1	102.7330	0.000	1	102.7330	0.000	1	102.7330	0.000	1	102.7330	0.000	1	102.7330	0.000	1
874	813	830	0:SP3_SP-NON_SP2	B[3x6]	N[5a,6,6]	F	3:3:3:1:	3:3:4:	4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(F)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F)	F(B[3x6]N[5a,6,6]3)	B[3x6](N[5a,6,6]C[5a,6]2)3(F){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F){6|C<3>}	F(B[3x6]N[5a,6,6]3)	113.5713	0.470	11	113.5713	0.221	11	113.5713	0.221	11	113.5713	0.221	11	113.2194	0.387	17	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[3x6]	N[5a,6,6]	F	3:3:3:1:	4:3:3:	4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(F)	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2	F(B[3x6]N[5a,6,6]3)	B[3x6](N[5a,6,6]C[5a,6]2)3(F){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	F(B[3x6]N[5a,6,6]3)	112.5743	0.159	6	112.5743	0.025	6	112.5743	0.025	6	112.5743	0.025	6	113.2194	0.387	17	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6,6]	N[5a,6,6]	F	3:3:2:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	B[6,6]-4:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6])	F(B[6,6]N[5a,6,6]N[5a,6]O[6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6]){1|H<1>,1|S<2>,4|C<3>}	F(B[6,6]N[5a,6,6]N[5a,6]O[6])	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6,6]	N[5a,6]	F	3:3:2:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:F-1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6]-4:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F)	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2)	F(B[6,6]N[5a,6,6]N[5a,6]O[6])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[5a,6])(F){1|N<2>,7|C<3>}	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2){1|H<1>,1|S<2>,5|C<3>}	F(B[6,6]N[5a,6,6]N[5a,6]O[6])	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:2:1:1:	3:3:4:	4:	N[5a,6]-3:O[6]-2:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF)	F(B[6]N[5a,6]O[6]F)	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2{1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF){2|C<3>,2|C<4>}	F(B[6]N[5a,6]O[6]F)	110.1140	1.461	2	110.1140	2.134	2	110.1140	2.134	2	110.1140	2.134	2	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2{1|O<2>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]N[5,6]F)	113.2915	0.541	2	113.2915	0.293	2	113.2915	0.293	2	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2{1|C<4>,1|N<2>,1|S<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[5,6]F)	111.5597	0.704	4	111.5597	0.496	4	111.4147	0.340	8	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|S<2>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF){1|C<2>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[5,6]F)	111.3255	0.842	2	111.3255	0.709	2	111.4147	0.340	8	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|N<2>,1|S<2>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[5,6]F)	111.2140	0.025	2	111.2140	0.001	2	111.4147	0.340	8	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5,5a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	109.9150	0.856	2	109.9150	0.732	2	109.9150	0.732	2	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.9945	1.141	2	109.9945	1.301	2	110.4549	0.433	52	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|S<2>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	110.0465	0.152	2	110.0465	0.023	2	110.4549	0.433	52	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	F(B[6]N[5a,6]2F)	110.5605	1.023	4	110.5605	1.046	4	110.4549	0.433	52	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.5674	0.519	28	110.4510	0.314	36	110.4549	0.433	52	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,1|S<2>,5|C<3>}	F(B[6]N[5a,6]2F)	109.6103	0.127	4	110.4510	0.314	36	110.4549	0.433	52	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|O<2>,3|C<3>,3|H<1>}	F(B[6]N[5a,6]2F)	110.4768	0.391	4	110.4510	0.314	36	110.4549	0.433	52	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|O<2>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	110.5590	1.079	4	110.5590	1.164	4	110.4549	0.433	52	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|S<2>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	110.7147	0.818	4	110.7147	0.670	4	110.4549	0.433	52	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	111.5217	0.791	6	111.5217	0.626	6	111.5217	0.626	6	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]2)2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]2)2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	109.1720	1.279	8	109.1720	1.636	8	108.9293	1.351	16	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]2)2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]2)2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.2890	1.242	4	109.2890	1.542	4	108.9293	1.351	16	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,3|C<3>,3|H<1>}	F(B[6]N[5a,6]2F)	108.0842	0.341	4	108.0842	0.116	4	108.9293	1.351	16	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF){5|C<3>}	F(B[6]N[5a,6]2F)	109.3185	0.756	6	109.3185	0.571	6	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.5850	0.719	4	110.5850	0.517	4	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF){2|C<4>,5|C<3>}	F(B[6]N[5a,6]2F)	109.7629	1.680	14	109.7629	2.821	14	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	F(B[6]N[5a,6]2F)	109.0530	1.031	4	109.2624	0.971	18	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	F(B[6]N[5a,6]2F)	109.3067	0.965	10	109.2624	0.971	18	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	109.2665	0.016	2	109.2624	0.971	18	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	F(B[6]N[5a,6]2F)	109.4555	2.159	2	109.2624	0.971	18	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	109.2812	1.995	24	109.4247	3.617	36	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	F(B[6]N[5a,6]2F)	109.7115	1.748	12	109.4247	3.617	36	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	109.4480	0.106	2	108.8725	0.747	4	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){5|C<3>}	F(B[6]N[5a,6]2F)	108.2970	0.952	2	108.8725	0.747	4	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<3>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	107.9020	0.611	2	107.9020	0.373	2	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|S<2>,5|C<3>}	F(B[6]N[5a,6]2F)	109.7858	1.304	4	109.7858	1.702	4	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){2|N<2>,4|C<3>}	F(B[6]N[5a,6]2F)	109.5510	1.331	2	109.7830	2.689	8	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	F(B[6]N[5a,6]2F)	109.8603	1.839	6	109.7830	2.689	8	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF){2|H<1>,3|C<3>,3|C<4>}	F(B[6]N[5a,6]2F)	109.2810	1.446	8	109.2810	2.090	8	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF){1|N<2>,2|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	109.1942	0.353	4	109.1942	0.125	4	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	110.7345	1.118	4	109.8162	2.060	40	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.6555	1.038	4	109.8162	2.060	40	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.8874	1.305	8	109.8162	2.060	40	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Cl<1>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.6151	1.064	16	109.8162	2.060	40	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.7686	2.399	8	109.8162	2.060	40	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.5592	1.405	8	109.5592	1.973	8	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1330	0.281	2	110.1330	0.079	2	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	F(B[6]N[5a,6]2F)	109.6410	0.559	2	109.6410	0.312	2	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.9125	2.592	2	109.9125	6.716	2	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	F(B[6]N[5a,6]2F)	110.2110	1.881	2	109.9503	2.462	36	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.9690	1.677	28	109.9503	2.462	36	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	F(B[6]N[5a,6]2F)	109.7762	1.129	6	109.9503	2.462	36	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.6568	1.195	6	109.6568	1.429	6	109.6339	2.191	204	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	110.5345	0.612	2	110.5345	0.374	2	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	110.6010	0.059	2	110.7523	0.776	12	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	111.1290	0.011	2	110.7523	0.776	12	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	112.0025	0.968	2	110.7523	0.776	12	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	110.2603	0.733	6	110.7523	0.776	12	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	F(B[6]N[5a,6]2F)	110.5800	0.088	2	110.1840	0.103	6	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	109.9860	0.109	4	110.1840	0.103	6	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	F(B[6]N[5a,6]2F)	110.7490	0.396	2	110.7490	0.157	2	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	109.0305	1.043	6	109.0305	1.088	6	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF){6|C<3>}	F(B[6]N[5a,6]2F)	109.5315	0.517	4	109.5315	0.267	4	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	109.6828	1.081	12	109.6739	1.139	14	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	109.6205	1.394	2	109.6739	1.139	14	110.0096	1.052	46	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,6|C<3>}	F(B[6]N[5a,6]N[6,6]F)	111.2630	0.359	2	111.2630	0.129	2	111.2630	0.129	2	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6,6a]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){7|C<3>}	F(B[6]N[5a,6]N[6,6]F)	112.2910	0.877	2	112.2910	0.769	2	112.2910	0.769	2	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){1|N<3>,3|C<3>,3|H<1>}	F(B[6]N[5a,6]N[6,6]F)	111.6095	1.370	2	111.6095	1.876	2	111.6095	1.876	2	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	111.7420	0.152	4	111.7420	0.023	4	111.8041	0.882	12	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	110.6030	0.642	2	111.3975	1.087	4	111.8041	0.882	12	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	112.1920	0.569	2	111.3975	1.087	4	111.8041	0.882	12	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	112.2728	1.266	4	112.2728	1.604	4	111.8041	0.882	12	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF)	F(B[6]N[5a,6]N[6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	F(B[6]N[5a,6]N[6]F)	112.0070	0.247	2	112.0070	0.061	2	112.3618	0.276	4	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF)	F(B[6]N[5a,6]N[6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF){1|C<3>,1|N<2>,3|H<1>}	F(B[6]N[5a,6]N[6]F)	112.7165	0.514	2	112.7165	0.264	2	112.3618	0.276	4	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	F(B[6]N[5a,6]N[6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	F(B[6]N[5a,6]N[6]F)	110.5244	0.708	14	110.6791	0.458	20	110.6791	0.458	20	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	F(B[6]N[5a,6]N[6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,2|N<3>,4|C<3>}	F(B[6]N[5a,6]N[6]F)	111.0398	0.461	6	110.6791	0.458	20	110.6791	0.458	20	110.0374	2.016	378	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]N[5,6]F)	109.5330	0.457	2	109.8353	0.199	4	111.0727	1.878	16	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	F(B[6]N[5a,6]N[5,6]F)	110.1375	0.146	2	109.8353	0.199	4	111.0727	1.878	16	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]N[5,6]F)	111.2450	0.980	2	111.2450	0.960	2	111.0727	1.878	16	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|N<4>,1|O<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	F(B[6]N[5a,6]N[5,6]F)	109.6075	2.833	2	109.6075	8.028	2	111.0727	1.878	16	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	F(B[6]N[5a,6]N[5,6]F)	112.0895	0.285	4	112.0147	0.143	8	111.0727	1.878	16	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	F(B[6]N[5a,6]N[5,6]F)	111.6850	0.663	2	112.0147	0.143	8	111.0727	1.878	16	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|O<2>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	F(B[6]N[5a,6]N[5,6]F)	112.1950	0.116	2	112.0147	0.143	8	111.0727	1.878	16	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	F(B[6]N[5a,6]2F)	110.8555	1.076	2	110.8555	1.157	2	110.8555	1.157	2	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	109.7635	0.117	2	109.7635	0.014	2	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	111.3315	2.402	2	110.9688	3.593	4	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.6060	2.117	2	110.9688	3.593	4	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.2310	0.908	2	110.2310	0.824	2	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	F(B[6]N[5a,6]2F)	111.1435	0.671	4	111.1435	0.450	4	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	109.6380	0.222	2	109.6380	0.049	2	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|I<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I){2|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	109.9472	0.988	8	109.9472	0.977	8	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|Br<1>,1|N<3>,4|C<3>}	F(B[6]N[5a,6]2F)	110.0490	2.165	2	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	109.7935	0.091	2	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	109.3535	0.094	2	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	109.8686	0.790	10	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<3>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	112.2620	1.373	2	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	F(B[6]N[5a,6]2F)	109.8757	0.981	4	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	109.1514	1.952	16	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	108.5660	0.465	2	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	110.1530	0.380	4	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	109.6450	0.484	4	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0643	0.454	4	109.6944	1.902	52	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.5585	1.170	2	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	109.9795	0.293	4	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	F(B[6]N[5a,6]2F)	111.3700	1.147	2	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.7445	0.166	2	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|O<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1795	0.098	2	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2560	2.427	2	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0787	0.564	18	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,2|Cl<1>,2|C<3>}	F(B[6]N[5a,6]2F)	110.0298	0.249	4	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|O<2>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.1478	0.948	4	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	F(B[6]N[5a,6]2F)	109.9081	0.496	8	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0163	0.744	6	110.1412	0.501	54	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	109.7518	0.691	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<2>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	109.5048	0.311	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<2>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	F(B[6]N[5a,6]2F)	110.3585	0.224	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.1003	0.835	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	110.5145	0.882	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1540	0.103	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.3495	1.163	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2140	0.553	10	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.4420	0.983	10	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.3212	0.446	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	F(B[6]N[5a,6]2F)	110.3817	1.098	8	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	F(B[6]N[5a,6]2F)	110.7820	0.950	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1542	0.237	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2097	0.997	6	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.5755	0.110	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	109.9745	0.367	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0175	0.528	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.6235	0.592	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2722	0.632	18	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Pd<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.0805	0.756	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.3713	0.792	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|I<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.5750	0.783	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.1608	0.796	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Cl<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2773	0.839	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2777	0.400	8	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1273	0.327	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2161	0.112	9	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0944	0.535	22	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.1347	0.786	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1915	0.600	404	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1826	0.925	26	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|N<3>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0265	0.373	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|S<2>,3|C<3>}	F(B[6]N[5a,6]2F)	109.8568	0.607	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.1377	0.372	10	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	F(B[6]N[5a,6]2F)	110.1123	0.566	56	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	F(B[6]N[5a,6]2F)	110.3310	0.132	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	109.9334	0.785	22	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|I<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.2048	0.894	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|N<3>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.2985	0.571	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Pt<4>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.3680	0.052	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|S<2>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	109.6285	0.691	2	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	F(B[6]N[5a,6]2F)	109.7487	1.302	14	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1786	0.515	109	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1654	0.545	62	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	110.3120	1.509	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,4|C<3>}	F(B[6]N[5a,6]2F)	110.1278	0.765	4	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.3978	0.777	18	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	110.0009	0.473	8	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1155	0.781	17	110.1750	0.401	933	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.0160	0.717	2	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<3>,3|H<1>}	F(B[6]N[5a,6]2F)	110.4765	0.131	2	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	F(B[6]N[5a,6]2F)	110.0400	0.539	2	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0245	0.487	2	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	F(B[6]N[5a,6]2F)	109.8233	0.154	4	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,2|Cl<1>,2|C<3>}	F(B[6]N[5a,6]2F)	110.0352	0.340	4	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	110.0468	0.879	4	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.0039	0.410	7	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	F(B[6]N[5a,6]2F)	109.9771	0.592	8	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2523	0.392	4	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,4|C<3>}	F(B[6]N[5a,6]2F)	110.0785	0.429	4	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0444	0.422	8	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	F(B[6]N[5a,6]2F)	109.9112	0.619	8	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1234	0.635	16	110.0470	0.261	75	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.8390	0.264	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.6450	0.300	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1085	0.438	4	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|Cl<1>,1|H<1>,2|C<3>}	F(B[6]N[5a,6]2F)	110.1010	0.134	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|I<1>,3|C<3>}	F(B[6]N[5a,6]2F)	111.1852	1.411	8	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	109.6795	1.135	8	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|O<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.5848	0.504	6	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.6905	0.053	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	108.5280	0.424	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.1390	0.382	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	F(B[6]N[5a,6]2F)	110.5215	1.906	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2239	0.752	32	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.2437	0.881	6	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0295	0.808	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.2260	0.764	56	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.5450	0.542	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.3718	0.915	42	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.4094	0.288	12	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2F)	111.3235	0.565	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	F(B[6]N[5a,6]2F)	110.2588	0.870	34	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.4989	0.710	60	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.3732	0.765	40	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Pt<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.4467	0.838	37	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.5255	0.468	4	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Si<4>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.4820	1.161	2	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	F(B[6]N[5a,6]2F)	110.4315	0.428	4	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.3989	0.722	314	110.3768	0.598	689	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|Br<1>,3|C<3>}	F(B[6]N[5a,6]2F)	109.4610	0.857	2	110.3479	1.366	18	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	109.9075	0.237	2	110.3479	1.366	18	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.5376	1.239	14	110.3479	1.366	18	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|O<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	109.7985	0.228	2	109.9257	1.102	12	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|O<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.0945	0.606	6	109.9257	1.102	12	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|O<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	F(B[6]N[5a,6]2F)	109.7360	1.816	4	109.9257	1.102	12	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Pd<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.0445	0.859	2	109.8998	0.824	6	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Pd<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	109.8275	1.052	4	109.8998	0.824	6	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	109.6505	0.754	2	109.9661	0.643	16	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	110.9690	0.808	2	109.9661	0.643	16	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|Br<1>,1|S<2>,3|C<3>}	F(B[6]N[5a,6]2F)	109.8865	0.483	4	109.9661	0.643	16	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2F)	110.0913	0.698	4	109.9661	0.643	16	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|Br<1>,3|C<3>}	F(B[6]N[5a,6]2F)	109.5768	1.057	4	109.9661	0.643	16	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	F(B[6]N[5a,6]2F)	110.0457	0.703	8	110.0457	0.494	8	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	109.8680	0.610	2	109.6153	0.212	4	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	F(B[6]N[5a,6]2F)	109.3625	0.090	2	109.6153	0.212	4	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2F)	107.8863	0.581	4	107.8863	0.338	4	110.2219	0.566	1893	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	F(B[6]N[5a,6]N[6,6]F)	112.1455	1.242	2	112.1455	1.544	2	111.9567	1.628	21	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	F(B[6]N[5a,6]N[6,6]F)	111.2830	1.698	2	111.2830	2.885	2	111.9567	1.628	21	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	F(B[6]N[5a,6]N[6,6]F)	111.9945	0.119	4	112.2281	0.980	14	111.9567	1.628	21	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	F(B[6]N[5a,6]N[6,6]F)	112.5130	0.511	4	112.2281	0.980	14	111.9567	1.628	21	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	F(B[6]N[5a,6]N[6,6]F)	112.1420	1.729	4	112.2281	0.980	14	111.9567	1.628	21	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	F(B[6]N[5a,6]N[6,6]F)	112.2980	1.540	2	112.2281	0.980	14	111.9567	1.628	21	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	F(B[6]N[5a,6]N[6,6]F)	112.4000	0.000	1	112.4000	0.000	1	111.9567	1.628	21	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N)	F(B[6]N[5a,6]N[6,6]F)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	F(B[6]N[5a,6]N[6,6]F)	110.3195	2.797	2	110.3195	7.821	2	111.9567	1.628	21	110.2484	0.625	1932	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:2:1:	3:3:4:	4:	N[5a,6]-3:N[5a,6]-3:C-2:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF)	F(B[6]N[5a,6]2C)	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F){1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF){1|N<3>,5|C<3>}	F(B[6]N[5a,6]2C)	110.9800	0.404	2	110.9800	0.164	2	110.9800	0.164	2	110.9800	0.164	2	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:2:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	F(B[6]N[5a,6]2O)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2O)	110.4035	0.436	4	110.4035	0.190	4	111.1817	1.577	6	111.1817	1.577	6	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:2:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	F(B[6]N[5a,6]2O)	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[5a,6]2O)	112.7380	0.219	2	112.7380	0.048	2	111.1817	1.577	6	111.1817	1.577	6	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	F(B[6]N[5a,6]2C[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	F(B[6]N[5a,6]2C[6a])	109.4535	0.223	2	110.0088	1.169	8	109.7609	1.477	10	109.7609	1.477	10	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	F(B[6]N[5a,6]2C[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|F<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	F(B[6]N[5a,6]2C[6a])	109.5203	0.447	4	110.0088	1.169	8	109.7609	1.477	10	109.7609	1.477	10	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	F(B[6]N[5a,6]2C[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){2|C<4>,2|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2C[6a])	111.5410	1.126	2	110.0088	1.169	8	109.7609	1.477	10	109.7609	1.477	10	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:F-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	F(B[6]N[5a,6]2C[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(F){4|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	F(B[6]N[5a,6]2C[6a])	108.7695	1.630	2	108.7695	2.657	2	109.7609	1.477	10	109.7609	1.477	10	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:4:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	F(B[6]N[5a,6]2C)	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	F(B[6]N[5a,6]2C)	111.8230	0.728	2	111.8230	0.530	2	109.9013	5.206	4	109.9013	5.206	4	110.2145	0.870	2334	110.2362	0.930	2353
874	813	830	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	F	3:3:4:1:	3:4:3:	4:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	F(B[6]N[5a,6]2C)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F){2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	F(B[6]N[5a,6]2C)	107.9795	0.562	2	107.9795	0.316	2	109.9013	5.206	4	109.9013	5.206	4	110.2145	0.870	2334	110.2362	0.930	2353