610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:2:2:2:	3:3:4:	4:1:	C[6a]-3:C-2:C-2:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-1:	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3)	C(BC[6a]CC)(N)	B(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC3){1|C<3>,1|F<1>,1|H<1>}	C(BC[6a]CC)(N)	111.2550	0.745	5	111.2550	0.555	5	111.2550	0.555	5	111.2550	0.555	5	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:2:2:2:	3:3:4:	4:4:	C[6a]-3:C-2:C-2:C-2:	C[6a]-3:C[6a]-3:B-4:	P-4:B-4:	B(C[6a]C[6a]2)(CP)3	C[6a](C[6a]C[6a]H)2(BC3)	C(PC[6a]2Cu)(BC[6a]CC)	B(C[6a]C[6a]2)(CP)3	C[6a](C[6a]C[6a]H)2(BC3){1|C<3>,2|H<1>}	C(PC[6a]2Cu)(BC[6a]CC)	107.0270	2.931	3	107.0270	8.591	3	107.0270	8.591	3	107.0270	8.591	3	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:C-2:H-1:	C[6a,6a]-3:C[6,6a]-3:B-4:	B-4:N-1:	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH)	C(BC[6a]C[5]H)(N)	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH){2|C<4>,3|C<3>,3|H<1>}	C(BC[6a]C[5]H)(N)	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	109.8295	10.594	2	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:N-1:	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(BC[5]CH)	C(BC[6a]C[5]H)(N)	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(BC[5]CH){1|C<3>,2|H<1>}	C(BC[6a]C[5]H)(N)	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	109.8295	10.594	2	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:B-4:	B-4:N-1:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2C)	C(BC[6a]3)(N)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2C){1|C<4>,1|H<1>,3|C<3>}	C(BC[6a]3)(N)	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	106.0084	21.280	15	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-1:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	C(BC[6a]3)(N)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	C(BC[6a]3)(N)	102.2020	3.049	2	102.2020	9.297	2	105.9432	22.848	14	106.0084	21.280	15	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-1:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	C(BC[6a]3)(N)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	C(BC[6a]3)(N)	106.9891	8.739	4	106.9891	76.371	4	105.9432	22.848	14	106.0084	21.280	15	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-1:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	C(BC[6a]3)(N)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	C(BC[6a]3)(N)	106.7993	1.520	7	106.3555	3.555	8	105.9432	22.848	14	106.0084	21.280	15	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-1:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	C(BC[6a]3)(N)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|Ru<6>,1|C<3>,1|H<1>}	C(BC[6a]3)(N)	103.2490	0.000	1	106.3555	3.555	8	105.9432	22.848	14	106.0084	21.280	15	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(CCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CC[6a])	B(C[6a]C[6a]2)2(CCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CC[6a])	108.7240	5.341	2	108.7240	28.531	2	108.7240	28.531	2	107.6588	13.839	55	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(NC)	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(NC)	105.1215	2.087	4	105.1215	4.355	4	105.7023	4.240	6	107.6588	13.839	55	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(NC)	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(NC)	106.8640	2.022	2	106.8640	4.090	2	105.7023	4.240	6	107.6588	13.839	55	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CC[6a])	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CC[6a])	108.2017	3.954	30	108.2017	15.636	30	108.2422	14.373	33	107.6588	13.839	55	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	C(BC[6a]3)(CC[6a])	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	C(BC[6a]3)(CC[6a])	108.6473	1.726	3	108.6473	2.978	3	108.2422	14.373	33	107.6588	13.839	55	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(NB)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(NB)	105.8873	2.890	3	105.8873	8.350	3	106.3072	12.901	12	107.6588	13.839	55	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(NFe)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(NFe)	106.8557	4.086	3	106.8557	16.699	3	106.3072	12.901	12	107.6588	13.839	55	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(NN)	106.2430	4.251	6	106.2430	18.070	6	106.3072	12.901	12	107.6588	13.839	55	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(NCC)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	C(BC[6a]2N)(CC[6a])	B(C[6a]C[6a]2)2(NCC)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	C(BC[6a]2N)(CC[6a])	110.9470	3.965	2	110.9470	15.725	2	110.9470	15.725	2	107.6588	13.839	55	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	4:3:3:	4:1:	C[5a]-3:C[6a]-3:C[6a]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:N-1:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2	C(BC[5a]C[6a]2)(N)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(BC[5a]C[6a]2)(N)	108.8880	6.517	2	108.8880	42.467	2	108.8880	42.467	2	108.8880	42.467	2	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:C[5]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-2:	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2	C(BC[6a]2C[5])(CH)	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(BC[6a]2C[5])(CH)	106.4267	1.441	4	106.4267	2.076	4	106.4267	2.076	4	106.4920	7.856	8	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-2:	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	C(BC[6a]2C[6])(CC[6a])	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2C[6])(CC[6a])	107.0375	6.417	2	107.0375	41.178	2	107.0375	41.178	2	106.4920	7.856	8	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:3:2:	4:3:3:	4:2:	N[5]-3:C[6a]-3:C[6a]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-2:	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(CC)	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2	C(BC[6a]2N[5])(CC[6a])	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(CC)	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2N[5])(CC[6a])	106.0770	2.575	2	106.0770	6.632	2	106.0770	6.632	2	106.4920	7.856	8	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:O-1:	B(C[6a]C[6a]2)2(CCHH)(CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(O)	B(C[6a]C[6a]2)2(CCHH)(CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(O)	108.6075	2.435	2	108.6075	5.927	2	108.6075	5.927	2	108.6075	5.927	2	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(CCCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CC[6a])	B(C[6a]C[6a]2)2(CCCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CC[6a])	110.2065	3.071	2	110.2065	9.431	2	109.9093	9.649	10	109.1478	11.386	32	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CC)	B(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CC)	110.2325	4.871	2	110.2325	23.729	2	109.9093	9.649	10	109.1478	11.386	32	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CC[6a])	B(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CC[6a])	108.4130	6.675	2	108.4130	44.557	2	109.9093	9.649	10	109.1478	11.386	32	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(CHHP)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	C(BC[6a]2C)(CC)	B(C[6a]C[6a]2)2(CHHP)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C(BC[6a]2C)(CC)	110.6070	1.772	2	110.6070	3.140	2	109.9093	9.649	10	109.1478	11.386	32	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(CHHP)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	C(BC[6a]2C)(CC[6a])	B(C[6a]C[6a]2)2(CHHP)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C(BC[6a]2C)(CC[6a])	110.0875	0.291	2	110.0875	0.084	2	109.9093	9.649	10	109.1478	11.386	32	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(NC)	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(NC)	107.8175	1.155	2	107.8175	1.333	2	106.9596	7.407	14	109.1478	11.386	32	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(NC)	B(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(NC)	106.6430	2.210	10	106.6430	4.885	10	106.9596	7.407	14	109.1478	11.386	32	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(NC[6a])	B(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(NC[6a])	107.6845	6.889	2	107.6845	47.463	2	106.9596	7.407	14	109.1478	11.386	32	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:N-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(NHHN)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CN)	C(BC[6a]2N)(CC[6a])	B(C[6a]C[6a]2)2(NHHN)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CN){1|C<3>,2|H<1>}	C(BC[6a]2N)(CC[6a])	112.0251	2.096	8	112.0251	4.393	8	112.0251	4.393	8	109.1478	11.386	32	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-2:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	C(BC[6a]2C[5])(CC)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2C[5])(CC)	108.1625	5.000	2	108.1625	25.000	2	108.4203	15.957	6	107.4745	13.345	10	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-2:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	C(BC[6a]2C[5])(CC[6a])	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2C[5])(CC[6a])	108.5493	4.266	4	108.5493	18.196	4	108.4203	15.957	6	107.4745	13.345	10	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:N-2:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	C(BC[6a]2C[5])(NC)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2C[5])(NC)	106.8765	2.739	2	106.8765	7.500	2	106.8765	7.500	2	107.4745	13.345	10	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	3:3:4:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:C[6]-4:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-2:	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	C(BC[6a]2C[6])(CC[6a])	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2C[6])(CC[6a])	105.2350	4.087	2	105.2350	16.704	2	105.2350	16.704	2	107.4745	13.345	10	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	4:3:3:2:	3:3:4:	4:2:	C-4:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(NC)	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(NC)	105.4550	4.197	2	105.4550	17.618	2	105.4550	17.618	2	105.4550	17.618	2	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:C[6a]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:O-1:	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	C[6a](BC[5,6]C[6a]C)(C[6a]C[6a]F)2	C(BC[5,6]C[6a]2)(O)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	C[6a](BC[5,6]C[6a]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[5,6]C[6a]2)(O)	108.5690	6.515	2	108.5690	42.449	2	108.5690	42.449	2	108.9555	64.196	4	107.9251	14.903	140	107.9251	14.903	140
610	643	983	0:SP3_SP1_SP2	B	C[6a]	C	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:N-1:	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CN)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2	C(BC[6a]2C[5])(N)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CN)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(BC[6a]2C[5])(N)	109.3420	12.229	2	109.3420	149.541	2	109.3420	149.541	2	108.9555	64.196	4	107.9251	14.903	140	107.9251	14.903	140
610	643	984	0:SP3_SP-NON_SP2	B	C[6a]	Ga	3:3:3:4:	3:3:4:	4:2:2:2:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:B-4:	B-4:S-2:S-2:S-2:	B(C[6a]C[6a]2)3(GaS3)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	Ga(BC[6a]3)(SC[5])3	B(C[6a]C[6a]2)3(GaS3)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	Ga(BC[6a]3)(SC[5])3	104.7420	1.237	5	104.7420	1.531	5	104.7420	1.531	5	104.7420	1.531	5	104.7420	1.531	5	104.7420	1.531	5
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	3:3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC[6a]3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(C[6a]C[6a]2)3(BC[6a]3)	B(C[6a]C[6a]2)3(PC[6a]3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)3(BC[6a]3)	105.3097	0.627	3	105.3097	0.393	3	105.3097	0.393	3	105.3097	0.393	3	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	3:3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:H-1:	B(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(C[6a]C[6a]2)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(BC[6a]3)(H)	105.6797	4.300	6	105.6797	18.490	6	105.6797	18.490	6	105.6797	18.490	6	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	3:3:4:5:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:B-5:	B(C[6a]C[6a]2)3(PC[6a]2B)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(C[6a]C[6a]2)2(BC[6a]3)(BMgH3)	B(C[6a]C[6a]2)3(PC[6a]2B)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(BC[6a]3)(BMgH3)	106.9800	3.574	3	106.9800	12.773	3	106.9800	12.773	3	106.9800	12.773	3	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:H-1:H-1:	B(C[6a]C[6a]2)3(PC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(C[6a]C[6a]2)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(PC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)(BC[6a]3)(H)2	106.1180	6.198	6	106.1180	38.421	6	106.1180	38.421	6	106.1180	38.421	6	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:Si-4:H-1:	B(C[6a]C[6a]2)3(PC[6a]SiH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(C[6a]C[6a]2)(BC[6a]3)(SiC3)(H)	B(C[6a]C[6a]2)3(PC[6a]SiH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)(BC[6a]3)(SiC3)(H)	105.1763	2.109	3	105.1763	4.446	3	105.1763	4.446	3	105.1763	4.446	3	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:2:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:O-2:O-2:O-1:	B(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(OC)2(O)	B(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(OC)2(O)	106.4970	1.204	3	106.4970	1.449	3	106.4970	1.449	3	106.4970	1.449	3	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:2:2:2:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:O-2:O-2:O-2:	B(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(OC)3	B(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(OC)3	105.2190	1.399	3	105.2190	1.957	3	105.2190	1.957	3	105.2190	1.957	3	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:2:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:O-2:O-2:C-4:	B(C[6a]C[6a]2)3(PCOO)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(OC[6a])2(CC3)	B(C[6a]C[6a]2)3(PCOO)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(OC[6a])2(CC3)	107.8268	4.370	6	107.8268	19.093	6	107.8268	19.093	6	107.8268	19.093	6	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:B-4:H-1:H-1:	B(C[6a]C[6a]2)3(PBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(BHHS)(H)2	B(C[6a]C[6a]2)3(PBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(BHHS)(H)2	105.6670	1.003	6	105.6670	1.005	6	105.6670	1.005	6	105.6670	1.005	6	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:B-4:C-4:H-1:	B(C[6a]C[6a]2)3(PBCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(BH3)(CC3)(H)	B(C[6a]C[6a]2)3(PBCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(BH3)(CC3)(H)	108.3793	7.531	3	108.3793	56.721	3	108.3793	56.721	3	107.4024	24.006	15	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:H-1:	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(CC3)2(H)	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(CC3)2(H)	108.6250	5.664	3	108.6250	32.080	3	106.9823	12.087	9	107.4024	24.006	15	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:H-1:	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(CCHH)2(H)	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(CCHH)2(H)	106.1610	2.020	6	106.1610	4.079	6	106.9823	12.087	9	107.4024	24.006	15	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[5]-4:C[5]-4:B-4:H-1:	B(C[6a]C[6a]2)3(PC[5]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(C[5]C[5]2H)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(PC[5]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(C[5]C[5]2H)2(BC[6a]3)(H)	107.6858	7.786	3	107.6858	60.626	3	107.6858	60.626	3	107.4024	24.006	15	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:2:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:N-2:	B(C[6a]C[6a]2)3(PCCN)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(CCCH)2(NP)	B(C[6a]C[6a]2)3(PCCN)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(CCCH)2(NP)	109.0700	6.776	5	109.0700	45.913	5	109.0700	45.913	5	109.0700	45.913	5	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P)	P(BC[6a]3)(CCHH)3	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(CCHH)3	108.3387	1.813	3	108.3387	3.285	3	106.8794	3.519	14	106.8629	4.060	23	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(CCHH)3	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(CCHH)3	106.4984	1.970	9	106.4984	3.879	9	106.8794	3.519	14	106.8629	4.060	23	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(BC[6a]3)(CH3)3	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(BC[6a]3)(CH3)3	106.4050	0.008	2	106.4050	0.000	2	106.8794	3.519	14	106.8629	4.060	23	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6]-4:C[6]-4:C[6]-4:B-4:	B(C[6a]C[6a]2)3(PC[6]3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	P(C[6]C[6]2H)3(BC[6a]3)	B(C[6a]C[6a]2)3(PC[6]3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	P(C[6]C[6]2H)3(BC[6a]3)	106.8371	2.334	9	106.8371	5.446	9	106.8371	5.446	9	106.8629	4.060	23	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:4:1:	3:3:4:	3:3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	P(C[6a]C[6a]2)3(BC[6a]2H)	B(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)3(BC[6a]2H)	108.5380	0.612	2	108.5380	0.375	2	108.5380	0.375	2	108.5380	0.375	2	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:4:1:	3:3:4:	3:3:4:1:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:H-1:	B(C[6a]C[6a]2)2(PC[6a]2H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	P(C[6a]C[6a]2)2(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(PC[6a]2H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(BC[6a]2H)(H)	111.9920	1.369	2	111.9920	1.874	2	111.9920	1.874	2	111.9920	1.874	2	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:4:1:	3:3:4:	3:3:4:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:C-4:	B(C[6a]C[6a]2)2(PC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	P(C[6a]C[6a]2)2(BC[6a]2H)(CZrHH)	B(C[6a]C[6a]2)2(PC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(BC[6a]2H)(CZrHH)	114.6380	1.780	2	114.6380	3.170	2	114.6380	3.170	2	114.6380	3.170	2	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:H-1:	B(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	P(BC[6a]2H)(CCHH)2(H)	B(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	P(BC[6a]2H)(CCHH)2(H)	111.0230	3.339	4	111.0230	11.146	4	111.0230	11.146	4	111.0230	11.146	4	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:B-3:P-4:Br-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	C[6a](C[6a]C[6a]C)2(BBrBP)	P(BC[6a]BrB)(CH3)3	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	C[6a](C[6a]C[6a]C)2(BBrBP){1|C<3>,2|H<1>}	P(BC[6a]BrB)(CH3)3	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	109.3633	4.384	3	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:B-3:P-4:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]C)2(BClBP)	P(BC[6a]ClB)(CCHH)3	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]C)2(BClBP){1|C<3>,2|H<1>}	P(BC[6a]ClB)(CCHH)3	111.7800	0.000	1	111.7800	0.000	1	109.9985	6.347	2	109.3633	4.384	3	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:3:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:B-3:P-4:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]C)2(BClBP)	P(BC[6a]ClB)(CH3)3	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]C)2(BClBP){1|C<3>,2|H<1>}	P(BC[6a]ClB)(CH3)3	108.2170	0.000	1	108.2170	0.000	1	109.9985	6.347	2	109.3633	4.384	3	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:4:1:1:	3:3:4:	3:4:3:3:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:C-3:	B(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]F)2(BHHP)	P(C[6a]C[6a]2)(BC[6a]HH)(CCH)2	B(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]F)2(BHHP){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)(BC[6a]HH)(CCH)2	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	3:4:4:1:	3:3:4:	3:3:4:4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:C-4:	B(C[6a]C[6a]2)(PC[6a]2C)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BCHP)	P(C[6a]C[6a]2)2(BC[6a]CH)(CCCH)	B(C[6a]C[6a]2)(PC[6a]2C)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BCHP){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(BC[6a]CH)(CCCH)	106.2100	0.000	1	106.2100	0.000	1	106.2100	0.000	1	106.2100	0.000	1	107.4411	15.323	98	107.4411	15.323	98
610	643	992	0:SP3_SP2_SP3	B	C[6a]	P	4:3:1:1:	3:3:4:	3:4:4:4:	P-4:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:B-4:	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BCl2P)	P(C[6a]C[6a]2)(C[6]C[6]2H)2(BC[6a]Cl2)	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BCl2P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2(BC[6a]Cl2)	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	107.4411	15.323	98	107.4411	15.323	98
610	643	999	0:SP3_SP2_SP3	B	C[6a]	N[5]	3:3:3:4:	4:3:3:	4:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:B-4:H-1:	B(C[6a]C[6a]2)3(N[5]C[5]2H)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	N[5](C[5]C[5]HH)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(N[5]C[5]2H)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[5](C[5]C[5]HH)2(BC[6a]3)(H){4|H<1>}	108.6637	1.218	6	108.6637	1.483	6	108.6637	1.483	6	108.6637	1.483	6	108.3593	4.131	9	108.3593	4.131	9
610	643	999	0:SP3_SP2_SP3	B	C[6a]	N[5]	4:3:3:3:	4:3:3:	3:4:4:1:	N[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:B-4:H-1:	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H)	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H){2|C<3>,3|H<1>}	107.7507	3.461	3	107.7507	11.982	3	107.7507	11.982	3	107.7507	11.982	3	108.3593	4.131	9	108.3593	4.131	9
610	727	762	0:SP3_SP2_SP2	B	C[5a]	C[6]	3:3:3:2:	3:2:4:	3:3:4:	C[5a]-3:C[6]-3:O-3:O-2:	C[5a]-3:S[5a]-2:B-4:	N[6]-3:C[6]-3:B-4:	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6]OO)	C[6](N[6]C[6]Li)(C[6]C[6]H)(BC[5a]OO)	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6]OO){2|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(BC[5a]OO){1|H<1>,2|C<3>}	108.6655	2.391	2	108.6655	5.716	2	108.6655	5.716	2	108.6655	5.716	2	108.6655	5.716	2	108.6655	5.716	2
610	727	830	0:SP3_SP-NON_SP2	B	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:B-4:	B-4:	B(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	F(BC[5a]FF)	B(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	F(BC[5a]FF)	111.4044	2.055	9	111.4044	4.224	9	111.4044	4.224	9	111.4044	4.224	9	109.0008	17.094	13	109.0008	17.094	13
610	727	830	0:SP3_SP-NON_SP2	B	C[5a]	F	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:F-1:	C[5a]-3:S[5a]-2:B-4:	B-4:	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2F)	F(BC[5a]C[6a]2)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2F){1|C<2>,1|H<1>}	F(BC[5a]C[6a]2)	103.5925	0.884	4	103.5925	0.781	4	103.5925	0.781	4	103.5925	0.781	4	109.0008	17.094	13	109.0008	17.094	13
610	727	856	0:SP3_SP2_SP2	B	C[5a]	N[6]	3:3:3:3:	4:3:2:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[5a]-3:S[5a]-2:	B-4:C[6]-3:C[6]-3:	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[5a](BC[6a]2N[6])(C[5a]C[5a]H)(S[5a]C[5a])	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[5a](BC[6a]2N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1
610	727	893	0:SP3_SP2_SP3	B	C[5a]	O	3:3:3:2:	3:2:4:	4:4:	C[5a]-3:C[6]-3:O-3:O-2:	C[5a]-3:S[5a]-2:B-4:	B-4:C-4:	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6]OO)	O(BC[5a]C[6]O)(CCCH)	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6]OO){2|H<1>}	O(BC[5a]C[6]O)(CCCH)	106.1995	0.346	2	106.1995	0.120	2	106.1995	0.120	2	106.1995	0.120	2	103.5846	4.436	7	103.5846	4.436	7
610	727	893	0:SP3_SP2_SP3	B	C[5a]	O	3:3:3:2:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:B-4:	B-4:P-4:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<2>,1|C<3>,1|S<2>}	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	101.9110	0.065	2	102.5386	1.838	5	102.5386	1.838	5	102.5386	1.838	5	103.5846	4.436	7	103.5846	4.436	7
610	727	893	0:SP3_SP2_SP3	B	C[5a]	O	3:3:3:2:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:B-4:	B-4:P-4:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	104.1820	0.000	1	102.5386	1.838	5	102.5386	1.838	5	102.5386	1.838	5	103.5846	4.436	7	103.5846	4.436	7
610	727	893	0:SP3_SP2_SP3	B	C[5a]	O	3:3:3:2:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:B-4:	B-4:P-4:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|S<2>,2|C<3>}	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	102.3445	1.945	2	102.5386	1.838	5	102.5386	1.838	5	102.5386	1.838	5	103.5846	4.436	7	103.5846	4.436	7
610	727	983	0:SP3_SP1_SP2	B	C[5a]	C	3:3:3:2:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[5a]-3:B-4:	B-4:N-1:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C)	C(BC[5a]C[6a]2)(N)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C){1|S<2>,2|C<3>}	C(BC[5a]C[6a]2)(N)	99.5368	0.000	1	99.5368	0.000	1	99.5368	0.000	1	99.5368	0.000	1	99.5368	0.000	1	99.5368	0.000	1
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-3:O-2:	N[6]-3:C[6]-3:B-4:	N[6]-3:C[6]-3:B-4:	B(C[6]C[6]N[6])2(OPtC)(OC)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]OO)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]OO)	B(C[6]C[6]N[6])2(OPtC)(OC)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]OO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]OO){1|C<3>,2|H<1>}	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:3:3:	2:2:4:	2:2:4:	C[6]-3:C[6]-3:C[6]-3:C[6]-3:	C[6]-2:C[6]-2:B-4:	C[6]-2:C[6]-2:B-4:	B(C[6]C[6]2)4	C[6](C[6]C[6])2(BC[6]3)	C[6](C[6]C[6])2(BC[6]3)	B(C[6]C[6]2)4	C[6](C[6]C[6])2(BC[6]3){1|C<2>}	C[6](C[6]C[6])2(BC[6]3){1|C<2>}	109.4971	2.828	41	109.4971	7.997	41	109.4971	7.997	41	109.4971	7.997	41	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C[6]-3:C[6a]-3:	B-4:N[6]-3:C[6]-3:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6](BC[6a]C[6]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](BC[6a]C[6]2)(N[6]C[6]Fe)(C[6]C[6]H)	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6](BC[6a]C[6]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	105.9075	3.776	18	105.9075	14.256	18	106.7707	16.728	39	106.7076	16.570	42	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C[6]-3:C[6a]-3:	B-4:N[6]-3:C[6]-3:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6](BC[6a]C[6]2)(N[6]C[6]Mg)(C[6]C[6]H)	C[6](BC[6a]C[6]2)(N[6]C[6]Mg)(C[6]C[6]H)	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6](BC[6a]C[6]2)(N[6]C[6]Mg)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Mg)(C[6]C[6]H){1|C<3>,2|H<1>}	107.8888	4.582	12	107.8888	20.994	12	106.7707	16.728	39	106.7076	16.570	42	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C[6]-3:C[6a]-3:	B-4:N[6]-3:C[6]-3:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6](BC[6a]C[6]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](BC[6a]C[6]2)(N[6]C[6]Ru)(C[6]C[6]H)	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6](BC[6a]C[6]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|H<1>}	107.0062	4.084	9	107.0062	16.682	9	106.7707	16.728	39	106.7076	16.570	42	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	B-4:N[6]-3:C[6]-3:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])2(C[6a]C[6a]2)(OPtC)	C[6](BC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](BC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H)	B(C[6]C[6]N[6])2(C[6a]C[6a]2)(OPtC)	C[6](BC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	103.2610	0.397	2	103.2610	0.158	2	103.2610	0.158	2	106.7076	16.570	42	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	B-4:C[6]-3:C[6]-3:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](BC[6a]2C[6])(C[6]C[6]H)2	C[6](BC[6a]2C[6])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](BC[6a]2C[6])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](BC[6a]2C[6])(C[6]C[6]H)2{1|C<2>}	111.1410	0.000	1	111.1410	0.000	1	111.1410	0.000	1	106.7076	16.570	42	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:3:3:	4:4:3:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	B-4:C[6]-4:C[6]-3:	B-4:C[6]-4:C[6]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](BC[6a]2C[6])(C[6]C[6]DyH)(C[6]C[6]H)	C[6](BC[6a]2C[6])(C[6]C[6]DyH)(C[6]C[6]H)	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](BC[6a]2C[6])(C[6]C[6]DyH)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](BC[6a]2C[6])(C[6]C[6]DyH)(C[6]C[6]H){1|C<3>,2|H<1>}	110.5120	0.197	2	110.5120	0.039	2	110.4460	0.024	4	110.4460	0.024	4	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:3:3:	4:4:3:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	B-4:C[6]-4:C[6]-3:	B-4:C[6]-4:C[6]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](BC[6a]2C[6])(C[6]C[6]TbH)(C[6]C[6]H)	C[6](BC[6a]2C[6])(C[6]C[6]TbH)(C[6]C[6]H)	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](BC[6a]2C[6])(C[6]C[6]TbH)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](BC[6a]2C[6])(C[6]C[6]TbH)(C[6]C[6]H){1|C<3>,2|H<1>}	110.3800	0.120	2	110.3800	0.014	2	110.4460	0.024	4	110.4460	0.024	4	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:4:3:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C[6]-4:C[6a]-3:	B-4:N[6]-3:C[6]-3:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])2(C[6]C[6]2Pt)(C[6a]C[6a]2)	C[6](BC[6a]C[6]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](BC[6a]C[6]2)(N[6]C[6]Pt)(C[6]C[6]H)	B(C[6]C[6]N[6])2(C[6]C[6]2Pt)(C[6a]C[6a]2)	C[6](BC[6a]C[6]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:4:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-3:B-4:	N[6]-3:C[6]-3:B-4:	B(C[6]C[6]N[6])2(CH3)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(BC[6]CC)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(BC[6]CC)	B(C[6]C[6]N[6])2(CH3)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(BC[6]CC){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(BC[6]CC){1|C<3>,2|H<1>}	103.6790	0.214	2	103.6790	0.046	2	105.3130	3.731	4	105.3130	3.731	4	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:4:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-3:B-4:	N[6]-3:C[6]-3:B-4:	B(C[6]C[6]N[6])2(CH3)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]CC)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]CC)	B(C[6]C[6]N[6])2(CH3)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]CC){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]CC){1|C<3>,2|H<1>}	106.4640	0.000	1	106.4640	0.000	1	105.3130	3.731	4	105.3130	3.731	4	108.0630	13.318	93	108.0630	13.318	93
610	762	762	0:SP3_SP2_SP2	B	C[6]	C[6]	3:3:4:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:C-4:	N[6]-3:C[6]-3:B-4:	N[6]-3:C[6]-3:B-4:	B(C[6]C[6]N[6])2(CH3)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(BC[6]CC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(BC[6]CC)	B(C[6]C[6]N[6])2(CH3)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(BC[6]CC){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(BC[6]CC){1|C<3>,2|H<1>}	107.4300	0.000	1	107.4300	0.000	1	105.3130	3.731	4	105.3130	3.731	4	108.0630	13.318	93	108.0630	13.318	93
610	762	790	0:SP3_SP-NON_SP2	B	C[6,6]	Cl	3:1:1:1:	3:4:4:	4:	C[6,6]-3:Cl-1:Cl-1:Cl-1:	N[6,6]-3:C[3x6]-4:B-4:	B-4:	B(C[6,6]C[3x6]N[6,6])(Cl)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3)	Cl(BC[6,6]Cl2)	B(C[6,6]C[3x6]N[6,6])(Cl)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3){2|C<3>,3|H<1>,4|C<4>}	Cl(BC[6,6]Cl2)	110.7757	7.225	6	110.7757	52.206	6	110.7757	52.206	6	110.7757	52.206	6	110.7757	52.206	6	110.6092	61.681	9
610	762	790	0:SP3_SP-NON_SP2	B	C[6]	Cl	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:Cl-1:Cl-1:	N[6]-3:N[6]-3:B-4:	B-4:	B(C[6]N[6]2)(Cl)3	C[6](N[6]C[6a]C[6])2(BCl3)	Cl(BC[6]Cl2)	B(C[6]N[6]2)(Cl)3	C[6](N[6]C[6a]C[6])2(BCl3){1|C<4>,2|O<1>,4|C<3>}	Cl(BC[6]Cl2)	110.2762	10.768	3	110.2762	115.958	3	110.2762	115.958	3	110.2762	115.958	3	110.2762	115.958	3	110.6092	61.681	9
610	762	818	0:SP3_SP2_SP2	B	C[6]	C[5]	3:3:1:1:	3:4:4:	3:3:4:	C[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH)	C[5](N[5]C[5]C)2(BC[6]HH)	B(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5](N[5]C[5]C)2(BC[6]HH){2|H<1>}	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1
610	762	830	0:SP3_SP-NON_SP2	B	C[6,6]	F	3:1:1:1:	3:4:4:	4:	C[6,6]-3:F-1:F-1:F-1:	N[6,6]-3:C[3x6]-4:B-4:	B-4:	B(C[6,6]C[3x6]N[6,6])(F)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3)	F(BC[6,6]FF)	B(C[6,6]C[3x6]N[6,6])(F)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3){2|C<3>,3|H<1>,4|C<4>}	F(BC[6,6]FF)	109.1911	2.638	9	109.1911	6.959	9	109.1911	6.959	9	109.1911	6.959	9	109.1911	6.959	9	109.2843	5.639	18
610	762	830	0:SP3_SP-NON_SP2	B	C[6]	F	3:1:1:1:	3:3:4:	4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(C[6]C[6]2)(F)3	C[6](C[6]C[6]H)2(BF3)	F(BC[6]FF)	B(C[6]C[6]2)(F)3	C[6](C[6]C[6]H)2(BF3){1|C<4>,1|H<1>,1|N<3>}	F(BC[6]FF)	110.7900	1.076	3	110.7900	1.158	3	110.7900	1.158	3	109.3776	5.003	9	109.3776	5.003	9	109.2843	5.639	18
610	762	830	0:SP3_SP-NON_SP2	B	C[6]	F	3:1:1:1:	3:3:4:	4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:N[6]-3:B-4:	B-4:	B(C[6]N[6]2)(F)3	C[6](N[6]C[5,6]C[6a])2(BF3)	F(BC[6]FF)	B(C[6]N[6]2)(F)3	C[6](N[6]C[5,6]C[6a])2(BF3){2|H<1>,3|C<4>,4|C<3>}	F(BC[6]FF)	109.1823	1.301	3	109.1823	1.693	3	108.6713	5.746	6	109.3776	5.003	9	109.3776	5.003	9	109.2843	5.639	18
610	762	830	0:SP3_SP-NON_SP2	B	C[6]	F	3:1:1:1:	3:3:4:	4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:N[6]-3:B-4:	B-4:	B(C[6]N[6]2)(F)3	C[6](N[6]C[6a]C[6])2(BF3)	F(BC[6]FF)	B(C[6]N[6]2)(F)3	C[6](N[6]C[6a]C[6])2(BF3){1|C<4>,2|O<1>,4|C<3>}	F(BC[6]FF)	108.1603	3.448	3	108.1603	11.890	3	108.6713	5.746	6	109.3776	5.003	9	109.3776	5.003	9	109.2843	5.639	18
610	762	856	0:SP3_SP2_SP2	B	C[6]	N[6]	3:3:4:4:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6]C[6]2)(N[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)2(BN[6]CC)	N[6](C[6]C[6]H)2(BC[6]CC)	B(C[6]C[6]2)(N[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)2(BN[6]CC){1|N<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6]CC){1|C<3>,2|H<1>}	104.9896	0.622	5	104.9896	0.387	5	105.4093	0.802	7	105.4093	0.802	7	105.4093	0.802	7	105.4093	0.802	7
610	762	856	0:SP3_SP2_SP2	B	C[6]	N[6]	3:3:4:4:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6]C[6]2)(N[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BN[6]CC)	N[6](C[6]C[6]H)2(BC[6]CC)	B(C[6]C[6]2)(N[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BN[6]CC){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6]CC){1|B<4>,1|C<3>,1|H<1>}	106.4585	0.429	2	106.4585	0.184	2	105.4093	0.802	7	105.4093	0.802	7	105.4093	0.802	7	105.4093	0.802	7
610	762	893	0:SP3_SP2_SP2	B	C[6]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O)	O(BC[6a]2C[6])(CC[5]O)	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	O(BC[6a]2C[6])(CC[5]O)	115.6540	0.000	1	115.6540	0.000	1	115.6540	0.000	1	115.6540	0.000	1	115.6540	0.000	1	115.6540	0.000	1
610	762	893	0:SP3_SP2_SP3	B	C[6]	O	3:2:2:2:	3:3:4:	4:1:	C[6]-3:O-2:O-2:O-2:	C[6]-3:C[6]-3:B-4:	B-4:C-1:	B(C[6]C[6]2)(OC)(ON)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BO3)	O(BC[6]OO)(C)	B(C[6]C[6]2)(OC)(ON)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BO3){1|Co<6>,1|C<3>,1|H<1>}	O(BC[6]OO)(C)	116.6460	0.000	1	116.6460	0.000	1	116.6460	0.000	1	116.6460	0.000	1	110.0858	18.532	13	110.0858	18.532	13
610	762	893	0:SP3_SP2_SP3	B	C[6]	O	3:2:2:2:	3:3:4:	4:3:	C[6]-3:O-2:O-2:O-2:	C[6]-3:C[6]-3:B-4:	B-4:N-3:	B(C[6]C[6]2)(OC)(ON)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BO3)	O(BC[6]OO)(NCoC)	B(C[6]C[6]2)(OC)(ON)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BO3){1|Co<6>,1|C<3>,1|H<1>}	O(BC[6]OO)(NCoC)	103.4615	0.592	2	103.4615	0.350	2	107.7726	11.602	8	107.7726	11.602	8	110.0858	18.532	13	110.0858	18.532	13
610	762	893	0:SP3_SP2_SP3	B	C[6]	O	3:2:2:2:	3:3:4:	4:3:	C[6]-3:O-2:O-2:O-2:	C[6]-3:C[6]-3:B-4:	B-4:N-3:	B(C[6]C[6]2)(ON)3	C[6](C[6]C[6]H)2(BO3)	O(BC[6]OO)(NC[6]Fe)	B(C[6]C[6]2)(ON)3	C[6](C[6]C[6]H)2(BO3){1|N<3>,2|H<1>}	O(BC[6]OO)(NC[6]Fe)	109.2097	2.502	6	109.2097	6.260	6	107.7726	11.602	8	107.7726	11.602	8	110.0858	18.532	13	110.0858	18.532	13
610	762	893	0:SP3_SP2_SP3	B	C[6]	O	3:3:3:2:	3:3:4:	4:4:	C[5a]-3:C[6]-3:O-3:O-2:	N[6]-3:C[6]-3:B-4:	B-4:C-4:	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	C[6](N[6]C[6]Li)(C[6]C[6]H)(BC[5a]OO)	O(BC[5a]C[6]O)(CCCH)	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	C[6](N[6]C[6]Li)(C[6]C[6]H)(BC[5a]OO){1|H<1>,2|C<3>}	O(BC[5a]C[6]O)(CCCH)	111.9620	0.850	2	111.9620	0.722	2	111.9620	0.722	2	113.0722	6.554	4	110.0858	18.532	13	110.0858	18.532	13
610	762	893	0:SP3_SP2_SP3	B	C[6]	O	3:3:3:2:	3:3:4:	4:4:	C[6]-3:C[6]-3:O-3:O-2:	N[6]-3:C[6]-3:B-4:	B-4:C-4:	B(C[6]C[6]N[6])2(OPtC)(OC)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]OO)	O(BC[6]2O)(CH3)	B(C[6]C[6]N[6])2(OPtC)(OC)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]OO){1|C<3>,2|H<1>}	O(BC[6]2O)(CH3)	114.1825	3.743	2	114.1825	14.008	2	114.1825	14.008	2	113.0722	6.554	4	110.0858	18.532	13	110.0858	18.532	13
610	762	924	0:SP3_SP-NON_SP2	B	C[6,6]	Br	3:1:1:1:	3:4:4:	4:	C[6,6]-3:Br-1:Br-1:Br-1:	N[6,6]-3:C[3x6]-4:B-4:	B-4:	B(C[6,6]C[3x6]N[6,6])(Br)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3)	Br(BC[6,6]Br2)	B(C[6,6]C[3x6]N[6,6])(Br)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3){2|C<3>,3|H<1>,4|C<4>}	Br(BC[6,6]Br2)	111.6410	8.314	6	111.6410	69.125	6	111.6410	69.125	6	111.6410	69.125	6	111.6410	69.125	6	111.0338	85.576	11
610	762	924	0:SP3_SP-NON_SP2	B	C[6]	Br	3:1:1:1:	3:3:4:	4:	C[6]-3:Br-1:Br-1:Br-1:	N[6]-3:N[6]-3:B-4:	B-4:	B(C[6]N[6]2)(Br)3	C[6](N[6]C[6a]C[6])2(BBr3)	Br(BC[6]Br2)	B(C[6]N[6]2)(Br)3	C[6](N[6]C[6a]C[6])2(BBr3){1|C<4>,4|C<3>,4|H<1>}	Br(BC[6]Br2)	112.3397	9.122	3	112.3397	83.219	3	112.3397	83.219	3	112.3397	83.219	3	110.3052	126.317	5	111.0338	85.576	11
610	762	924	0:SP3_SP-NON_SP2	B	C[6]	Br	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:Br-1:Br-1:	N[6]-3:N[6]-3:B-4:	B-4:	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	C[6](N[6]C[6a]C[6])2(BC[6a]Br2)	Br(BC[6a]C[6]Br)	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	C[6](N[6]C[6a]C[6])2(BC[6a]Br2){1|C<4>,2|O<1>,4|C<3>}	Br(BC[6a]C[6]Br)	107.2536	17.544	2	107.2536	307.788	2	107.2536	307.788	2	107.2536	307.788	2	110.3052	126.317	5	111.0338	85.576	11
610	762	951	0:SP3_SP-NON_SP2	B	C[6,6]	H	3:1:1:1:	3:4:4:	4:	C[6,6]-3:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:B-4:	B-4:	B(C[6,6]C[3x6]N[6,6])(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3)	H(BC[6,6]HH)	B(C[6,6]C[3x6]N[6,6])(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3){2|C<3>,3|H<1>,4|C<4>}	H(BC[6,6]HH)	109.0330	2.387	3	109.0330	5.699	3	109.0330	5.699	3	109.0330	5.699	3	109.0330	5.699	3	108.5575	4.240	6
610	762	951	0:SP3_SP-NON_SP2	B	C[6]	H	3:3:1:1:	3:4:4:	4:	C[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:B-4:	B-4:	B(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH)	H(BC[5]C[6]H)	B(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(BC[5]C[6]H)	109.2685	0.005	2	109.2685	0.000	2	109.2685	0.000	2	109.2685	0.000	2	108.0820	4.223	3	108.5575	4.240	6
610	762	951	0:SP3_SP-NON_SP2	B	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6](N[6]C[5,6]C)2(BC[6a]2H)	H(BC[6a]2C[6])	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6](N[6]C[5,6]C)2(BC[6a]2H){1|H<1>,4|C<4>}	H(BC[6a]2C[6])	105.7090	0.000	1	105.7090	0.000	1	105.7090	0.000	1	105.7090	0.000	1	108.0820	4.223	3	108.5575	4.240	6
610	762	983	0:SP3_SP1_SP2	B	C[6]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C)	C(BC[6a]2C[6])(CC[6a])	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C){1|C<3>,1|H<1>,2|C<4>}	C(BC[6a]2C[6])(CC[6a])	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1
610	770	770	0:SP3_SP2_SP2	B	B	B	3:3:3:2:	4:1:1:	4:1:1:	B-3:B-3:B-3:C-2:	B-4:Cl-1:Cl-1:	B-4:Cl-1:Cl-1:	B(BCl2)3(CO)	B(BBBC)(Cl)2	B(BBBC)(Cl)2	B(BCl2)3(CO)	B(BBBC)(Cl)2	B(BBBC)(Cl)2	111.5210	0.033	2	111.5210	0.001	2	111.5210	0.001	2	109.8550	2.323	7	109.8550	2.323	7	109.8550	2.323	7
610	770	770	0:SP3_SP2_SP2	B	B	B	3:3:3:2:	4:1:1:	4:1:1:	B-3:B-3:B-3:C-2:	B-4:F-1:F-1:	B-4:F-1:F-1:	B(BFF)3(CO)	B(BBBC)(F)2	B(BBBC)(F)2	B(BFF)3(CO)	B(BBBC)(F)2	B(BBBC)(F)2	109.1886	1.242	5	109.1886	1.541	5	109.1886	1.541	5	109.8550	2.323	7	109.8550	2.323	7	109.8550	2.323	7
610	770	790	0:SP3_SP-NON_SP2	B	B	Cl	3:3:1:1:	3:3:4:	4:	C[5]-3:B-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[5]N[5]2)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BC[5]Cl2)	Cl(BC[5]ClB)	B(C[5]N[5]2)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BC[5]Cl2)	Cl(BC[5]ClB)	106.6070	6.655	4	106.6070	44.286	4	106.6070	44.286	4	106.6070	44.286	4	104.7409	117.009	11	104.7409	117.009	11
610	770	790	0:SP3_SP-NON_SP2	B	B	Cl	3:3:4:1:	3:4:1:	4:	C[6a]-3:B-3:P-4:Cl-1:	C[6a]-3:B-4:Cl-1:	B-4:	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	Cl(BC[6a]BP)	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	Cl(BC[6a]BP)	85.2367	3.683	2	85.2367	13.567	2	85.2367	13.567	2	85.2367	13.567	2	104.7409	117.009	11	104.7409	117.009	11
610	770	790	0:SP3_SP-NON_SP2	B	B	Cl	3:4:4:1:	4:4:1:	4:	B-3:C-4:P-4:Cl-1:	B-4:C-4:Cl-1:	B-4:	B(BClC)(CC3)(PC3)(Cl)	B(BClCP)(CC3)(Cl)	Cl(BBCP)	B(BClC)(CC3)(PC3)(Cl)	B(BClCP)(CC3)(Cl)	Cl(BBCP)	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	104.7409	117.009	11	104.7409	117.009	11
610	770	790	0:SP3_SP-NON_SP2	B	B	Cl	4:3:1:1:	3:3:4:	4:	P-4:B-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(PC[6]2C)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BCl2P)	Cl(BClBP)	B(PC[6]2C)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BCl2P)	Cl(BClBP)	111.3365	4.010	4	111.3365	16.083	4	111.3365	16.083	4	111.3365	16.083	4	104.7409	117.009	11	104.7409	117.009	11
610	770	818	0:SP3_SP2_SP2	B	B	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:B-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(BC[6a]2)(Br)2	B(C[6a]C[6a]2)2(BC[5]Br2)	C[5](N[5]C[6a]C[5])2(BBr2B)	B(C[5]N[5]2)(BC[6a]2)(Br)2	B(C[6a]C[6a]2)2(BC[5]Br2)	C[5](N[5]C[6a]C[5])2(BBr2B){4|C<3>,4|H<1>}	125.7730	0.000	1	125.7730	0.000	1	125.7730	0.000	1	126.4960	7.674	3	123.5448	39.955	4	123.5448	39.955	4
610	770	818	0:SP3_SP2_SP2	B	B	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:B-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BC[5]Cl2)	C[5](N[5]C[6a]C[5])2(BCl2B)	B(C[5]N[5]2)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BC[5]Cl2)	C[5](N[5]C[6a]C[5])2(BCl2B){2|H<1>,4|C<3>}	129.5560	0.000	1	126.8575	14.564	2	126.8575	14.564	2	126.4960	7.674	3	123.5448	39.955	4	123.5448	39.955	4
610	770	818	0:SP3_SP2_SP2	B	B	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:B-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BC[5]Cl2)	C[5](N[5]C[6a]C[5])2(BCl2B)	B(C[5]N[5]2)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BC[5]Cl2)	C[5](N[5]C[6a]C[5])2(BCl2B){4|C<3>,4|H<1>}	124.1590	0.000	1	126.8575	14.564	2	126.8575	14.564	2	126.4960	7.674	3	123.5448	39.955	4	123.5448	39.955	4
610	770	818	0:SP3_SP2_SP2	B	B	C[5]	3:3:1:1:	4:1:1:	3:4:4:	C[5]-3:B-3:Br-1:Br-1:	B-4:Br-1:Br-1:	N[5]-3:C[5]-4:B-4:	B(C[5]C[5]N[5])(BBr2)(Br)2	B(BC[5]Br2)(Br)2	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B)	B(C[5]C[5]N[5])(BBr2)(Br)2	B(BC[5]Br2)(Br)2	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B){2|Si<4>,1|O<2>,2|C<3>}	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	123.5448	39.955	4	123.5448	39.955	4
610	770	924	0:SP3_SP-NON_SP2	B	B	Br	3:3:1:1:	3:3:4:	4:	C[5]-3:B-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[5]N[5]2)(BC[6a]2)(Br)2	B(C[6a]C[6a]2)2(BC[5]Br2)	Br(BC[5]BrB)	B(C[5]N[5]2)(BC[6a]2)(Br)2	B(C[6a]C[6a]2)2(BC[5]Br2)	Br(BC[5]BrB)	106.3858	10.959	2	106.3858	120.100	2	106.3858	120.100	2	106.3858	120.100	2	101.5257	171.588	5	101.5257	171.588	5
610	770	924	0:SP3_SP-NON_SP2	B	B	Br	3:3:1:1:	4:1:1:	4:	C[5]-3:B-3:Br-1:Br-1:	B-4:Br-1:Br-1:	B-4:	B(C[5]C[5]N[5])(BBr2)(Br)2	B(BC[5]Br2)(Br)2	Br(BC[5]BrB)	B(C[5]C[5]N[5])(BBr2)(Br)2	B(BC[5]Br2)(Br)2	Br(BC[5]BrB)	105.3128	13.828	2	105.3128	191.226	2	105.3128	191.226	2	105.3128	191.226	2	101.5257	171.588	5	101.5257	171.588	5
610	770	924	0:SP3_SP-NON_SP2	B	B	Br	3:3:4:1:	3:4:1:	4:	C[6a]-3:B-3:P-4:Br-1:	C[6a]-3:B-4:Br-1:	B-4:	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	B(C[6a]C[6a]2)(BC[6a]BrP)(Br)	Br(BC[6a]BP)	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	B(C[6a]C[6a]2)(BC[6a]BrP)(Br)	Br(BC[6a]BP)	84.2312	0.000	1	84.2312	0.000	1	84.2312	0.000	1	84.2312	0.000	1	101.5257	171.588	5	101.5257	171.588	5
610	770	944	0:SP3_SP-NON_SP2	B	B	I	4:3:1:1:	3:3:4:	4:	P-4:B-3:I-1:I-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(PC[6]2C)(BC[6a]2)(I)2	B(C[6a]C[6a]2)2(BIIP)	I(BBIP)	B(PC[6]2C)(BC[6a]2)(I)2	B(C[6a]C[6a]2)2(BIIP)	I(BBIP)	110.7335	11.503	2	110.7335	132.308	2	110.7335	132.308	2	110.7335	132.308	2	110.7335	132.308	2	110.7335	132.308	2
610	770	983	0:SP3_SP1_SP2	B	B	C	3:3:3:2:	4:1:1:	4:1:	B-3:B-3:B-3:C-2:	B-4:Cl-1:Cl-1:	B-4:O-1:	B(BCl2)3(CO)	B(BBBC)(Cl)2	C(BB3)(O)	B(BCl2)3(CO)	B(BBBC)(Cl)2	C(BB3)(O)	107.3275	0.006	2	107.3275	0.000	2	107.3275	0.000	2	109.0526	1.434	8	109.0526	1.434	8	109.0526	1.434	8
610	770	983	0:SP3_SP1_SP2	B	B	C	3:3:3:2:	4:1:1:	4:1:	B-3:B-3:B-3:C-2:	B-4:F-1:F-1:	B-4:O-1:	B(BFF)3(CO)	B(BBBC)(F)2	C(BB3)(O)	B(BFF)3(CO)	B(BBBC)(F)2	C(BB3)(O)	109.6277	0.648	6	109.6277	0.420	6	109.6277	0.420	6	109.0526	1.434	8	109.0526	1.434	8	109.0526	1.434	8
610	770	992	0:SP3_SP2_SP3	B	B	P	3:3:4:1:	3:4:1:	4:4:4:4:	C[6a]-3:B-3:P-4:Br-1:	C[6a]-3:B-4:Br-1:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	B(C[6a]C[6a]2)(BC[6a]BrP)(Br)	P(BC[6a]BrB)(CH3)3	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	B(C[6a]C[6a]2)(BC[6a]BrP)(Br)	P(BC[6a]BrB)(CH3)3	121.4530	0.000	1	121.4530	0.000	1	121.4530	0.000	1	120.1157	1.666	3	117.2586	12.739	7	117.2586	12.739	7
610	770	992	0:SP3_SP2_SP3	B	B	P	3:3:4:1:	3:4:1:	4:4:4:4:	C[6a]-3:B-3:P-4:Cl-1:	C[6a]-3:B-4:Cl-1:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	P(BC[6a]ClB)(CCHH)3	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	P(BC[6a]ClB)(CCHH)3	118.8770	0.000	1	118.8770	0.000	1	119.4470	0.650	2	120.1157	1.666	3	117.2586	12.739	7	117.2586	12.739	7
610	770	992	0:SP3_SP2_SP3	B	B	P	3:3:4:1:	3:4:1:	4:4:4:4:	C[6a]-3:B-3:P-4:Cl-1:	C[6a]-3:B-4:Cl-1:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	P(BC[6a]ClB)(CH3)3	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	P(BC[6a]ClB)(CH3)3	120.0170	0.000	1	120.0170	0.000	1	119.4470	0.650	2	120.1157	1.666	3	117.2586	12.739	7	117.2586	12.739	7
610	770	992	0:SP3_SP2_SP3	B	B	P	3:4:4:1:	4:4:1:	4:4:4:4:	B-3:C-4:P-4:Cl-1:	B-4:C-4:Cl-1:	B-4:C-4:C-4:C-4:	B(BClC)(CC3)(PC3)(Cl)	B(BClCP)(CC3)(Cl)	P(BClBC)(CCHH)3	B(BClC)(CC3)(PC3)(Cl)	B(BClCP)(CC3)(Cl)	P(BClBC)(CCHH)3	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	117.2586	12.739	7	117.2586	12.739	7
610	770	992	0:SP3_SP2_SP3	B	B	P	4:3:1:1:	3:3:4:	4:4:4:4:	P-4:B-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6]-4:C[6]-4:B-4:C-4:	B(PC[6]2C)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BCl2P)	P(C[6]C[6]2H)2(BCl2B)(CH3)	B(PC[6]2C)(BC[6a]2)(Cl)2	B(C[6a]C[6a]2)2(BCl2P)	P(C[6]C[6]2H)2(BCl2B)(CH3)	116.5560	0.045	2	116.5560	0.002	2	116.5560	0.002	2	116.7000	0.063	3	117.2586	12.739	7	117.2586	12.739	7
610	770	992	0:SP3_SP2_SP3	B	B	P	4:3:1:1:	3:3:4:	4:4:4:4:	P-4:B-3:I-1:I-1:	C[6a]-3:C[6a]-3:B-4:	C[6]-4:C[6]-4:B-4:C-4:	B(PC[6]2C)(BC[6a]2)(I)2	B(C[6a]C[6a]2)2(BIIP)	P(C[6]C[6]2H)2(BBII)(CH3)	B(PC[6]2C)(BC[6a]2)(I)2	B(C[6a]C[6a]2)2(BIIP)	P(C[6]C[6]2H)2(BBII)(CH3)	116.9880	0.000	1	116.9880	0.000	1	116.9880	0.000	1	116.7000	0.063	3	117.2586	12.739	7	117.2586	12.739	7
610	778	930	0:SP3_SP2_SPD5	B	C[3x3,4,3x5,14x6]	C	5:3:3:3:	6:6:6:6:4:	4:3:1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:B-4:	B-4:C-3:H-1:	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(BC[6a]2C)	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(BC[6a]2C){1|B<6>,1|P<4>,5|H<1>}	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	109.0580	0.564	2	109.0580	0.318	2	109.0580	0.318	2	109.0580	0.318	2	109.0580	0.318	2	109.0580	0.318	2
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(Cl)4	Cl(BCl3)	Cl(BCl3)	B(Cl)4	Cl(BCl3)	Cl(BCl3)	109.4704	0.810	52	109.4704	0.656	52	109.4704	0.656	52	109.4704	0.656	52	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(C[5]C[5]N[5])(Cl)3	Cl(BC[5]Cl2)	Cl(BC[5]Cl2)	B(C[5]C[5]N[5])(Cl)3	Cl(BC[5]Cl2)	Cl(BC[5]Cl2)	109.0730	0.985	6	109.0730	0.970	6	108.3901	3.391	21	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(C[5]N[5]2)(Cl)3	Cl(BC[5]Cl2)	Cl(BC[5]Cl2)	B(C[5]N[5]2)(Cl)3	Cl(BC[5]Cl2)	Cl(BC[5]Cl2)	108.1169	2.054	15	108.1169	4.217	15	108.3901	3.391	21	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	C[6,6]-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(C[6,6]C[3x6]N[6,6])(Cl)3	Cl(BC[6,6]Cl2)	Cl(BC[6,6]Cl2)	B(C[6,6]C[3x6]N[6,6])(Cl)3	Cl(BC[6,6]Cl2)	Cl(BC[6,6]Cl2)	108.2103	3.154	6	108.2103	9.947	6	108.2103	9.947	6	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	C[6]-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(C[6]N[6]2)(Cl)3	Cl(BC[6]Cl2)	Cl(BC[6]Cl2)	B(C[6]N[6]2)(Cl)3	Cl(BC[6]Cl2)	Cl(BC[6]Cl2)	108.5723	2.552	3	108.5723	6.513	3	108.5723	6.513	3	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(C[6a]C[6a]2)(Cl)3	Cl(BC[6a]Cl2)	Cl(BC[6a]Cl2)	B(C[6a]C[6a]2)(Cl)3	Cl(BC[6a]Cl2)	Cl(BC[6a]Cl2)	107.4523	1.514	6	107.4523	2.292	6	107.4523	2.292	6	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:H-1:	B-4:	B-4:	B(C[6a]C[6a]2)(Cl)2(H)	Cl(BC[6a]ClH)	Cl(BC[6a]ClH)	B(C[6a]C[6a]2)(Cl)2(H)	Cl(BC[6a]ClH)	Cl(BC[6a]ClH)	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	N[5]-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(N[5]C[5,6a]Se[5])(Cl)3	Cl(BN[5]Cl2)	Cl(BN[5]Cl2)	B(N[5]C[5,6a]Se[5])(Cl)3	Cl(BN[5]Cl2)	Cl(BN[5]Cl2)	110.9756	0.886	5	110.9756	0.785	5	110.5252	1.104	8	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	N[5]-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(N[5]C[5]2)(Cl)3	Cl(BN[5]Cl2)	Cl(BN[5]Cl2)	B(N[5]C[5]2)(Cl)3	Cl(BN[5]Cl2)	Cl(BN[5]Cl2)	109.7747	0.971	3	109.7747	0.944	3	110.5252	1.104	8	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	N[6]-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(N[6]C[6,6a]2)(Cl)3	Cl(BN[6]Cl2)	Cl(BN[6]Cl2)	B(N[6]C[6,6a]2)(Cl)3	Cl(BN[6]Cl2)	Cl(BN[6]Cl2)	108.5647	3.962	3	108.5647	15.701	3	109.2578	5.894	9	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	N[6]-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(N[6]C[6]2)(Cl)3	Cl(BN[6]Cl2)	Cl(BN[6]Cl2)	B(N[6]C[6]2)(Cl)3	Cl(BN[6]Cl2)	Cl(BN[6]Cl2)	109.6043	1.649	6	109.6043	2.718	6	109.2578	5.894	9	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:1:1:1:	4:	4:	O-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(OCC)(Cl)3	Cl(BCl2O)	Cl(BCl2O)	B(OCC)(Cl)3	Cl(BCl2O)	Cl(BCl2O)	111.0153	0.793	3	111.0153	0.629	3	111.0153	0.629	3	108.8627	4.554	57	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:2:1:1:	4:	4:	C[5]-3:O-2:Cl-1:Cl-1:	B-4:	B-4:	B(C[5]N[5]2)(OS)(Cl)2	Cl(BC[5]ClO)	Cl(BC[5]ClO)	B(C[5]N[5]2)(OS)(Cl)2	Cl(BC[5]ClO)	Cl(BC[5]ClO)	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:3:1:1:	4:	4:	C[5]-3:B-3:Cl-1:Cl-1:	B-4:	B-4:	B(C[5]N[5]2)(BC[6a]2)(Cl)2	Cl(BC[5]ClB)	Cl(BC[5]ClB)	B(C[5]N[5]2)(BC[6a]2)(Cl)2	Cl(BC[5]ClB)	Cl(BC[5]ClB)	103.8775	0.579	2	103.8775	0.335	2	103.8775	0.335	2	107.4553	11.078	17	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:3:1:1:	4:	4:	C[5]-3:N-3:Cl-1:Cl-1:	B-4:	B-4:	B(C[5]C[5]N[5])(NSi2)(Cl)2	Cl(BC[5]ClN)	Cl(BC[5]ClN)	B(C[5]C[5]N[5])(NSi2)(Cl)2	Cl(BC[5]ClN)	Cl(BC[5]ClN)	105.9250	0.000	1	105.9250	0.000	1	105.7220	0.082	2	107.4553	11.078	17	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:3:1:1:	4:	4:	C[5]-3:N-3:Cl-1:Cl-1:	B-4:	B-4:	B(C[5]N[5]2)(NC[6a]2)(Cl)2	Cl(BC[5]ClN)	Cl(BC[5]ClN)	B(C[5]N[5]2)(NC[6a]2)(Cl)2	Cl(BC[5]ClN)	Cl(BC[5]ClN)	105.5190	0.000	1	105.5190	0.000	1	105.7220	0.082	2	107.4553	11.078	17	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:3:1:1:	4:	4:	C[6a]-3:C-3:Cl-1:Cl-1:	B-4:	B-4:	B(C[6a]C[6a]2)(CNN)(Cl)2	Cl(BC[6a]ClC)	Cl(BC[6a]ClC)	B(C[6a]C[6a]2)(CNN)(Cl)2	Cl(BC[6a]ClC)	Cl(BC[6a]ClC)	102.5420	1.649	2	102.5420	2.719	2	102.5420	2.719	2	107.4553	11.078	17	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:3:1:1:	4:	4:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	B-4:	B-4:	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(BC[6a]C[5]Cl)	Cl(BC[6a]C[5]Cl)	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(BC[6a]C[5]Cl)	Cl(BC[6a]C[5]Cl)	108.2465	0.496	2	108.2465	0.246	2	108.2465	0.246	2	107.4553	11.078	17	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)2	Cl(BC[6a]2Cl)	Cl(BC[6a]2Cl)	B(C[6a]C[6a]2)2(Cl)2	Cl(BC[6a]2Cl)	Cl(BC[6a]2Cl)	106.9265	1.011	4	106.9265	1.023	4	106.9265	1.023	4	107.4553	11.078	17	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	B-4:	B-4:	B(N[6]C[6,6a]2)2(Cl)2	Cl(BN[6]2Cl)	Cl(BN[6]2Cl)	B(N[6]C[6,6a]2)2(Cl)2	Cl(BN[6]2Cl)	Cl(BN[6]2Cl)	111.3950	0.102	2	111.3950	0.010	2	111.3950	0.010	2	107.4553	11.078	17	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	3:3:1:1:	4:	4:	S-3:S-3:Cl-1:Cl-1:	B-4:	B-4:	B(SRuC)2(Cl)2	Cl(BClSS)	Cl(BClSS)	B(SRuC)2(Cl)2	Cl(BClSS)	Cl(BClSS)	111.8227	0.356	3	111.8227	0.127	3	111.8227	0.127	3	107.4553	11.078	17	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:1:1:1:	4:	4:	N-4:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(NC[6a]HH)(Cl)3	Cl(BCl2N)	Cl(BCl2N)	B(NC[6a]HH)(Cl)3	Cl(BCl2N)	Cl(BCl2N)	111.0950	0.291	3	111.0950	0.085	3	111.0950	0.085	3	110.9876	1.324	27	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:1:1:1:	4:	4:	N[5]-4:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(N[5]C[5]2Fe)(Cl)3	Cl(BN[5]Cl2)	Cl(BN[5]Cl2)	B(N[5]C[5]2Fe)(Cl)3	Cl(BN[5]Cl2)	Cl(BN[5]Cl2)	110.3133	0.929	3	110.3133	0.863	3	110.3133	0.863	3	110.9876	1.324	27	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(PC3)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	B(PC3)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	111.2687	0.672	6	111.2687	0.452	6	111.0686	1.550	21	110.9876	1.324	27	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(PC[4]CC)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	B(PC[4]CC)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	109.1020	1.578	3	109.1020	2.489	3	111.0686	1.550	21	110.9876	1.324	27	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(PC[6a]2C)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	B(PC[6a]2C)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	111.6392	1.349	6	111.6392	1.820	6	111.0686	1.550	21	110.9876	1.324	27	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(PC[6a]3)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	B(PC[6a]3)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	111.0290	0.281	3	111.0290	0.079	3	111.0686	1.550	21	110.9876	1.324	27	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	B-4:	B(PC[6a]CC)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	B(PC[6a]CC)(Cl)3	Cl(BCl2P)	Cl(BCl2P)	111.5337	0.170	3	111.5337	0.029	3	111.0686	1.550	21	110.9876	1.324	27	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:2:1:1:	4:	4:	P-4:Cl-2:Cl-1:Cl-1:	B-4:	B-4:	B(PC[6a]2C)(ClAl)(Cl)2	Cl(BCl2P)	Cl(BCl2P)	B(PC[6a]2C)(ClAl)(Cl)2	Cl(BCl2P)	Cl(BCl2P)	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:3:1:1:	4:	4:	B-4:S-3:Cl-1:Cl-1:	B-4:	B-4:	B(BCl2S)(SCC)(Cl)2	Cl(BClBS)	Cl(BClBS)	B(BCl2S)(SCC)(Cl)2	Cl(BClBS)	Cl(BClBS)	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	107.1970	2.788	4	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:3:1:1:	4:	4:	P-4:B-3:Cl-1:Cl-1:	B-4:	B-4:	B(PC[6]2C)(BC[6a]2)(Cl)2	Cl(BClBP)	Cl(BClBP)	B(PC[6]2C)(BC[6a]2)(Cl)2	Cl(BClBP)	Cl(BClBP)	105.8555	0.057	2	105.8555	0.003	2	105.8555	0.003	2	107.1970	2.788	4	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:3:1:1:	4:	4:	P-4:C[6a]-3:Cl-1:Cl-1:	B-4:	B-4:	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	Cl(BC[6a]ClP)	Cl(BC[6a]ClP)	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	Cl(BC[6a]ClP)	Cl(BC[6a]ClP)	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	107.1970	2.788	4	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:4:1:1:	4:	4:	B-4:P-4:Cl-1:Cl-1:	B-4:	B-4:	B(BCl2P)(PC3)(Cl)2	Cl(BClBP)	Cl(BClBP)	B(BCl2P)(PC3)(Cl)2	Cl(BClBP)	Cl(BClBP)	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	111.1670	7.296	2	109.2877	4.364	161	109.2877	4.364	161
610	790	790	0:SP3_SP-NON_SP-NON	B	Cl	Cl	4:4:1:1:	4:	4:	N-4:N-4:Cl-1:Cl-1:	B-4:	B-4:	B(NCHH)2(Cl)2	Cl(BClNN)	Cl(BClNN)	B(NCHH)2(Cl)2	Cl(BClNN)	Cl(BClNN)	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	111.1670	7.296	2	109.2877	4.364	161	109.2877	4.364	161
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[5]C)2(BCl3)	B(C[5]N[5]2)(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[5]C)2(BCl3){2|C<4>}	111.3648	3.812	6	111.0897	15.207	9	110.8118	10.979	15	110.8118	10.979	15	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[5]C)2(BCl3)	B(C[5]N[5]2)(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[5]C)2(BCl3){2|H<1>}	110.5393	4.881	3	111.0897	15.207	9	110.8118	10.979	15	110.8118	10.979	15	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[6a]C[5])2(BCl3)	B(C[5]N[5]2)(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[6a]C[5])2(BCl3){2|H<1>,4|C<3>}	110.3950	2.462	6	110.3950	6.063	6	110.8118	10.979	15	110.8118	10.979	15	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:1:1:1:	4:	3:4:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	B-4:	N[5]-3:C[5]-4:B-4:	B(C[5]C[5]N[5])(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3)	B(C[5]C[5]N[5])(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3){2|Si<4>,1|O<2>,2|C<3>}	109.4183	7.532	3	109.4183	56.724	3	109.7988	46.014	6	109.7988	46.014	6	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:1:1:1:	4:	3:4:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	B-4:	N[5]-3:C[5]-4:B-4:	B(C[5]C[5]N[5])(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3)	B(C[5]C[5]N[5])(Cl)3	Cl(BC[5]Cl2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3){2|C<3>,2|C<4>,2|H<1>}	110.1793	7.608	3	110.1793	57.876	3	109.7988	46.014	6	109.7988	46.014	6	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:2:1:1:	4:	3:3:4:	C[5]-3:O-2:Cl-1:Cl-1:	B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(OS)(Cl)2	Cl(BC[5]ClO)	C[5](N[5]C[6a]C[5])2(BCl2O)	B(C[5]N[5]2)(OS)(Cl)2	Cl(BC[5]ClO)	C[5](N[5]C[6a]C[5])2(BCl2O){2|H<1>,4|C<3>}	109.9090	0.670	2	109.9090	0.449	2	109.9090	0.449	2	109.9090	0.449	2	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:3:1:1:	4:	3:3:4:	C[5]-3:B-3:Cl-1:Cl-1:	B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(BC[6a]2)(Cl)2	Cl(BC[5]ClB)	C[5](N[5]C[6a]C[5])2(BCl2B)	B(C[5]N[5]2)(BC[6a]2)(Cl)2	Cl(BC[5]ClB)	C[5](N[5]C[6a]C[5])2(BCl2B){2|H<1>,4|C<3>}	104.0359	6.387	2	105.4895	23.412	4	105.4895	23.412	4	105.9823	15.209	6	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:3:1:1:	4:	3:3:4:	C[5]-3:B-3:Cl-1:Cl-1:	B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(BC[6a]2)(Cl)2	Cl(BC[5]ClB)	C[5](N[5]C[6a]C[5])2(BCl2B)	B(C[5]N[5]2)(BC[6a]2)(Cl)2	Cl(BC[5]ClB)	C[5](N[5]C[6a]C[5])2(BCl2B){4|C<3>,4|H<1>}	106.9430	4.582	2	105.4895	23.412	4	105.4895	23.412	4	105.9823	15.209	6	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:3:1:1:	4:	3:3:4:	C[5]-3:N-3:Cl-1:Cl-1:	B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(NC[6a]2)(Cl)2	Cl(BC[5]ClN)	C[5](N[5]C[6a]C[5])2(BCl2N)	B(C[5]N[5]2)(NC[6a]2)(Cl)2	Cl(BC[5]ClN)	C[5](N[5]C[6a]C[5])2(BCl2N){2|H<1>,4|C<3>}	106.9680	1.701	2	106.9680	2.894	2	106.9680	2.894	2	105.9823	15.209	6	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:3:1:1:	4:	3:4:4:	C[5]-3:N-3:Cl-1:Cl-1:	B-4:	N[5]-3:C[5]-4:B-4:	B(C[5]C[5]N[5])(NSi2)(Cl)2	Cl(BC[5]ClN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N)	B(C[5]C[5]N[5])(NSi2)(Cl)2	Cl(BC[5]ClN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N){2|C<3>,2|C<4>,2|H<1>}	103.0883	10.728	2	103.0883	115.086	2	103.0883	115.086	2	103.0883	115.086	2	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:3:1:1:	4:	4:3:3:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	B-4:	B-4:N[5]-3:N[5]-3:	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(BC[6a]C[5]Cl)	C[5](BC[6a]Cl2)(N[5]C[5]C)2	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(BC[6a]C[5]Cl)	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	106.2050	0.450	2	106.4170	0.131	4	106.4170	0.131	4	106.4170	0.131	4	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:3:1:1:	4:	4:3:3:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	B-4:	B-4:N[5]-3:N[5]-3:	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(BC[6a]C[5]Cl)	C[5](BC[6a]Cl2)(N[5]C[5]C)2	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(BC[6a]C[5]Cl)	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|H<1>}	106.6290	0.110	2	106.4170	0.131	4	106.4170	0.131	4	106.4170	0.131	4	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:4:1:1:	4:	3:3:4:	C[5]-3:C-4:Cl-1:H-1:	B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(CCCH)(Cl)(H)	Cl(BC[5]CH)	C[5](N[5]C[6a]C[5])2(BClCH)	B(C[5]N[5]2)(CCCH)(Cl)(H)	Cl(BC[5]CH)	C[5](N[5]C[6a]C[5])2(BClCH){2|H<1>,4|C<3>}	107.4280	1.546	2	107.4280	2.389	2	107.4280	2.389	2	107.8477	1.723	3	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:4:1:1:	4:	3:3:4:	C[5]-3:N-4:Cl-1:H-1:	B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(NBHH)(Cl)(H)	Cl(BC[5]HN)	C[5](N[5]C[5]C)2(BClHN)	B(C[5]N[5]2)(NBHH)(Cl)(H)	Cl(BC[5]HN)	C[5](N[5]C[5]C)2(BClHN){2|C<4>}	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	107.8477	1.723	3	108.6819	20.824	39	108.6819	20.824	39
610	790	818	0:SP3_SP-NON_SP2	B	Cl	C[5]	3:4:4:1:	4:	3:3:4:	C[5]-3:C[6]-4:C[6]-4:Cl-1:	B-4:	N[5,5]-3:N[5,5]-3:B-4:	B(C[5]N[5,5]2)(C[6]C[6]2H)2(Cl)	Cl(BC[5]C[6]2)	C[5](N[5,5]C[5,5]C[5])2(BC[6]2Cl)	B(C[5]N[5,5]2)(C[6]C[6]2H)2(Cl)	Cl(BC[5]C[6]2)	C[5](N[5,5]C[5,5]C[5])2(BC[6]2Cl){2|H<1>,2|O<2>,4|C<4>}	106.5250	0.000	1	106.5250	0.000	1	106.5250	0.000	1	106.5250	0.000	1	108.6819	20.824	39	108.6819	20.824	39
610	790	856	0:SP3_SP-NON_SP2	B	Cl	N[6]	3:1:1:1:	4:	3:3:4:	N[6]-3:Cl-1:Cl-1:Cl-1:	B-4:	C[6,6a]-3:C[6,6a]-3:B-4:	B(N[6]C[6,6a]2)(Cl)3	Cl(BN[6]Cl2)	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3)	B(N[6]C[6,6a]2)(Cl)3	Cl(BN[6]Cl2)	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3){2|H<1>,5|C<3>}	110.3790	1.843	3	110.3790	3.398	3	110.3790	3.398	3	109.6928	3.054	9	107.9694	15.654	26	107.9694	15.654	26
610	790	856	0:SP3_SP-NON_SP2	B	Cl	N[6]	3:1:1:1:	4:	3:3:4:	N[6]-3:Cl-1:Cl-1:Cl-1:	B-4:	C[6]-3:C[6]-3:B-4:	B(N[6]C[6]2)(Cl)3	Cl(BN[6]Cl2)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3)	B(N[6]C[6]2)(Cl)3	Cl(BN[6]Cl2)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3){1|C<3>,2|H<1>}	109.3497	1.762	6	109.3497	3.104	6	109.3497	3.104	6	109.6928	3.054	9	107.9694	15.654	26	107.9694	15.654	26
610	790	856	0:SP3_SP-NON_SP2	B	Cl	N[6]	3:3:1:1:	4:	3:3:4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	B-4:	C[6,6a]-3:C[6,6a]-3:B-4:	B(N[6]C[6,6a]2)2(Cl)2	Cl(BN[6]2Cl)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2)	B(N[6]C[6,6a]2)2(Cl)2	Cl(BN[6]2Cl)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2){2|H<1>,5|C<3>}	109.2166	5.958	8	109.2166	35.496	8	109.2166	35.496	8	109.2166	35.496	8	107.9694	15.654	26	107.9694	15.654	26
610	790	856	0:SP3_SP-NON_SP2	B	Cl	N[6]	3:3:3:1:	4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:Cl-1:	B-4:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	Cl(BC[6a]2N[6])	N[6](BC[6a]2Cl)(C[6]C[6]H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	Cl(BC[6a]2N[6])	N[6](BC[6a]2Cl)(C[6]C[6]H)2{1|C<3>,2|H<1>}	106.0247	0.342	4	106.0247	0.117	4	106.0247	0.117	4	105.3085	0.710	8	107.9694	15.654	26	107.9694	15.654	26
610	790	856	0:SP3_SP-NON_SP2	B	Cl	N[6]	3:3:3:1:	4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	B-4:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	Cl(BC[6a]N[6]C)	N[6](BC[6a]ClC)(C[6]C[6]H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	Cl(BC[6a]N[6]C)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	104.1940	0.000	1	104.1940	0.000	1	104.5923	0.173	4	105.3085	0.710	8	107.9694	15.654	26	107.9694	15.654	26
610	790	856	0:SP3_SP-NON_SP2	B	Cl	N[6]	3:3:3:1:	4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	B-4:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	Cl(BC[6a]N[6]C)	N[6](BC[6a]ClC)(C[6]C[6]H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	Cl(BC[6a]N[6]C)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	104.7250	0.391	3	104.7250	0.153	3	104.5923	0.173	4	105.3085	0.710	8	107.9694	15.654	26	107.9694	15.654	26
610	790	856	0:SP3_SP-NON_SP2	B	Cl	N[6]	3:3:4:1:	4:	4:3:3:	C[6a]-3:N[6]-3:C-4:Cl-1:	B-4:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	Cl(BC[6a]N[6]C)	N[6](BC[6a]ClC)(C[6]C[6]H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	Cl(BC[6a]N[6]C)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	103.7690	0.000	1	103.7690	0.000	1	103.7690	0.000	1	103.7690	0.000	1	107.9694	15.654	26	107.9694	15.654	26
610	790	871	0:SP3_SP-NON_SP3	B	Cl	O	3:1:1:1:	4:	4:4:4:	O-3:Cl-1:Cl-1:Cl-1:	B-4:	B-4:C-4:C-4:	B(OCC)(Cl)3	Cl(BCl2O)	O(BCl3)(CCHH)2	B(OCC)(Cl)3	Cl(BCl2O)	O(BCl3)(CCHH)2	107.8763	0.559	3	107.8763	0.313	3	107.8763	0.313	3	107.8763	0.313	3	107.8763	0.313	3	107.8763	0.313	3
610	790	887	0:SP3_SP-NON_SP3	B	Cl	S	4:3:1:1:	4:	4:4:4:	B-4:S-3:Cl-1:Cl-1:	B-4:	B-4:C-4:C-4:	B(BCl2S)(SCC)(Cl)2	Cl(BClBS)	S(BCl2B)(CH3)2	B(BCl2S)(SCC)(Cl)2	Cl(BClBS)	S(BCl2B)(CH3)2	105.5025	5.096	2	105.5025	25.970	2	105.5025	25.970	2	105.5025	25.970	2	105.5025	25.970	2	105.5025	25.970	2
610	790	892	0:SP3_SP-NON_SP3	B	Cl	N	3:4:1:1:	4:	4:4:1:1:	C[5]-3:N-4:Cl-1:H-1:	B-4:	B-4:B-4:H-1:H-1:	B(C[5]N[5]2)(NBHH)(Cl)(H)	Cl(BC[5]HN)	N(BC[5]ClH)(BC[6a]3)(H)2	B(C[5]N[5]2)(NBHH)(Cl)(H)	Cl(BC[5]HN)	N(BC[5]ClH)(BC[6a]3)(H)2	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	108.0493	2.714	10	108.0493	2.714	10
610	790	892	0:SP3_SP-NON_SP3	B	Cl	N	4:1:1:1:	4:	3:4:1:1:	N-4:Cl-1:Cl-1:Cl-1:	B-4:	C[6a]-3:B-4:H-1:H-1:	B(NC[6a]HH)(Cl)3	Cl(BCl2N)	N(C[6a]C[6a]2)(BCl3)(H)2	B(NC[6a]HH)(Cl)3	Cl(BCl2N)	N(C[6a]C[6a]2)(BCl3)(H)2	107.7887	2.299	3	107.7887	5.287	3	107.7887	5.287	3	107.7887	5.287	3	108.0493	2.714	10	108.0493	2.714	10
610	790	892	0:SP3_SP-NON_SP3	B	Cl	N	4:1:1:1:	4:	4:1:1:1:	N-4:Cl-1:H-1:H-1:	B-4:	B-4:H-1:H-1:H-1:	B(NH3)(Cl)(H)2	Cl(BHHN)	N(BClHH)(H)3	B(NH3)(Cl)(H)2	Cl(BHHN)	N(BClHH)(H)3	106.4880	0.000	1	106.4880	0.000	1	106.4880	0.000	1	106.4880	0.000	1	108.0493	2.714	10	108.0493	2.714	10
610	790	892	0:SP3_SP-NON_SP3	B	Cl	N	4:1:1:1:	4:	4:4:4:4:	N-4:Cl-1:H-1:H-1:	B-4:	B-4:C-4:C-4:C-4:	B(NC3)(Cl)(H)2	Cl(BHHN)	N(BClHH)(CCHH)3	B(NC3)(Cl)(H)2	Cl(BHHN)	N(BClHH)(CCHH)3	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	108.0493	2.714	10	108.0493	2.714	10
610	790	892	0:SP3_SP-NON_SP3	B	Cl	N	4:4:1:1:	4:	4:4:1:1:	N-4:N-4:Cl-1:Cl-1:	B-4:	B-4:C-4:H-1:H-1:	B(NCHH)2(Cl)2	Cl(BClNN)	N(BCl2N)(CH3)(H)2	B(NCHH)2(Cl)2	Cl(BClNN)	N(BCl2N)(CH3)(H)2	108.3585	1.424	4	108.3585	2.029	4	108.3585	2.029	4	108.3585	2.029	4	108.0493	2.714	10	108.0493	2.714	10
610	790	893	0:SP3_SP-NON_SP3	B	Cl	O	3:2:1:1:	4:	4:4:	C[5]-3:O-2:Cl-1:Cl-1:	B-4:	B-4:S-4:	B(C[5]N[5]2)(OS)(Cl)2	Cl(BC[5]ClO)	O(BC[5]Cl2)(SCOO)	B(C[5]N[5]2)(OS)(Cl)2	Cl(BC[5]ClO)	O(BC[5]Cl2)(SCOO)	109.3620	0.059	2	109.3620	0.004	2	109.3620	0.004	2	109.3620	0.004	2	109.3620	0.004	2	109.3620	0.004	2
610	790	902	0:SP3_SP-NON_SP2	B	Cl	C[3]	3:3:3:1:	4:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-3:Cl-1:	B-4:	B-4:C[3]-3:C[3]-3:	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	Cl(BC[6a]2C[3])	C[3](BC[6a]2Cl)(C[3]C[3]N)2	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	Cl(BC[6a]2C[3])	C[3](BC[6a]2Cl)(C[3]C[3]N)2	99.9446	0.565	2	99.9446	0.319	2	99.9446	0.319	2	99.9446	0.319	2	102.6067	21.420	3	102.6067	21.420	3
610	790	902	0:SP3_SP-NON_SP2	B	Cl	C[3]	3:3:3:1:	4:	4:3:4:	C[3]-3:C[6a]-3:C[6a]-3:Cl-1:	B-4:	P[3]-4:C[3]-3:B-4:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	Cl(BC[6a]2C[3])	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Cl)	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	Cl(BC[6a]2C[3])	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Cl){4|C<3>}	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	102.6067	21.420	3	102.6067	21.420	3
610	790	916	0:SP3_SP-NON_SP3	B	Cl	O[5]	3:3:3:1:	4:	4:4:4:	C[6a]-3:C[6a]-3:O[5]-3:Cl-1:	B-4:	C[5]-4:C[5]-4:B-4:	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	Cl(BC[6a]2O[5])	O[5](C[5]C[5]HH)2(BC[6a]2Cl)	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	Cl(BC[6a]2O[5])	O[5](C[5]C[5]HH)2(BC[6a]2Cl){4|H<1>}	104.1390	0.000	1	104.1390	0.000	1	104.1390	0.000	1	104.1390	0.000	1	104.1390	0.000	1	104.1390	0.000	1
610	790	930	0:SP3_SP-NON_SP2	B	Cl	C	3:3:1:1:	4:	4:3:3:	C[6a]-3:C-3:Cl-1:Cl-1:	B-4:	B-4:N-3:N-3:	B(C[6a]C[6a]2)(CNN)(Cl)2	Cl(BC[6a]ClC)	C(BC[6a]Cl2)(NCC)2	B(C[6a]C[6a]2)(CNN)(Cl)2	Cl(BC[6a]ClC)	C(BC[6a]Cl2)(NCC)2	106.4815	11.419	4	106.4815	130.399	4	106.4815	130.399	4	106.4815	130.399	4	108.5308	61.049	8	108.5308	61.049	8
610	790	930	0:SP3_SP-NON_SP2	B	Cl	C	3:3:3:1:	4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	B-4:	B-4:C-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	Cl(BC[6a]N[6]C)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	Cl(BC[6a]N[6]C)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	110.5800	0.850	4	108.5308	61.049	8	108.5308	61.049	8
610	790	930	0:SP3_SP-NON_SP2	B	Cl	C	3:3:3:1:	4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	Cl(BC[6a]N[6]C)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	Cl(BC[6a]N[6]C)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	111.2440	0.875	2	111.2440	0.766	2	110.8353	0.884	3	110.5800	0.850	4	108.5308	61.049	8	108.5308	61.049	8
610	790	930	0:SP3_SP-NON_SP2	B	Cl	C	3:3:3:1:	4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	Cl(BC[6a]N[6]C)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	Cl(BC[6a]N[6]C)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	110.0180	0.000	1	110.0180	0.000	1	110.8353	0.884	3	110.5800	0.850	4	108.5308	61.049	8	108.5308	61.049	8
610	790	951	0:SP3_SP-NON_SP-NON	B	Cl	H	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:H-1:	B-4:	B-4:	B(C[6a]C[6a]2)(Cl)2(H)	Cl(BC[6a]ClH)	H(BC[6a]Cl2)	B(C[6a]C[6a]2)(Cl)2(H)	Cl(BC[6a]ClH)	H(BC[6a]Cl2)	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	106.2329	4.754	9	106.2329	4.754	9
610	790	951	0:SP3_SP-NON_SP-NON	B	Cl	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)(H)	Cl(BC[6a]2H)	H(BC[6a]2Cl)	B(C[6a]C[6a]2)2(Cl)(H)	Cl(BC[6a]2H)	H(BC[6a]2Cl)	104.1930	1.583	2	104.1930	2.504	2	104.1930	2.504	2	104.1930	2.504	2	106.2329	4.754	9	106.2329	4.754	9
610	790	951	0:SP3_SP-NON_SP-NON	B	Cl	H	3:4:1:1:	4:	4:	C[5]-3:C-4:Cl-1:H-1:	B-4:	B-4:	B(C[5]N[5]2)(CCCH)(Cl)(H)	Cl(BC[5]CH)	H(BC[5]ClC)	B(C[5]N[5]2)(CCCH)(Cl)(H)	Cl(BC[5]CH)	H(BC[5]ClC)	105.7300	0.119	2	105.7300	0.014	2	105.7300	0.014	2	105.4697	0.210	3	106.2329	4.754	9	106.2329	4.754	9
610	790	951	0:SP3_SP-NON_SP-NON	B	Cl	H	3:4:1:1:	4:	4:	C[5]-3:N-4:Cl-1:H-1:	B-4:	B-4:	B(C[5]N[5]2)(NBHH)(Cl)(H)	Cl(BC[5]HN)	H(BC[5]ClN)	B(C[5]N[5]2)(NBHH)(Cl)(H)	Cl(BC[5]HN)	H(BC[5]ClN)	104.9490	0.000	1	104.9490	0.000	1	104.9490	0.000	1	105.4697	0.210	3	106.2329	4.754	9	106.2329	4.754	9
610	790	951	0:SP3_SP-NON_SP-NON	B	Cl	H	4:1:1:1:	4:	4:	N-4:Cl-1:H-1:H-1:	B-4:	B-4:	B(NC3)(Cl)(H)2	Cl(BHHN)	H(BClHN)	B(NC3)(Cl)(H)2	Cl(BHHN)	H(BClHN)	109.5540	1.117	2	109.5540	1.248	2	108.7083	2.770	3	108.7083	2.770	3	106.2329	4.754	9	106.2329	4.754	9
610	790	951	0:SP3_SP-NON_SP-NON	B	Cl	H	4:1:1:1:	4:	4:	N-4:Cl-1:H-1:H-1:	B-4:	B-4:	B(NH3)(Cl)(H)2	Cl(BHHN)	H(BClHN)	B(NH3)(Cl)(H)2	Cl(BHHN)	H(BClHN)	107.0170	0.000	1	107.0170	0.000	1	108.7083	2.770	3	108.7083	2.770	3	106.2329	4.754	9	106.2329	4.754	9
610	790	956	0:SP3_SP-NON_SP2	B	Cl	N	3:3:1:1:	4:	3:3:4:	C[5]-3:N-3:Cl-1:Cl-1:	B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[5]N[5]2)(NC[6a]2)(Cl)2	Cl(BC[5]ClN)	N(C[6a]C[6a]2)2(BC[5]Cl2)	B(C[5]N[5]2)(NC[6a]2)(Cl)2	Cl(BC[5]ClN)	N(C[6a]C[6a]2)2(BC[5]Cl2)	110.6805	0.298	2	110.6805	0.089	2	110.6805	0.089	2	110.6805	0.089	2	107.7330	7.425	5	107.7330	7.425	5
610	790	956	0:SP3_SP-NON_SP2	B	Cl	N	3:3:3:1:	4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:Cl-1:	B-4:	C[6]-3:B-4:H-1:	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	Cl(BC[6a]2N)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	Cl(BC[6a]2N)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	105.7680	0.572	3	105.7680	0.327	3	105.7680	0.327	3	105.7680	0.327	3	107.7330	7.425	5	107.7330	7.425	5
610	790	956	0:SP3_SP-NON_SP3	B	Cl	N	3:3:1:1:	4:	4:4:4:	C[5]-3:N-3:Cl-1:Cl-1:	B-4:	B-4:Si-4:Si-4:	B(C[5]C[5]N[5])(NSi2)(Cl)2	Cl(BC[5]ClN)	N(BC[5]Cl2)(SiC3)2	B(C[5]C[5]N[5])(NSi2)(Cl)2	Cl(BC[5]ClN)	N(BC[5]Cl2)(SiC3)2	111.4060	0.727	2	111.4060	0.528	2	111.4060	0.528	2	111.4060	0.528	2	111.4060	0.528	2	111.4060	0.528	2
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	3:3:4:1:	4:	4:4:4:4:	C[6a]-3:B-3:P-4:Cl-1:	B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	Cl(BC[6a]BP)	P(BC[6a]ClB)(CCHH)3	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	Cl(BC[6a]BP)	P(BC[6a]ClB)(CCHH)3	102.1780	0.000	1	102.1780	0.000	1	101.4810	0.972	2	101.4810	0.972	2	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	3:3:4:1:	4:	4:4:4:4:	C[6a]-3:B-3:P-4:Cl-1:	B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	Cl(BC[6a]BP)	P(BC[6a]ClB)(CH3)3	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	Cl(BC[6a]BP)	P(BC[6a]ClB)(CH3)3	100.7840	0.000	1	100.7840	0.000	1	101.4810	0.972	2	101.4810	0.972	2	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	3:4:4:1:	4:	4:4:4:4:	B-3:C-4:P-4:Cl-1:	B-4:	B-4:C-4:C-4:C-4:	B(BClC)(CC3)(PC3)(Cl)	Cl(BBCP)	P(BClBC)(CCHH)3	B(BClC)(CC3)(PC3)(Cl)	Cl(BBCP)	P(BClBC)(CCHH)3	101.1130	0.000	1	101.1130	0.000	1	101.1130	0.000	1	101.1130	0.000	1	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:1:1:1:	4:	3:3:3:4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	C[6a]-3:C[6a]-3:C[6a]-3:B-4:	B(PC[6a]3)(Cl)3	Cl(BCl2P)	P(C[6a]C[6a]2)3(BCl3)	B(PC[6a]3)(Cl)3	Cl(BCl2P)	P(C[6a]C[6a]2)3(BCl3)	107.8647	0.043	3	107.8647	0.002	3	107.8647	0.002	3	107.8647	0.002	3	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:1:1:1:	4:	3:3:4:4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	C[6a]-3:C[6a]-3:B-4:C-4:	B(PC[6a]2C)(Cl)3	Cl(BCl2P)	P(C[6a]C[6a]2)2(BCl3)(CHHP)	B(PC[6a]2C)(Cl)3	Cl(BCl2P)	P(C[6a]C[6a]2)2(BCl3)(CHHP)	107.1888	2.461	6	107.1888	6.056	6	107.1888	6.056	6	107.1888	6.056	6	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:1:1:1:	4:	3:4:4:4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	C[6a]-3:B-4:C-4:C-4:	B(PC[6a]CC)(Cl)3	Cl(BCl2P)	P(C[6a]C[6a]2)(BCl3)(CH3)2	B(PC[6a]CC)(Cl)3	Cl(BCl2P)	P(C[6a]C[6a]2)(BCl3)(CH3)2	107.3180	1.471	3	107.3180	2.164	3	107.3180	2.164	3	107.3180	2.164	3	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:1:1:1:	4:	4:3:3:3:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	B-4:C-3:C-3:C-3:	B(PC3)(Cl)3	Cl(BCl2P)	P(BCl3)(CCH)3	B(PC3)(Cl)3	Cl(BCl2P)	P(BCl3)(CCH)3	107.2220	0.766	3	107.2220	0.586	3	107.2220	0.586	3	107.2220	0.586	3	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:1:1:1:	4:	4:4:4:4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	B-4:C-4:C-4:C-4:	B(PC3)(Cl)3	Cl(BCl2P)	P(BCl3)(CCHH)3	B(PC3)(Cl)3	Cl(BCl2P)	P(BCl3)(CCHH)3	107.9873	1.055	3	107.9873	1.114	3	107.9873	1.114	3	108.9173	3.390	6	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:1:1:1:	4:	4:4:4:4:	P-4:Cl-1:Cl-1:Cl-1:	B-4:	C[4]-4:B-4:C-4:C-4:	B(PC[4]CC)(Cl)3	Cl(BCl2P)	P(C[4]C[4,6]B[4]H)(BCl3)(CC3)2	B(PC[4]CC)(Cl)3	Cl(BCl2P)	P(C[4]C[4,6]B[4]H)(BCl3)(CC3)2	109.8473	2.184	3	109.8473	4.768	3	109.8473	4.768	3	108.9173	3.390	6	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:2:1:1:	4:	3:3:4:3:	P-4:Cl-2:Cl-1:Cl-1:	B-4:	C[6a]-3:C[6a]-3:B-4:C-3:	B(PC[6a]2C)(ClAl)(Cl)2	Cl(BCl2P)	P(C[6a]C[6a]2)2(BCl3)(CAlC)	B(PC[6a]2C)(ClAl)(Cl)2	Cl(BCl2P)	P(C[6a]C[6a]2)2(BCl3)(CAlC)	112.9790	3.984	2	112.9790	15.871	2	112.9790	15.871	2	112.9790	15.871	2	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:3:1:1:	4:	3:4:4:4:	P-4:C[6a]-3:Cl-1:Cl-1:	B-4:	C[6a]-3:C[6]-4:C[6]-4:B-4:	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	Cl(BC[6a]ClP)	P(C[6a]C[6a]2)(C[6]C[6]2H)2(BC[6a]Cl2)	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	Cl(BC[6a]ClP)	P(C[6a]C[6a]2)(C[6]C[6]2H)2(BC[6a]Cl2)	105.4855	0.138	2	105.4855	0.019	2	105.4855	0.019	2	105.4855	0.019	2	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:3:1:1:	4:	4:4:4:4:	P-4:B-3:Cl-1:Cl-1:	B-4:	C[6]-4:C[6]-4:B-4:C-4:	B(PC[6]2C)(BC[6a]2)(Cl)2	Cl(BClBP)	P(C[6]C[6]2H)2(BCl2B)(CH3)	B(PC[6]2C)(BC[6a]2)(Cl)2	Cl(BClBP)	P(C[6]C[6]2H)2(BCl2B)(CH3)	105.5883	4.939	4	105.5883	24.397	4	105.5883	24.397	4	105.5883	24.397	4	106.8411	11.626	34	106.8411	11.626	34
610	790	992	0:SP3_SP-NON_SP3	B	Cl	P	4:4:1:1:	4:	4:4:4:4:	B-4:P-4:Cl-1:Cl-1:	B-4:	B-4:C-4:C-4:C-4:	B(BCl2P)(PC3)(Cl)2	Cl(BClBP)	P(BCl2B)(CH3)3	B(BCl2P)(PC3)(Cl)2	Cl(BClBP)	P(BCl2B)(CH3)3	102.6940	0.245	2	102.6940	0.060	2	102.6940	0.060	2	102.6940	0.060	2	106.8411	11.626	34	106.8411	11.626	34
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:1:1:	2:2:4:	2:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:B-4:	N[5a]-2:N[5a]-2:B-4:	B(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH)	B(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH){1|C<4>}	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH){4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH){4|C<3>}	109.4830	0.000	1	109.4830	0.000	1	108.8314	4.187	8	108.8314	4.187	8	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH){1|C<4>,1|H<1>}	111.1190	0.000	1	111.1190	0.000	1	108.8314	4.187	8	108.8314	4.187	8	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	110.1150	0.516	2	110.1150	0.266	2	108.8314	4.187	8	108.8314	4.187	8	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH){1|H<1>}	109.1560	0.000	1	109.1560	0.000	1	108.8314	4.187	8	108.8314	4.187	8	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH){1|N<3>}	106.8877	2.079	3	106.8877	4.323	3	108.8314	4.187	8	108.8314	4.187	8	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a,6a]-3:N[5a]-2:B-4:	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	112.1900	0.000	1	112.1900	0.000	1	110.1001	2.561	16	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a,6a]-3:N[5a]-2:B-4:	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|F<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|F<1>,2|C<3>}	110.7182	1.308	6	109.9607	2.411	15	110.1001	2.561	16	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a,6a]-3:N[5a]-2:B-4:	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	109.4558	1.560	9	109.9607	2.411	15	110.1001	2.561	16	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H)	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H){4|C<3>}	109.5410	1.123	2	109.5410	1.261	2	109.5410	1.261	2	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	108.7257	0.045	3	109.8861	1.622	43	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<4>}	109.5300	1.112	3	109.8861	1.622	43	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	109.7542	1.510	21	109.8861	1.622	43	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	110.3436	0.890	16	109.8861	1.622	43	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	109.6270	0.880	2	109.6270	0.774	2	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	108.3665	0.572	2	108.3665	0.327	2	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	109.7250	3.545	2	109.7250	12.570	2	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){2|Br<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){2|Br<1>,2|C<3>}	110.3207	0.425	3	110.3207	0.180	3	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	110.3203	1.716	3	110.2075	2.807	37	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<3>}	111.4697	0.039	3	110.2075	2.807	37	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<4>}	112.2650	0.016	2	110.2075	2.807	37	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	110.3494	1.413	16	110.2075	2.807	37	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	110.7759	0.885	7	110.2075	2.807	37	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){2|H<1>}	107.7923	1.389	6	110.2075	2.807	37	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H){1|H<1>}	109.9657	0.333	3	109.9657	0.111	3	109.9899	2.106	92	109.9978	2.128	110	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:B-4:C[5a]-3:	C[5a,6]-3:B-4:C[5a]-3:	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	105.6615	4.808	2	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	3:4:3:	3:4:3:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a,6]-3:B-4:C[5a]-3:	C[5a,6]-3:B-4:C[5a]-3:	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	104.1110	0.000	1	104.1110	0.000	1	104.1110	0.000	1	105.6615	4.808	2	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:1:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	B-4:C[5a]-3:N[5a]-2:	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	105.8260	0.000	1	105.8260	0.000	1	105.8260	0.000	1	105.8260	0.000	1	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:2:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6]-3:C[5a]-3:B-4:	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Ir<7>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Ir<7>,1|H<1>,2|C<3>}	111.6640	0.000	1	111.6640	0.000	1	111.1870	0.455	2	112.8738	2.110	6	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:2:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6]-3:C[5a]-3:B-4:	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Rh<7>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Rh<7>,1|H<1>,2|C<3>}	110.7100	0.000	1	110.7100	0.000	1	111.1870	0.455	2	112.8738	2.110	6	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:2:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6a]-3:C[5a]-3:B-4:	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Ir<7>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H){1|H<1>,2|C<3>}	113.8340	1.213	2	113.8340	1.472	2	113.7173	0.519	4	112.8738	2.110	6	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:2:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6a]-3:C[5a]-3:B-4:	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Rh<7>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H){1|H<1>,2|C<3>}	113.6005	0.175	2	113.6005	0.031	2	113.7173	0.519	4	112.8738	2.110	6	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:2:	3:4:3:	3:4:3:	N[5a]-3:N[5a]-3:C[6a]-3:H-2:	C[5a,6]-3:B-4:C[5a]-3:	C[5a,6]-3:B-4:C[5a]-3:	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Rh<7>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Rh<7>,1|H<1>,2|C<3>}	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:3:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])4	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3)	B(N[5a]C[5a]N[5a])4	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3){1|C<3>,1|H<1>}	109.4742	2.303	6	109.4742	5.306	6	109.4742	5.306	6	109.4742	5.306	6	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:3:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[5a]-3:B-4:	B(N[5a]C[5a]2)4	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3)	B(N[5a]C[5a]2)4	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3){1|H<1>}	109.1735	1.128	4	109.1735	1.273	4	109.3063	1.368	18	109.3063	1.368	18	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:3:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:C[5a]-3:B-4:	B(N[5a]C[5a]2)4	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3)	B(N[5a]C[5a]2)4	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3){1|C<4>}	109.3443	1.220	14	109.3443	1.488	14	109.3063	1.368	18	109.3063	1.368	18	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:3:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:C[6a]-3:	B-4:C[5a]-3:N[5a]-2:	B-4:C[5a]-3:N[5a]-2:	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	108.9941	3.024	16	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:3:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:N[5]-3:	B-4:C[5a]-3:N[5a]-2:	B-4:C[5a]-3:N[5a]-2:	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])2	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])2	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	109.5230	1.483	9	109.5230	2.198	9	109.5230	2.198	9	108.9941	3.024	16	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:3:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	B-4:C[5a]-3:N[5a]-2:	B-4:C[5a]-3:N[5a]-2:	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	108.4387	2.067	6	108.4387	4.274	6	108.4387	4.274	6	108.9941	3.024	16	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a]-3:N[5a]-3:N[5a]-3:N[5]-3:	B-4:C[5a]-3:C[5a]-3:	B-4:C[5a]-3:C[5a]-3:	B(N[5a]C[5a]2)3(N[5]C[5]2)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	B(N[5a]C[5a]2)3(N[5]C[5]2)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>}	110.1963	2.522	3	109.8826	4.003	12	109.8826	4.003	12	109.8826	4.003	12	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a]-3:N[5a]-3:N[5a]-3:N[5]-3:	B-4:C[5a]-3:C[5a]-3:	B-4:C[5a]-3:C[5a]-3:	B(N[5a]C[5a]2)3(N[5]C[5]2)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	B(N[5a]C[5a]2)3(N[5]C[5]2)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	109.7780	1.966	9	109.8826	4.003	12	109.8826	4.003	12	109.8826	4.003	12	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:4:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C)	B(N[5a]C[5a]N[5a])3(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	107.3793	1.036	3	107.3793	1.073	3	108.1076	0.946	8	108.1076	0.946	8	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:4:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-2:B-4:	B(N[5a]C[5a]N[5a])3(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C)	B(N[5a]C[5a]N[5a])3(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	108.5446	0.695	5	108.5446	0.483	5	108.1076	0.946	8	108.1076	0.946	8	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:3:4:	4:3:2:	4:3:2:	N[5a]-3:N[5a]-3:N[5a]-3:C[5]-4:	B-4:C[5a]-3:N[5a]-2:	B-4:C[5a]-3:N[5a]-2:	B(N[5a]C[5a]N[5a])3(C[5]C[5]2Fe)	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])3(C[5]C[5]2Fe)	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	108.0047	1.959	6	108.0047	3.837	6	108.0047	3.837	6	108.0047	3.837	6	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6]-3:C[5a]-3:B-4:	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Li<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Li<4>,1|H<1>,2|C<3>}	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	109.6227	3.237	199	109.6227	3.237	199
610	813	813	0:SP3_SP2_SP2	B	N[5a]	N[5a]	3:3:4:2:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:C-4:H-2:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6]-3:C[5a]-3:B-4:	B(N[5a]C[5a,6]C[5a])2(CH3)(HRh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	B(N[5a]C[5a,6]C[5a])2(CH3)(HRh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Rh<7>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Rh<7>,1|H<1>,2|C<3>}	108.2427	0.641	3	108.2427	0.411	3	108.2427	0.411	3	108.2427	0.411	3	109.6227	3.237	199	109.6227	3.237	199
610	813	818	0:SP3_SP2_SP2	B	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5]-3:N[5]-3:B-4:	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH)	C[5](N[5]C[6a]C[5])2(BN[5a]HH)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH){1|C<3>}	C[5](N[5]C[6a]C[5])2(BN[5a]HH){2|H<1>,4|C<3>}	110.3830	0.000	1	110.3830	0.000	1	109.6977	2.236	4	109.6977	2.236	4	109.6977	2.236	4	109.6977	2.236	4
610	813	818	0:SP3_SP2_SP2	B	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5]-3:N[5]-3:B-4:	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH)	C[5](N[5]C[6a]C[5])2(BN[5a]HH)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH){3|C<3>}	C[5](N[5]C[6a]C[5])2(BN[5a]HH){2|H<1>,4|C<3>}	108.0680	0.000	1	108.0680	0.000	1	109.6977	2.236	4	109.6977	2.236	4	109.6977	2.236	4	109.6977	2.236	4
610	813	818	0:SP3_SP2_SP2	B	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5]-3:N[5]-3:B-4:	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH)	C[5](N[5]C[6a]C[5])2(BN[5a]HH)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH){1|C<3>}	C[5](N[5]C[6a]C[5])2(BN[5a]HH){2|H<1>,4|C<3>}	111.4220	0.000	1	111.4220	0.000	1	109.6977	2.236	4	109.6977	2.236	4	109.6977	2.236	4	109.6977	2.236	4
610	813	818	0:SP3_SP2_SP2	B	N[5a]	C[5]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5]-3:N[5]-3:B-4:	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	C[5](N[5]C[6a]C[5])2(BN[5a]HH)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	C[5](N[5]C[6a]C[5])2(BN[5a]HH){2|H<1>,4|C<3>}	108.9180	0.000	1	108.9180	0.000	1	109.6977	2.236	4	109.6977	2.236	4	109.6977	2.236	4	109.6977	2.236	4
610	813	830	0:SP3_SP-NON_SP2	B	N[5a]	F	3:1:1:1:	3:4:4:	4:	N[5a]-3:F-1:F-1:F-1:	C[5a]-3:B[5a]-4:B-4:	B-4:	B(N[5a]B[5a]C[5a])(F)3	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3)	F(BN[5a]FF)	B(N[5a]B[5a]C[5a])(F)3	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3){4|C<3>}	F(BN[5a]FF)	107.9260	1.301	3	107.9260	1.693	3	107.9260	1.693	3	107.9260	1.693	3	108.4396	1.228	7	108.4396	1.228	7
610	813	830	0:SP3_SP-NON_SP2	B	N[5a]	F	3:2:1:1:	3:3:4:	4:	N[5a]-3:O-2:F-1:F-1:	C[5a]-3:C[5a]-3:B-4:	B-4:	B(N[5a]C[5a]2)(OC[6])(F)2	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO)	F(BN[5a]FO)	B(N[5a]C[5a]2)(OC[6])(F)2	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO){2|C<3>,2|H<1>}	F(BN[5a]FO)	108.8247	0.931	4	108.8247	0.867	4	108.8247	0.867	4	108.8247	0.867	4	108.4396	1.228	7	108.4396	1.228	7
610	813	856	0:SP3_SP2_SP2	B	N[5a]	N[6]	3:3:3:3:	3:3:4:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:B-4:	B-4:C[6]-3:C[6]-3:	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6])	N[6](BC[6a]2N[5a])(C[6]C[6]H)2	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6]){2|H<1>,4|C<3>}	N[6](BC[6a]2N[5a])(C[6]C[6]H)2{1|C<3>,2|H<1>}	102.5730	0.000	1	102.5730	0.000	1	102.5730	0.000	1	102.5730	0.000	1	102.5730	0.000	1	102.5730	0.000	1
610	813	893	0:SP3_SP2_SP2	B	N[5a]	O	3:2:1:1:	3:3:4:	3:4:	N[5a]-3:O-2:F-1:F-1:	C[5a]-3:C[5a]-3:B-4:	C[6]-3:B-4:	B(N[5a]C[5a]2)(OC[6])(F)2	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO)	O(C[6]C[6,6a]C[5,6])(BN[5a]FF)	B(N[5a]C[5a]2)(OC[6])(F)2	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])(BN[5a]FF)	111.8035	0.078	2	111.8035	0.006	2	111.8035	0.006	2	111.8035	0.006	2	111.8035	0.006	2	111.8035	0.006	2
610	813	893	0:SP3_SP2_SP3	B	N[5a]	O	3:3:3:2:	2:2:4:	4:4:	C[6a]-3:C[6a]-3:N[5a]-3:O-2:	N[5a]-2:N[5a]-2:B-4:	B-4:P-4:	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	N[5a](N[5a]C[5a])2(BC[6a]2O)	O(BC[6a]2N[5a])(PC[5a]OO)	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	N[5a](N[5a]C[5a])2(BC[6a]2O){2|P<4>}	O(BC[6a]2N[5a])(PC[5a]OO)	104.4860	0.028	2	104.4860	0.001	2	104.4860	0.001	2	104.4860	0.001	2	104.4860	0.001	2	104.4860	0.001	2
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:2:1:1:	3:2:4:	4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH)	H(BN[5a]CH)	B(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH){1|H<1>}	H(BN[5a]CH)	109.2235	3.750	2	109.2235	14.061	2	109.2235	14.061	2	109.2235	14.061	2	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:B-4:	B-4:	B(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH)	H(BN[5a]2H)	B(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH){1|C<4>}	H(BN[5a]2H)	108.8360	0.361	4	108.8360	0.130	4	108.8360	0.130	4	108.8360	0.130	4	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH)	H(BN[5a]C[5]H)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH){1|C<3>}	H(BN[5a]C[5]H)	111.5380	2.314	2	111.5380	5.353	2	109.0078	3.521	8	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH)	H(BN[5a]C[5]H)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH){3|C<3>}	H(BN[5a]C[5]H)	108.4985	0.381	2	108.4985	0.145	2	109.0078	3.521	8	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH)	H(BN[5a]C[5]H)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH){1|C<3>}	H(BN[5a]C[5]H)	108.5265	0.767	2	108.5265	0.589	2	109.0078	3.521	8	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	H(BN[5a]C[5]H)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	H(BN[5a]C[5]H)	107.4680	0.174	2	107.4680	0.030	2	109.0078	3.521	8	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	H(BN[5a]N[5]H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	H(BN[5a]N[5]H)	109.6310	0.560	4	109.6310	0.313	4	108.5832	3.545	6	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH)	H(BN[5a]N[5]H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH){1|H<1>}	H(BN[5a]N[5]H)	106.4875	1.900	2	106.4875	3.610	2	108.5832	3.545	6	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH)	H(BN[5a]2H)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH){4|C<3>}	H(BN[5a]2H)	109.7690	0.061	3	109.7690	0.004	3	108.9562	2.105	29	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH)	H(BN[5a]2H)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH){1|C<4>,1|H<1>}	H(BN[5a]2H)	107.2230	0.396	2	107.2230	0.157	2	108.9562	2.105	29	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	H(BN[5a]2H)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	H(BN[5a]2H)	109.4513	0.531	8	109.4513	0.282	8	108.9562	2.105	29	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH)	H(BN[5a]2H)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH){1|H<1>}	H(BN[5a]2H)	108.4565	1.353	4	108.4565	1.831	4	108.9562	2.105	29	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH)	H(BN[5a]2H)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH){1|N<3>}	H(BN[5a]2H)	108.8785	1.914	12	108.8785	3.662	12	108.9562	2.105	29	108.9138	2.430	43	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]2)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]2)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	H(BN[5a]N[5]2)	109.7960	2.170	5	109.7960	4.710	5	109.1286	4.940	48	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H){2|Br<1>}	H(BN[5a]N[5]2)	108.5200	0.000	1	108.5200	0.000	1	109.1286	4.940	48	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>,1|H<1>}	H(BN[5a]N[5]2)	109.0524	3.018	7	109.1235	5.796	31	109.1286	4.940	48	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	H(BN[5a]N[5]2)	108.9620	2.141	23	109.1235	5.796	31	109.1286	4.940	48	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|Cl<1>,1|C<4>}	H(BN[5a]N[5]2)	113.3360	0.000	1	109.1235	5.796	31	109.1286	4.940	48	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){1|Br<1>,1|C<4>}	H(BN[5a]N[5]2)	105.8170	0.000	1	108.4144	5.094	7	109.1286	4.940	48	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	H(BN[5a]N[5]2)	108.8473	2.130	6	108.4144	5.094	7	109.1286	4.940	48	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>}	H(BN[5a]N[5]2)	108.8560	0.000	1	109.7357	0.412	4	109.1286	4.940	48	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>}	H(BN[5a]N[5]2)	110.0290	0.319	3	109.7357	0.412	4	109.1286	4.940	48	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	H(BN[5a]3)	108.4790	0.013	2	108.4790	0.000	2	108.9424	0.448	16	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|F<1>,2|C<3>}	H(BN[5a]3)	108.1620	0.220	5	109.0086	0.479	14	108.9424	0.448	16	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	H(BN[5a]3)	109.4789	0.240	9	109.0086	0.479	14	108.9424	0.448	16	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H){4|C<3>}	H(BN[5a]3)	108.5270	0.000	1	108.5270	0.000	1	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	H(BN[5a]3)	110.2105	0.013	2	109.0178	1.176	44	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<4>}	H(BN[5a]3)	109.4103	0.043	3	109.0178	1.176	44	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	H(BN[5a]3)	109.1550	0.889	22	109.0178	1.176	44	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	H(BN[5a]3)	108.6308	1.316	17	109.0178	1.176	44	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,1|H<1>,3|C<4>}	H(BN[5a]3)	109.0380	0.000	1	111.8955	16.331	2	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,2|C<4>,2|H<1>}	H(BN[5a]3)	114.7530	0.000	1	111.8955	16.331	2	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	H(BN[5a]3)	109.1860	0.000	1	108.7148	12.764	4	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){2|Br<1>,2|C<3>}	H(BN[5a]3)	108.5577	4.359	3	108.7148	12.764	4	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	H(BN[5a]3)	108.3589	7.826	3	108.6300	11.242	36	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<3>}	H(BN[5a]3)	107.3903	0.009	3	108.6300	11.242	36	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<4>}	H(BN[5a]3)	106.4950	0.000	1	108.6300	11.242	36	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	H(BN[5a]3)	108.5165	2.158	15	108.6300	11.242	36	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	H(BN[5a]3)	107.9134	2.398	8	108.6300	11.242	36	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){2|H<1>}	H(BN[5a]3)	110.9805	4.872	6	108.6300	11.242	36	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(BN[5a]3)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H){1|H<1>}	H(BN[5a]3)	108.9507	2.627	3	108.9507	6.901	3	108.9055	5.999	90	108.9789	5.061	154	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]U)(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]U)(BN[5]2H){1|C<4>,1|H<1>}	H(BN[5a]N[5]2)	109.5870	0.000	1	109.5870	0.000	1	111.1990	5.197	2	111.1990	5.197	2	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:B-4:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W)(BN[5]2H)	H(BN[5a]N[5]2)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W)(BN[5]2H){1|C<3>,1|H<1>}	H(BN[5a]N[5]2)	112.8110	0.000	1	112.8110	0.000	1	111.1990	5.197	2	111.1990	5.197	2	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:B-4:C[5a]-3:	B-4:	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	H(BC[6a]N[5a]2)	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	H(BC[6a]N[5a]2)	107.6730	0.454	2	107.6730	0.206	2	107.6730	0.206	2	107.4170	0.157	4	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	3:4:3:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a,6]-3:B-4:C[5a]-3:	B-4:	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	H(BC[6a]N[5a]2)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	H(BC[6a]N[5a]2)	107.1610	0.065	2	107.1610	0.004	2	107.1610	0.004	2	107.4170	0.157	4	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:3:1:	4:3:2:	4:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	B-4:	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(BN[5a]2N[5])	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(BN[5a]2N[5])	115.5770	0.000	1	115.5770	0.000	1	115.5770	0.000	1	115.5770	0.000	1	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a,6]-3:C[5a]-3:B-4:	B-4:	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	H(BN[5a]2C)	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Li<4>,1|H<1>,2|C<3>}	H(BN[5a]2C)	106.9565	1.368	2	106.9565	1.872	2	106.9565	1.872	2	106.9565	1.872	2	108.9758	4.587	213	108.9758	4.587	213
610	813	951	0:SP3_SP-NON_SP2	B	N[5a]	H	3:3:4:1:	3:4:2:	4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a]-3:B-4:N[5a]-2:	B-4:	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a])	H(BN[5a]C[5]N[5])	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a]){1|H<1>,1|I<1>}	H(BN[5a]C[5]N[5])	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	108.9758	4.587	213	108.9758	4.587	213
610	813	983	0:SP3_SP1_SP2	B	N[5a]	C	3:2:1:1:	3:2:4:	4:1:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-2:B-4:	B-4:N-1:	B(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH)	C(BN[5a]HH)(N)	B(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH){1|H<1>}	C(BN[5a]HH)(N)	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:2:1:	3:4:4:	3:3:4:	C[5]-3:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:B-4:	N[5]-3:N[5]-3:B-4:	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO)	C[5](N[5]C[5,6a]C)2(BC[5]HO)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C)2(BC[5]HO){2|C<3>}	118.3790	0.000	1	118.3790	0.000	1	118.3790	0.000	1	118.3790	0.000	1	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:2:2:	4:2:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-2:O[5]-2:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){1|H<1>,3|C<4>}	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){1|H<1>,3|C<4>}	105.6843	2.727	3	105.4613	8.238	6	105.4613	8.238	6	105.4613	8.238	6	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:2:2:	4:2:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-2:O[5]-2:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	105.2383	3.607	3	105.4613	8.238	6	105.4613	8.238	6	105.4613	8.238	6	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:2:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	106.3520	1.874	2	106.3520	3.511	2	107.1595	5.787	8	107.1760	5.075	12	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:2:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	108.0413	2.998	4	108.0413	8.989	4	107.1595	5.787	8	107.1760	5.075	12	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:2:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	106.2035	1.947	2	106.2035	3.790	2	107.1595	5.787	8	107.1760	5.075	12	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:2:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	106.6015	1.708	2	106.6015	2.916	2	107.2090	5.104	4	107.1760	5.075	12	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:2:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	107.8165	3.304	2	107.8165	10.918	2	107.2090	5.104	4	107.1760	5.075	12	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5]){2|C<4>,2|H<1>}	103.7289	2.628	21	103.7289	6.904	21	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5]){2|C<4>,2|H<1>}	105.1092	3.791	13	105.1092	14.374	13	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5]){1|C<4>,3|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5]){1|C<4>,3|H<1>}	102.0643	0.549	3	102.1513	2.822	6	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5]){1|H<1>,3|C<4>}	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5]){1|H<1>,3|C<4>}	102.2384	2.594	3	102.1513	2.822	6	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Ni)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Ni)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Ni)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Ni)(O[5]C[5]){2|C<4>,2|H<1>}	102.8083	2.740	3	102.8083	7.508	3	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5]){1|C<4>,3|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5]){1|C<4>,3|H<1>}	102.8897	0.897	3	103.0337	2.460	6	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5]){1|H<1>,3|C<4>}	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5]){1|H<1>,3|C<4>}	103.1777	2.299	3	103.0337	2.460	6	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	103.0575	0.350	2	103.0575	0.123	2	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5]){1|H<1>,3|C<4>}	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5]){1|H<1>,3|C<4>}	104.0667	1.229	6	103.9487	5.873	37	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5])	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5]){2|C<4>,2|H<1>}	103.9259	2.606	31	103.9487	5.873	37	103.8236	7.018	88	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:C-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5]){2|C<4>,2|H<1>}	103.8410	0.662	2	103.8410	0.438	2	105.3241	26.099	7	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Li)(O[5]C[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5]Li)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Li)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5]Li)(O[5]C[5]){2|C<4>,2|H<1>}	112.5540	1.375	2	112.5540	1.890	2	105.3241	26.099	7	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	102.4110	0.000	1	102.4110	0.000	1	105.3241	26.099	7	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Zn)(O[5]C[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5]Zn)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Zn)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5]Zn)(O[5]C[5]){2|C<4>,2|H<1>}	101.0340	0.167	2	101.0340	0.028	2	105.3241	26.099	7	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5])	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	103.9997	8.349	97	104.5379	10.416	117	104.5379	10.416	117
610	818	818	0:SP3_SP2_SP2	B	C[5]	C[5]	3:3:3:4:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:C-4:	B-4:N[5]-3:O[5]-2:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	105.7110	0.000	1	105.7110	0.000	1	105.7110	0.000	1	105.7110	0.000	1	104.5379	10.416	117	104.5379	10.416	117
610	818	830	0:SP3_SP-NON_SP2	B	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(F)3	C[5](N[5]C[5]C)2(BF3)	F(BC[5]FF)	B(C[5]N[5]2)(F)3	C[5](N[5]C[5]C)2(BF3){1|H<1>,1|N<3>}	F(BC[5]FF)	109.6020	1.451	12	109.6769	1.677	16	109.5658	1.562	19	109.5658	1.562	19	109.2578	3.418	25	109.2578	3.418	25
610	818	830	0:SP3_SP-NON_SP2	B	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(F)3	C[5](N[5]C[5]C)2(BF3)	F(BC[5]FF)	B(C[5]N[5]2)(F)3	C[5](N[5]C[5]C)2(BF3){2|H<1>}	F(BC[5]FF)	109.9015	0.759	4	109.6769	1.677	16	109.5658	1.562	19	109.5658	1.562	19	109.2578	3.418	25	109.2578	3.418	25
610	818	830	0:SP3_SP-NON_SP2	B	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(F)3	C[5](N[5]C[6a]C[5])2(BF3)	F(BC[5]FF)	B(C[5]N[5]2)(F)3	C[5](N[5]C[6a]C[5])2(BF3){4|C<3>,4|H<1>}	F(BC[5]FF)	108.9733	0.926	3	108.9733	0.858	3	109.5658	1.562	19	109.5658	1.562	19	109.2578	3.418	25	109.2578	3.418	25
610	818	830	0:SP3_SP-NON_SP2	B	C[5]	F	3:1:1:1:	4:3:4:	4:	C[5]-3:F-1:F-1:F-1:	C[5]-4:N[5]-3:B-4:	B-4:	B(C[5]C[5]N[5])(F)3	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3)	F(BC[5]FF)	B(C[5]C[5]N[5])(F)3	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3){2|C<4>,2|H<1>,4|C<3>}	F(BC[5]FF)	108.6383	4.702	3	108.6383	22.109	3	108.6383	22.109	3	108.6383	22.109	3	109.2578	3.418	25	109.2578	3.418	25
610	818	830	0:SP3_SP-NON_SP2	B	C[5]	F	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:B-4:	B-4:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F)	F(BC[6a]2C[5])	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F){1|F<1>,4|C<3>}	F(BC[6a]2C[5])	107.7090	0.000	1	107.7090	0.000	1	107.7090	0.000	1	107.7090	0.000	1	109.2578	3.418	25	109.2578	3.418	25
610	818	830	0:SP3_SP-NON_SP2	B	C[5]	F	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:F-1:F-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CCCH)(F)2	C[5](N[5]C[5]C)2(BCFF)	F(BC[5]CF)	B(C[5]N[5]2)(CCCH)(F)2	C[5](N[5]C[5]C)2(BCFF){2|H<1>}	F(BC[5]CF)	108.0360	1.168	2	108.0360	1.365	2	108.0360	1.365	2	108.0360	1.365	2	109.2578	3.418	25	109.2578	3.418	25
610	818	856	0:SP3_SP2_SP2	B	C[5]	N[6]	3:3:3:3:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[6]-3:	C[5]-3:B-4:C[5]-3:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si)	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si){1|Si<4>,1|N<3>,3|C<3>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	103.2610	0.000	1	103.2610	0.000	1	103.2610	0.000	1	103.2610	0.000	1	106.4275	8.744	4	106.4275	8.744	4
610	818	856	0:SP3_SP2_SP2	B	C[5]	N[6]	3:3:3:3:	4:3:2:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	B-4:N[5]-3:O[5]-2:	B-4:C[6]-3:C[6]-3:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5])	N[6](BC[6a]C[5]2)(C[6]C[6]H)2	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	N[6](BC[6a]C[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	106.2495	1.933	2	106.2495	3.735	2	106.2495	3.735	2	106.2495	3.735	2	106.4275	8.744	4	106.4275	8.744	4
610	818	856	0:SP3_SP2_SP2	B	C[5]	N[6]	3:3:3:4:	3:4:3:	4:3:3:	C[6a]-3:C[5]-3:N[6]-3:C-4:	C[5]-3:B-4:C[5]-3:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si)	N[6](BC[6a]C[5]C)(C[6]C[6]H)2	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si){1|Si<4>,1|N<3>,2|C<3>}	N[6](BC[6a]C[5]C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	106.4275	8.744	4	106.4275	8.744	4
610	818	876	0:SP3_SP-NON_SP2	B	C[5]	H	6:3:2:1:	4:3:3:	4:4:	C[5x3,5x5,20x6]-6:C[5]-3:H-2:H-1:	B-4:N[5]-3:N[5]-3:	B-4:Si-4:	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(HSi)(H)	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2	H(BC[5x3,5x5,20x6]C[5]H)(SiC3)	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(HSi)(H)	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2{2|C<4>}	H(BC[5x3,5x5,20x6]C[5]H)(SiC3)	100.4350	0.000	1	100.4350	0.000	1	100.4350	0.000	1	100.4350	0.000	1	100.4350	0.000	1	100.4350	0.000	1
610	818	892	0:SP3_SP2_SP3	B	C[5]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[5]-3:N-4:Cl-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:B-4:H-1:H-1:	B(C[5]N[5]2)(NBHH)(Cl)(H)	C[5](N[5]C[5]C)2(BClHN)	N(BC[5]ClH)(BC[6a]3)(H)2	B(C[5]N[5]2)(NBHH)(Cl)(H)	C[5](N[5]C[5]C)2(BClHN){2|C<4>}	N(BC[5]ClH)(BC[6a]3)(H)2	115.7220	0.000	1	115.7220	0.000	1	115.7220	0.000	1	115.7220	0.000	1	113.5090	4.938	3	113.5090	4.938	3
610	818	892	0:SP3_SP2_SP3	B	C[5]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:B-4:C-4:H-1:	B(C[5]N[5]2)(NBCH)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	N(BC[5]HH)(BH3)(CC3)(H)	B(C[5]N[5]2)(NBCH)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N(BC[5]HH)(BH3)(CC3)(H)	111.2780	0.000	1	111.2780	0.000	1	112.4025	2.529	2	112.4025	2.529	2	113.5090	4.938	3	113.5090	4.938	3
610	818	892	0:SP3_SP2_SP3	B	C[5]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:B-4:C-4:H-1:	B(C[5]N[5]2)(NBCH)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	N(BC[5]HH)(BH3)(CH3)(H)	B(C[5]N[5]2)(NBCH)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N(BC[5]HH)(BH3)(CH3)(H)	113.5270	0.000	1	113.5270	0.000	1	112.4025	2.529	2	112.4025	2.529	2	113.5090	4.938	3	113.5090	4.938	3
610	818	893	0:SP3_SP2_SP2	B	C[5]	O	3:2:1:1:	3:3:4:	4:2:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:N-2:	B(C[5]N[5]2)(ON)(H)2	C[5](N[5]C[6a]C[5])2(BHHO)	O(BC[5]HH)(NO)	B(C[5]N[5]2)(ON)(H)2	C[5](N[5]C[6a]C[5])2(BHHO){2|H<1>,4|C<3>}	O(BC[5]HH)(NO)	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1
610	818	893	0:SP3_SP2_SP3	B	C[5]	O	3:2:1:1:	3:3:4:	4:4:	C[5]-3:O-2:Cl-1:Cl-1:	N[5]-3:N[5]-3:B-4:	B-4:S-4:	B(C[5]N[5]2)(OS)(Cl)2	C[5](N[5]C[6a]C[5])2(BCl2O)	O(BC[5]Cl2)(SCOO)	B(C[5]N[5]2)(OS)(Cl)2	C[5](N[5]C[6a]C[5])2(BCl2O){2|H<1>,4|C<3>}	O(BC[5]Cl2)(SCOO)	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	107.6596	17.170	5	107.6596	17.170	5
610	818	893	0:SP3_SP2_SP3	B	C[5]	O	3:2:1:1:	3:4:4:	4:4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-4:B-4:	B-4:S-4:	B(C[5]C[5]N[5])(OS)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO)	O(BC[5]HH)(SCOO)	B(C[5]C[5]N[5])(OS)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO){2|C<3>,2|C<4>,2|H<1>}	O(BC[5]HH)(SCOO)	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	107.6596	17.170	5	107.6596	17.170	5
610	818	893	0:SP3_SP2_SP3	B	C[5]	O	3:3:2:1:	3:3:4:	4:4:	C[5]-3:C[5]-3:O-2:H-1:	N[5]-3:N[5]-3:B-4:	B-4:S-4:	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[5,6a]C)2(BC[5]HO)	O(BC[5]2H)(SCOO)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[5,6a]C)2(BC[5]HO){2|C<3>}	O(BC[5]2H)(SCOO)	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	107.6596	17.170	5	107.6596	17.170	5
610	818	893	0:SP3_SP2_SP3	B	C[5]	O	3:3:2:1:	3:4:4:	4:4:	C[5]-3:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:B-4:	B-4:S-4:	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO)	O(BC[5]2H)(SCOO)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO){2|C<3>,2|C<4>,2|H<1>}	O(BC[5]2H)(SCOO)	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	107.6596	17.170	5	107.6596	17.170	5
610	818	893	0:SP3_SP2_SP3	B	C[5]	O	3:4:4:2:	3:3:4:	4:4:	C[5]-3:C-4:C-4:O-2:	N[5]-3:C[5]-3:B-4:	B-4:S-4:	B(C[5]C[5]N[5])(CCHH)2(OS)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO)	O(BC[5]CC)(SCOO)	B(C[5]C[5]N[5])(CCHH)2(OS)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO){1|C<4>,3|C<3>}	O(BC[5]CC)(SCOO)	101.4510	0.000	1	101.4510	0.000	1	101.4510	0.000	1	101.4510	0.000	1	107.6596	17.170	5	107.6596	17.170	5
610	818	909	0:SP3_SP2_SP2	B	C[5]	S	3:2:2:1:	3:3:4:	3:4:	C[5]-3:S-2:S-2:H-1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:B-4:	B(C[5]N[5]2)(SC[6a])2(H)	C[5](N[5]C[5]C)2(BHSS)	S(C[6a]C[6a]2)(BC[5]HS)	B(C[5]N[5]2)(SC[6a])2(H)	C[5](N[5]C[5]C)2(BHSS){2|H<1>}	S(C[6a]C[6a]2)(BC[5]HS)	112.6860	0.433	2	112.6860	0.187	2	112.6860	0.187	2	112.6860	0.187	2	112.6860	0.187	2	112.6860	0.187	2
610	818	909	0:SP3_SP2_SP3	B	C[5]	S	3:2:2:2:	3:3:4:	4:4:	C[5]-3:C-2:C-2:S-2:	N[5]-3:N[5]-3:B-4:	B-4:C-4:	B(C[5]N[5]2)(CN)2(SC)	C[5](N[5]C[5]C)2(BCCS)	S(BC[5]CC)(CCHH)	B(C[5]N[5]2)(CN)2(SC)	C[5](N[5]C[5]C)2(BCCS){2|C<4>}	S(BC[5]CC)(CCHH)	106.1180	0.000	1	106.1180	0.000	1	106.1180	0.000	1	109.3953	11.508	11	109.3953	11.508	11	109.3953	11.508	11
610	818	909	0:SP3_SP2_SP3	B	C[5]	S	3:2:2:2:	3:3:4:	4:4:	C[5]-3:C-2:S-2:S-2:	N[5]-3:N[5]-3:B-4:	B-4:C-4:	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[5,6a]C)2(BCSS)	S(BC[5]CS)(CCHH)	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[5,6a]C)2(BCSS){2|C<3>}	S(BC[5]CS)(CCHH)	108.3920	4.626	2	108.3920	21.399	2	109.5298	21.616	4	109.3953	11.508	11	109.3953	11.508	11	109.3953	11.508	11
610	818	909	0:SP3_SP2_SP3	B	C[5]	S	3:2:2:2:	3:3:4:	4:4:	C[5]-3:C-2:S-2:S-2:	N[5]-3:N[5]-3:B-4:	B-4:C-4:	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[6a]C[5])2(BCSS)	S(BC[5]CS)(CCHH)	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[6a]C[5])2(BCSS){2|H<1>,4|C<3>}	S(BC[5]CS)(CCHH)	110.6675	6.186	2	110.6675	38.273	2	109.5298	21.616	4	109.3953	11.508	11	109.3953	11.508	11	109.3953	11.508	11
610	818	909	0:SP3_SP2_SP3	B	C[5]	S	3:2:2:2:	3:3:4:	4:4:	C[5]-3:S-2:S-2:S-2:	N[5]-3:N[5]-3:B-4:	B-4:C-4:	B(C[5]N[5]2)(SC)3	C[5](N[5]C[5,6a]C)2(BS3)	S(BC[5]SS)(CCHH)	B(C[5]N[5]2)(SC)3	C[5](N[5]C[5,6a]C)2(BS3){2|C<3>}	S(BC[5]SS)(CCHH)	110.2390	2.893	3	110.2390	8.367	3	109.8518	7.633	6	109.3953	11.508	11	109.3953	11.508	11	109.3953	11.508	11
610	818	909	0:SP3_SP2_SP3	B	C[5]	S	3:2:2:2:	3:3:4:	4:4:	C[5]-3:S-2:S-2:S-2:	N[5]-3:N[5]-3:B-4:	B-4:C-4:	B(C[5]N[5]2)(SC)3	C[5](N[5]C[6a]C[5])2(BS3)	S(BC[5]SS)(CCHH)	B(C[5]N[5]2)(SC)3	C[5](N[5]C[6a]C[5])2(BS3){2|H<1>,4|C<3>}	S(BC[5]SS)(CCHH)	109.4647	3.204	3	109.4647	10.264	3	109.8518	7.633	6	109.3953	11.508	11	109.3953	11.508	11	109.3953	11.508	11
610	818	924	0:SP3_SP-NON_SP2	B	C[5]	Br	3:1:1:1:	3:3:4:	4:	C[5]-3:Br-1:Br-1:Br-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(Br)3	C[5](N[5]C[6a]C[5])2(BBr3)	Br(BC[5]Br2)	B(C[5]N[5]2)(Br)3	C[5](N[5]C[6a]C[5])2(BBr3){2|H<1>,4|C<3>}	Br(BC[5]Br2)	111.6560	2.896	3	111.6560	8.387	3	111.6560	8.387	3	111.6560	8.387	3	110.2834	24.089	11	110.2834	24.089	11
610	818	924	0:SP3_SP-NON_SP2	B	C[5]	Br	3:1:1:1:	3:4:4:	4:	C[5]-3:Br-1:Br-1:H-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(Br)2(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H)	Br(BC[5]BrH)	B(C[5]C[5]N[5])(Br)2(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H){2|C<3>,2|C<4>,2|H<1>}	Br(BC[5]BrH)	109.1640	3.717	2	109.1640	13.813	2	109.1640	13.813	2	109.1640	13.813	2	110.2834	24.089	11	110.2834	24.089	11
610	818	924	0:SP3_SP-NON_SP2	B	C[5]	Br	3:3:1:1:	3:3:4:	4:	C[5]-3:B-3:Br-1:Br-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(BC[6a]2)(Br)2	C[5](N[5]C[6a]C[5])2(BBr2B)	Br(BC[5]BrB)	B(C[5]N[5]2)(BC[6a]2)(Br)2	C[5](N[5]C[6a]C[5])2(BBr2B){4|C<3>,4|H<1>}	Br(BC[5]BrB)	107.1835	5.757	2	107.1835	33.138	2	107.1835	33.138	2	107.1835	33.138	2	110.2834	24.089	11	110.2834	24.089	11
610	818	924	0:SP3_SP-NON_SP2	B	C[5]	Br	3:3:1:1:	3:4:4:	4:	C[5]-3:B-3:Br-1:Br-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(BBr2)(Br)2	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B)	Br(BC[5]BrB)	B(C[5]C[5]N[5])(BBr2)(Br)2	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B){2|Si<4>,1|O<2>,2|C<3>}	Br(BC[5]BrB)	111.3000	9.851	2	111.3000	97.050	2	111.3000	97.050	2	111.3635	48.375	4	110.2834	24.089	11	110.2834	24.089	11
610	818	924	0:SP3_SP-NON_SP2	B	C[5]	Br	3:3:1:1:	3:4:4:	4:	C[5]-3:C[6a]-3:Br-1:Br-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2)	Br(BC[6a]C[5]Br)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2){2|C<3>,2|C<4>,2|H<1>}	Br(BC[6a]C[5]Br)	111.4270	6.932	2	111.4270	48.059	2	111.4270	48.059	2	111.3635	48.375	4	110.2834	24.089	11	110.2834	24.089	11
610	818	930	0:SP3_SP2_SP2	B	C[5]	C	3:3:1:1:	3:3:4:	4:3:3:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:C-3:C-3:	B(C[5]N[5]2)(CCC)(H)2	C[5](N[5]C[6a]C[5])2(BCHH)	C(BC[5]HH)(CCH)(COO)	B(C[5]N[5]2)(CCC)(H)2	C[5](N[5]C[6a]C[5])2(BCHH){2|H<1>,4|C<3>}	C(BC[5]HH)(CCH)(COO)	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	111.0424	4.312	8	111.0424	4.312	8
610	818	930	0:SP3_SP2_SP2	B	C[5]	C	3:3:1:1:	3:3:4:	4:3:4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:C-3:Si-4:	B(C[5]N[5]2)(CSiC)(H)2	C[5](N[5]C[5]C)2(BCHH)	C(BC[5]HH)(CC[6a]H)(SiC3)	B(C[5]N[5]2)(CSiC)(H)2	C[5](N[5]C[5]C)2(BCHH){2|H<1>}	C(BC[5]HH)(CC[6a]H)(SiC3)	111.7200	0.000	1	111.7200	0.000	1	111.7200	0.000	1	111.7200	0.000	1	111.0424	4.312	8	111.0424	4.312	8
610	818	930	0:SP3_SP2_SP2	B	C[5]	C	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C-3:C-3:	N[5]-3:N[5]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[5](N[5]C[5]C)2(BC[6a]CC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[5](N[5]C[5]C)2(BC[6a]CC){2|H<1>}	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	111.8480	1.181	4	111.8480	1.394	4	111.8480	1.394	4	111.8480	1.394	4	111.0424	4.312	8	111.0424	4.312	8
610	818	930	0:SP3_SP2_SP2	B	C[5]	C	3:3:3:3:	4:3:2:	4:2:1:	C[5]-3:C[5]-3:C[6a]-3:C-3:	B-4:N[5]-3:O[5]-2:	B-4:O-2:O-1:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	C(BC[6a]C[5]2)(OB)(O)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	C(BC[6a]C[5]2)(OB)(O)	108.0675	1.022	2	108.0675	1.044	2	108.0675	1.044	2	108.0675	1.044	2	111.0424	4.312	8	111.0424	4.312	8
610	818	941	0:SP3_SP2_SP2	B	C[5]	N	3:2:1:1:	3:3:4:	4:2:	C[5]-3:N-2:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:C-2:	B(C[5]N[5]2)(NC)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	N(BC[5]HH)(CO)	B(C[5]N[5]2)(NC)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N(BC[5]HH)(CO)	107.7220	0.000	1	107.7220	0.000	1	108.7465	2.099	2	108.0537	2.490	3	106.2747	14.684	6	106.2747	14.684	6
610	818	941	0:SP3_SP2_SP2	B	C[5]	N	3:2:1:1:	3:3:4:	4:2:	C[5]-3:N-2:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:C-2:	B(C[5]N[5]2)(NC)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	N(BC[5]HH)(CS)	B(C[5]N[5]2)(NC)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N(BC[5]HH)(CS)	109.7710	0.000	1	109.7710	0.000	1	108.7465	2.099	2	108.0537	2.490	3	106.2747	14.684	6	106.2747	14.684	6
610	818	941	0:SP3_SP2_SP2	B	C[5]	N	3:2:1:1:	3:3:4:	4:2:	C[5]-3:N-2:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:N-2:	B(C[5]N[5]2)(NN)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	N(BC[5]HH)(NN)	B(C[5]N[5]2)(NN)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N(BC[5]HH)(NN)	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	108.0537	2.490	3	106.2747	14.684	6	106.2747	14.684	6
610	818	941	0:SP3_SP2_SP2	B	C[5]	N	3:2:1:1:	3:3:4:	4:4:	C[5]-3:N-2:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:Si-4:	B(C[5]N[5]2)(NSi)(H)2	C[5](N[5]C[5]C)2(BHHN)	N(BC[5]HH)(SiSiHH)	B(C[5]N[5]2)(NSi)(H)2	C[5](N[5]C[5]C)2(BHHN){2|C<4>}	N(BC[5]HH)(SiSiHH)	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	106.2747	14.684	6	106.2747	14.684	6
610	818	941	0:SP3_SP2_SP2	B	C[5]	N	3:3:3:2:	3:3:4:	4:2:	C[5]-3:C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:B-4:	B-4:C-2:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N)	N(BC[6a]2C[5])(CC)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N){1|C<4>,2|C<3>,2|H<1>}	N(BC[6a]2C[5])(CC)	101.6300	0.421	2	101.6300	0.178	2	101.6300	0.178	2	101.6300	0.178	2	106.2747	14.684	6	106.2747	14.684	6
610	818	944	0:SP3_SP-NON_SP2	B	C[5]	I	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:I-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(H)2(I)	C[5](N[5]C[6a]C[5])2(BHHI)	I(BC[5]HH)	B(C[5]N[5]2)(H)2(I)	C[5](N[5]C[6a]C[5])2(BHHI){2|H<1>,4|C<3>}	I(BC[5]HH)	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	110.9733	26.955	4	109.3817	32.725	10	109.3817	32.725	10
610	818	944	0:SP3_SP-NON_SP2	B	C[5]	I	3:1:1:1:	3:3:4:	4:	C[5]-3:I-1:I-1:I-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(I)3	C[5](N[5]C[6a]C[5])2(BI3)	I(BC[5]II)	B(C[5]N[5]2)(I)3	C[5](N[5]C[6a]C[5])2(BI3){2|H<1>,4|C<3>}	I(BC[5]II)	111.7877	6.038	3	111.7877	36.453	3	111.7877	36.453	3	110.9733	26.955	4	109.3817	32.725	10	109.3817	32.725	10
610	818	944	0:SP3_SP-NON_SP2	B	C[5]	I	3:1:1:1:	3:4:4:	4:	C[5]-3:I-1:I-1:I-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(I)3	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3)	I(BC[5]II)	B(C[5]C[5]N[5])(I)3	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3){1|Br<1>,3|C<3>}	I(BC[5]II)	109.7453	9.572	3	109.7453	91.627	3	109.7453	91.627	3	109.7453	91.627	3	109.3817	32.725	10	109.3817	32.725	10
610	818	944	0:SP3_SP-NON_SP2	B	C[5]	I	3:2:2:1:	3:3:4:	4:	C[5]-3:C-2:C-2:I-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5,6a]C)2(BCCI)	I(BC[5]CC)	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5,6a]C)2(BCCI){2|C<3>}	I(BC[5]CC)	107.7550	0.000	1	107.7550	0.000	1	106.8960	0.669	3	106.8960	0.669	3	109.3817	32.725	10	109.3817	32.725	10
610	818	944	0:SP3_SP-NON_SP2	B	C[5]	I	3:2:2:1:	3:3:4:	4:	C[5]-3:C-2:C-2:I-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5]C)2(BCCI)	I(BC[5]CC)	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5]C)2(BCCI){2|C<4>}	I(BC[5]CC)	106.1260	0.000	1	106.1260	0.000	1	106.8960	0.669	3	106.8960	0.669	3	109.3817	32.725	10	109.3817	32.725	10
610	818	944	0:SP3_SP-NON_SP2	B	C[5]	I	3:2:2:1:	3:3:4:	4:	C[5]-3:C-2:C-2:I-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[6a]C[5])2(BCCI)	I(BC[5]CC)	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[6a]C[5])2(BCCI){2|H<1>,4|C<3>}	I(BC[5]CC)	106.8070	0.000	1	106.8070	0.000	1	106.8960	0.669	3	106.8960	0.669	3	109.3817	32.725	10	109.3817	32.725	10
610	818	945	0:SP3_SP2_SP3	B	C[5]	P	3:3:2:2:	3:3:4:	4:4:4:	C[5]-3:P-3:C-2:C-2:	N[5]-3:N[5]-3:B-4:	B-4:C-4:C-4:	B(C[5]N[5]2)(PCC)(CN)2	C[5](N[5]C[5,6a]C)2(BCCP)	P(BC[5]CC)(CC3)2	B(C[5]N[5]2)(PCC)(CN)2	C[5](N[5]C[5,6a]C)2(BCCP){2|C<3>}	P(BC[5]CC)(CC3)2	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:B-4:	B-4:	B(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3)	H(BC[5]HH)	B(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3){5|C<3>}	H(BC[5]HH)	109.6613	1.109	3	109.6613	1.230	3	109.6132	2.678	12	109.2149	4.084	59	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:B-4:	B-4:	B(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	H(BC[5]HH)	B(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	H(BC[5]HH)	109.5971	1.837	9	109.5971	3.373	9	109.6132	2.678	12	109.2149	4.084	59	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5,5]-3:B-4:	B-4:	B(C[5]N[5,5]2)(H)3	C[5](N[5,5]C[5,5]C[5])2(BH3)	H(BC[5]HH)	B(C[5]N[5,5]2)(H)3	C[5](N[5,5]C[5,5]C[5])2(BH3){2|H<1>,2|O<2>,4|C<4>}	H(BC[5]HH)	107.8723	1.387	3	107.8723	1.925	3	107.8723	1.925	3	109.2149	4.084	59	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3)	H(BC[5]HH)	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3){1|H<1>}	H(BC[5]HH)	109.5220	0.756	3	109.5220	0.572	3	109.0909	4.526	42	109.2149	4.084	59	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(BH3)	H(BC[5]HH)	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(BH3){2|H<1>}	H(BC[5]HH)	108.9200	2.556	24	108.9200	6.531	24	109.0909	4.526	42	109.2149	4.084	59	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C[6])2(BH3)	H(BC[5]HH)	B(C[5]N[5]2)(H)3	C[5](N[5]C[5]C[6])2(BH3){4|C<4>,4|H<1>}	H(BC[5]HH)	109.6890	1.571	3	109.6890	2.469	3	109.0909	4.526	42	109.2149	4.084	59	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3)	H(BC[5]HH)	B(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3){2|C<3>,2|H<1>}	H(BC[5]HH)	109.4492	1.661	9	109.4492	2.759	9	109.0909	4.526	42	109.2149	4.084	59	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(BH3)	H(BC[5]HH)	B(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(BH3){2|H<1>,4|C<3>}	H(BC[5]HH)	108.3543	1.022	3	108.3543	1.045	3	109.0909	4.526	42	109.2149	4.084	59	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:I-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(H)2(I)	C[5](N[5]C[6a]C[5])2(BHHI)	H(BC[5]HI)	B(C[5]N[5]2)(H)2(I)	C[5](N[5]C[6a]C[5])2(BHHI){2|H<1>,4|C<3>}	H(BC[5]HI)	111.4425	0.310	2	111.4425	0.096	2	111.4425	0.096	2	109.2149	4.084	59	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:Br-1:Br-1:H-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(Br)2(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H)	H(BC[5]Br2)	B(C[5]C[5]N[5])(Br)2(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H){2|C<3>,2|C<4>,2|H<1>}	H(BC[5]Br2)	112.6170	0.000	1	112.6170	0.000	1	112.6170	0.000	1	109.3792	24.838	4	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3)	H(BC[5]HH)	B(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3){2|C<3>,2|C<4>,2|H<1>}	H(BC[5]HH)	108.3000	5.502	3	108.3000	30.269	3	108.3000	30.269	3	109.3792	24.838	4	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:N-2:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(NC)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	H(BC[5]HN)	B(C[5]N[5]2)(NC)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	H(BC[5]HN)	110.7073	2.276	4	110.7073	5.182	4	109.5424	7.462	8	110.0408	7.029	10	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:N-2:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(NN)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	H(BC[5]HN)	B(C[5]N[5]2)(NN)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	H(BC[5]HN)	109.2515	4.424	2	109.2515	19.575	2	109.5424	7.462	8	110.0408	7.029	10	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:N-2:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(NSi)(H)2	C[5](N[5]C[5]C)2(BHHN)	H(BC[5]HN)	B(C[5]N[5]2)(NSi)(H)2	C[5](N[5]C[5]C)2(BHHN){2|C<4>}	H(BC[5]HN)	107.5035	1.790	2	107.5035	3.203	2	109.5424	7.462	8	110.0408	7.029	10	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(ON)(H)2	C[5](N[5]C[6a]C[5])2(BHHO)	H(BC[5]HO)	B(C[5]N[5]2)(ON)(H)2	C[5](N[5]C[6a]C[5])2(BHHO){2|H<1>,4|C<3>}	H(BC[5]HO)	112.0345	1.043	2	112.0345	1.088	2	112.0345	1.088	2	110.0408	7.029	10	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:2:1:1:	3:4:4:	4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(OS)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO)	H(BC[5]HO)	B(C[5]C[5]N[5])(OS)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO){2|C<3>,2|C<4>,2|H<1>}	H(BC[5]HO)	109.5675	1.979	2	109.5675	3.917	2	109.5675	3.917	2	109.5675	3.917	2	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:2:2:1:	3:3:4:	4:	C[5]-3:C-2:C-2:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CN)2(H)	C[5](N[5]C[5]C)2(BCCH)	H(BC[5]CC)	B(C[5]N[5]2)(CN)2(H)	C[5](N[5]C[5]C)2(BCCH){2|H<1>}	H(BC[5]CC)	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	108.3210	1.280	2	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:2:2:1:	3:3:4:	4:	C[5]-3:S-2:S-2:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(SC[6a])2(H)	C[5](N[5]C[5]C)2(BHSS)	H(BC[5]SS)	B(C[5]N[5]2)(SC[6a])2(H)	C[5](N[5]C[5]C)2(BHSS){2|H<1>}	H(BC[5]SS)	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	108.3210	1.280	2	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CCC)(H)2	C[5](N[5]C[6a]C[5])2(BCHH)	H(BC[5]CH)	B(C[5]N[5]2)(CCC)(H)2	C[5](N[5]C[6a]C[5])2(BCHH){2|H<1>,4|C<3>}	H(BC[5]CH)	107.3790	1.837	2	107.3790	3.375	2	107.5187	1.192	4	109.4146	4.743	24	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CSiC)(H)2	C[5](N[5]C[5]C)2(BCHH)	H(BC[5]CH)	B(C[5]N[5]2)(CSiC)(H)2	C[5](N[5]C[5]C)2(BCHH){2|H<1>}	H(BC[5]CH)	107.6585	0.353	2	107.6585	0.125	2	107.5187	1.192	4	109.4146	4.743	24	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6]-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(C[6]C[6]2)(H)2	C[5](N[5]C[5]C)2(BC[6]HH)	H(BC[5]C[6]H)	B(C[5]N[5]2)(C[6]C[6]2)(H)2	C[5](N[5]C[5]C)2(BC[6]HH){2|H<1>}	H(BC[5]C[6]H)	109.4220	0.006	2	109.4220	0.000	2	109.4220	0.000	2	109.4146	4.743	24	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(NHN)(H)2	C[5](N[5]C[5]C)2(BHHN)	H(BC[5]HN)	B(C[5]N[5]2)(NHN)(H)2	C[5](N[5]C[5]C)2(BHHN){2|H<1>}	H(BC[5]HN)	110.9025	0.210	2	110.9025	0.044	2	111.9300	4.426	6	109.4146	4.743	24	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(NNO)(H)2	C[5](N[5]C[5]C)2(BHHN)	H(BC[5]HN)	B(C[5]N[5]2)(NNO)(H)2	C[5](N[5]C[5]C)2(BHHN){2|H<1>}	H(BC[5]HN)	114.3320	2.158	2	114.3320	4.657	2	111.9300	4.426	6	109.4146	4.743	24	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(NOO)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	H(BC[5]HN)	B(C[5]N[5]2)(NOO)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	H(BC[5]HN)	110.5555	0.022	2	110.5555	0.000	2	111.9300	4.426	6	109.4146	4.743	24	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(N[5]C[5,5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(BN[5]HH)	H(BC[5]N[5]H)	B(N[5]C[5,5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(BN[5]HH){2|H<1>,4|C<3>}	H(BC[5]N[5]H)	108.4805	0.921	2	108.4805	0.849	2	108.3247	0.741	4	109.4146	4.743	24	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(N[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BN[5]HH)	H(BC[5]N[5]H)	B(N[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BN[5]HH){2|H<1>}	H(BC[5]N[5]H)	108.1690	1.130	2	108.1690	1.277	2	108.3247	0.741	4	109.4146	4.743	24	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(BN[5a]HH)	H(BN[5a]C[5]H)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(BN[5a]HH){2|H<1>,4|C<3>}	H(BN[5a]C[5]H)	109.0191	1.805	8	109.0191	3.258	8	109.0191	3.258	8	109.4146	4.743	24	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:2:1:	3:3:4:	4:	C[5]-3:C[5]-3:O-2:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[5,6a]C)2(BC[5]HO)	H(BC[5]2O)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[5,6a]C)2(BC[5]HO){2|C<3>}	H(BC[5]2O)	105.2100	0.000	1	105.2100	0.000	1	105.2100	0.000	1	106.5927	2.237	3	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-2:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH)	H(BC[6a]C[5]C)	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	H(BC[6a]C[5]C)	106.3880	0.000	1	106.3880	0.000	1	107.2840	1.606	2	106.5927	2.237	3	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-2:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH)	H(BC[6a]C[5]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	H(BC[6a]C[5]C)	108.1800	0.000	1	108.1800	0.000	1	107.2840	1.606	2	106.5927	2.237	3	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:2:1:	3:4:4:	4:	C[5]-3:C[5]-3:O-2:H-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO)	H(BC[5]2O)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO){2|C<3>,2|C<4>,2|H<1>}	H(BC[5]2O)	105.1950	0.000	1	105.1950	0.000	1	105.1950	0.000	1	105.1950	0.000	1	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:N-3:N-3:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(NHN)2(H)	C[5](N[5]C[5]C)2(BHNN)	H(BC[5]NN)	B(C[5]N[5]2)(NHN)2(H)	C[5](N[5]C[5]C)2(BHNN){2|H<1>}	H(BC[5]NN)	106.1020	0.000	1	106.1020	0.000	1	106.1020	0.000	1	104.5633	1.824	3	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(BC[6a]2H)	H(BC[6a]2C[5])	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(BC[6a]2H){2|H<1>}	H(BC[6a]2C[5])	103.7940	0.313	2	103.7940	0.098	2	103.7940	0.098	2	104.5633	1.824	3	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:3:1:	4:2:2:	4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	B-4:O[5]-2:O[5]-2:	B-4:	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5])	H(BC[6a]2C[5])	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	H(BC[6a]2C[5])	102.6180	0.000	1	102.6180	0.000	1	102.6180	0.000	1	102.6180	0.000	1	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:3:4:1:	3:4:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH)	H(BC[6a]C[5]C)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	H(BC[6a]C[5]C)	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:B-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(BC[5]HH)(H)2	C[5](N[5]C[6a]C[5])2(BBHH)	H(BC[5]BH)	B(C[5]N[5]2)(BC[5]HH)(H)2	C[5](N[5]C[6a]C[5])2(BBHH){2|H<1>,4|C<3>}	H(BC[5]BH)	108.3387	0.453	6	108.3387	0.205	6	108.3387	0.205	6	108.5516	4.638	27	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:Cl-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CCCH)(Cl)(H)	C[5](N[5]C[6a]C[5])2(BClCH)	H(BC[5]ClC)	B(C[5]N[5]2)(CCCH)(Cl)(H)	C[5](N[5]C[6a]C[5])2(BClCH){2|H<1>,4|C<3>}	H(BC[5]ClC)	104.8885	1.337	2	104.8885	1.788	2	104.8885	1.788	2	108.5516	4.638	27	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CCCH)(H)2	C[5](N[5]C[5,6a]C)2(BCHH)	H(BC[5]CH)	B(C[5]N[5]2)(CCCH)(H)2	C[5](N[5]C[5,6a]C)2(BCHH){2|C<3>}	H(BC[5]CH)	108.2590	1.739	2	108.2590	3.026	2	108.6646	3.265	12	108.5516	4.638	27	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)2(BCHH)	H(BC[5]CH)	B(C[5]N[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)2(BCHH){2|H<1>}	H(BC[5]CH)	108.4834	1.308	8	108.4834	1.711	8	108.6646	3.265	12	108.5516	4.638	27	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(BCHH)	H(BC[5]CH)	B(C[5]N[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(BCHH){2|H<1>}	H(BC[5]CH)	109.7950	4.214	2	109.7950	17.761	2	108.6646	3.265	12	108.5516	4.638	27	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:Cl-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(NBHH)(Cl)(H)	C[5](N[5]C[5]C)2(BClHN)	H(BC[5]ClN)	B(C[5]N[5]2)(NBHH)(Cl)(H)	C[5](N[5]C[5]C)2(BClHN){2|C<4>}	H(BC[5]ClN)	113.7270	0.000	1	113.7270	0.000	1	113.7270	0.000	1	108.5516	4.638	27	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(NBCH)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	H(BC[5]HN)	B(C[5]N[5]2)(NBCH)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	H(BC[5]HN)	107.5157	1.176	4	107.5157	1.384	4	107.5157	1.384	4	108.5516	4.638	27	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:S-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]N[5]2)(SC[5a]OO)(H)2	C[5](N[5]C[6a]C[5])2(BHHS)	H(BC[5]HS)	B(C[5]N[5]2)(SC[5a]OO)(H)2	C[5](N[5]C[6a]C[5])2(BHHS){2|H<1>,4|C<3>}	H(BC[5]HS)	111.6590	0.249	2	111.6590	0.062	2	111.6590	0.062	2	108.5516	4.638	27	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	3:4:1:1:	3:4:4:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-4:B-4:	B-4:	B(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH)	H(BC[5]CH)	B(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH){2|C<3>,2|C<4>,2|H<1>}	H(BC[5]CH)	106.8990	5.127	2	106.8990	26.281	2	106.8990	26.281	2	106.8990	26.281	2	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BC[5]HH)	H(BC[5]2H)	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BC[5]HH){2|H<1>}	H(BC[5]2H)	107.7700	0.461	2	107.7700	0.213	2	107.7700	0.213	2	107.9139	1.743	10	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BC[6]HH)	H(BC[5]C[6]H)	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BC[6]HH){2|H<1>}	H(BC[5]C[6]H)	107.5525	1.462	2	107.5525	2.136	2	107.9499	2.203	8	107.9139	1.743	10	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BC[6]HH)	H(BC[5]C[6]H)	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(BC[6]HH){2|H<1>}	H(BC[5]C[6]H)	107.5757	1.734	4	107.5757	3.006	4	107.9499	2.203	8	107.9139	1.743	10	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(BC[6]HH)	H(BC[5]C[6]H)	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(BC[6]HH){2|H<1>,4|C<3>}	H(BC[5]C[6]H)	109.0955	0.876	2	109.0955	0.768	2	107.9499	2.203	8	107.9139	1.743	10	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	4:3:3:1:	3:3:4:	4:	B-4:B[5a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(BB[5a]BH)	H(BB[5a]C[5]B)	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(BB[5a]BH){4|C<3>,4|H<1>}	H(BB[5a]C[5]B)	105.9990	0.000	1	105.9990	0.000	1	105.9990	0.000	1	105.8370	0.109	3	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	4:3:3:1:	3:3:4:	4:	B-4:C[6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:B-4:	B-4:	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(BC[6a]BH)	H(BC[6a]C[5]B)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(BC[6a]BH){2|C<4>}	H(BC[6a]C[5]B)	105.7560	0.423	2	105.7560	0.179	2	105.7560	0.179	2	105.8370	0.109	3	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[5]-3:H-1:H-1:	B-4:N[5]-3:N[5]-3:	B-4:	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(H)2	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2	H(BC[5x3,5x5,20x6]C[5]H)	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(H)2	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2{2|C<4>}	H(BC[5x3,5x5,20x6]C[5]H)	106.6450	0.000	1	106.6450	0.000	1	106.6450	0.000	1	106.6450	0.000	1	108.7651	5.698	154	108.7651	5.698	154
610	818	951	0:SP3_SP-NON_SP2	B	C[5]	H	6:3:2:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[5]-3:H-2:H-1:	B-4:N[5]-3:N[5]-3:	B-4:	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(HSi)(H)	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2	H(BC[5x3,5x5,20x6]C[5]H)	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(HSi)(H)	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2{2|C<4>}	H(BC[5x3,5x5,20x6]C[5]H)	110.4850	0.000	1	110.4850	0.000	1	110.4850	0.000	1	110.4850	0.000	1	108.7651	5.698	154	108.7651	5.698	154
610	818	952	0:SP3_SP2_SP3	B	C[5]	S	3:4:1:1:	3:3:4:	3:4:1:1:	C[5]-3:S-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	C[5a]-3:B-4:O-1:O-1:	B(C[5]N[5]2)(SC[5a]OO)(H)2	C[5](N[5]C[6a]C[5])2(BHHS)	S(C[5a]N[5a]2)(BC[5]HH)(O)2	B(C[5]N[5]2)(SC[5a]OO)(H)2	C[5](N[5]C[6a]C[5])2(BHHS){2|H<1>,4|C<3>}	S(C[5a]N[5a]2)(BC[5]HH)(O)2	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1
610	818	956	0:SP3_SP2_SP2	B	C[5]	N	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N-3:Cl-1:Cl-1:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[5]N[5]2)(NC[6a]2)(Cl)2	C[5](N[5]C[6a]C[5])2(BCl2N)	N(C[6a]C[6a]2)2(BC[5]Cl2)	B(C[5]N[5]2)(NC[6a]2)(Cl)2	C[5](N[5]C[6a]C[5])2(BCl2N){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)2(BC[5]Cl2)	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	112.6158	9.925	6	112.6158	9.925	6
610	818	956	0:SP3_SP2_SP2	B	C[5]	N	3:3:1:1:	3:3:4:	4:1:1:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:O-1:O-1:	B(C[5]N[5]2)(NOO)(H)2	C[5](N[5]C[6a]C[5])2(BHHN)	N(BC[5]HH)(O)2	B(C[5]N[5]2)(NOO)(H)2	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N(BC[5]HH)(O)2	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	112.6158	9.925	6	112.6158	9.925	6
610	818	956	0:SP3_SP2_SP2	B	C[5]	N	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:N-2:H-1:	B(C[5]N[5]2)(NHN)(H)2	C[5](N[5]C[5]C)2(BHHN)	N(BC[5]HH)(NC[6])(H)	B(C[5]N[5]2)(NHN)(H)2	C[5](N[5]C[5]C)2(BHHN){2|H<1>}	N(BC[5]HH)(NC[6])(H)	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	113.1560	10.942	2	112.6158	9.925	6	112.6158	9.925	6
610	818	956	0:SP3_SP2_SP2	B	C[5]	N	3:3:1:1:	3:3:4:	4:2:1:	C[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B-4:N-2:O-1:	B(C[5]N[5]2)(NNO)(H)2	C[5](N[5]C[5]C)2(BHHN)	N(BC[5]HH)(NC[6a])(O)	B(C[5]N[5]2)(NNO)(H)2	C[5](N[5]C[5]C)2(BHHN){2|H<1>}	N(BC[5]HH)(NC[6a])(O)	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	113.1560	10.942	2	112.6158	9.925	6	112.6158	9.925	6
610	818	956	0:SP3_SP2_SP2	B	C[5]	N	3:3:3:1:	3:3:4:	4:2:1:	C[5]-3:N-3:N-3:H-1:	N[5]-3:N[5]-3:B-4:	B-4:N-2:H-1:	B(C[5]N[5]2)(NHN)2(H)	C[5](N[5]C[5]C)2(BHNN)	N(BC[5]HN)(NC[6])(H)	B(C[5]N[5]2)(NHN)2(H)	C[5](N[5]C[5]C)2(BHNN){2|H<1>}	N(BC[5]HN)(NC[6])(H)	113.2450	1.601	2	113.2450	2.563	2	113.2450	2.563	2	113.2450	2.563	2	112.6158	9.925	6	112.6158	9.925	6
610	818	956	0:SP3_SP2_SP3	B	C[5]	N	3:3:1:1:	3:4:4:	4:4:4:	C[5]-3:N-3:Cl-1:Cl-1:	N[5]-3:C[5]-4:B-4:	B-4:Si-4:Si-4:	B(C[5]C[5]N[5])(NSi2)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N)	N(BC[5]Cl2)(SiC3)2	B(C[5]C[5]N[5])(NSi2)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N){2|C<3>,2|C<4>,2|H<1>}	N(BC[5]Cl2)(SiC3)2	119.9650	0.000	1	119.9650	0.000	1	119.9650	0.000	1	119.9650	0.000	1	119.9650	0.000	1	119.9650	0.000	1
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:2:2:1:	3:3:4:	4:1:	C[5]-3:C-2:C-2:H-1:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(CN)2(H)	C[5](N[5]C[5]C)2(BCCH)	C(BC[5]CH)(N)	B(C[5]N[5]2)(CN)2(H)	C[5](N[5]C[5]C)2(BCCH){2|H<1>}	C(BC[5]CH)(N)	110.6740	1.079	2	110.6740	1.164	2	110.6740	1.164	2	113.4238	5.609	6	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:2:2:1:	3:3:4:	4:1:	C[5]-3:C-2:C-2:I-1:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5,6a]C)2(BCCI)	C(BC[5]CI)(N)	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5,6a]C)2(BCCI){2|C<3>}	C(BC[5]CI)(N)	113.0530	0.000	1	113.0530	0.000	1	114.7987	1.399	4	113.4238	5.609	6	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:2:2:1:	3:3:4:	4:1:	C[5]-3:C-2:C-2:I-1:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5]C)2(BCCI)	C(BC[5]CI)(N)	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[5]C)2(BCCI){2|C<4>}	C(BC[5]CI)(N)	115.0830	0.000	1	115.0830	0.000	1	114.7987	1.399	4	113.4238	5.609	6	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:2:2:1:	3:3:4:	4:1:	C[5]-3:C-2:C-2:I-1:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[6a]C[5])2(BCCI)	C(BC[5]CI)(N)	B(C[5]N[5]2)(CN)2(I)	C[5](N[5]C[6a]C[5])2(BCCI){2|H<1>,4|C<3>}	C(BC[5]CI)(N)	115.5295	0.013	2	115.5295	0.000	2	114.7987	1.399	4	113.4238	5.609	6	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:2:2:2:	3:3:4:	4:1:	C[5]-3:C-2:C-2:S-2:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(CN)2(SC)	C[5](N[5]C[5]C)2(BCCS)	C(BC[5]CS)(N)	B(C[5]N[5]2)(CN)2(SC)	C[5](N[5]C[5]C)2(BCCS){2|C<4>}	C(BC[5]CS)(N)	112.2195	1.503	2	112.2195	2.258	2	112.2195	2.258	2	112.9417	2.794	4	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:2:2:2:	3:3:4:	4:1:	C[5]-3:C-2:S-2:S-2:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[5,6a]C)2(BCSS)	C(BC[5]SS)(N)	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[5,6a]C)2(BCSS){2|C<3>}	C(BC[5]SS)(N)	115.0850	0.000	1	115.0850	0.000	1	113.6640	4.038	2	112.9417	2.794	4	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:2:2:2:	3:3:4:	4:1:	C[5]-3:C-2:S-2:S-2:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[6a]C[5])2(BCSS)	C(BC[5]SS)(N)	B(C[5]N[5]2)(CN)(SC)2	C[5](N[5]C[6a]C[5])2(BCSS){2|H<1>,4|C<3>}	C(BC[5]SS)(N)	112.2430	0.000	1	112.2430	0.000	1	113.6640	4.038	2	112.9417	2.794	4	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:C-2:H-1:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH)	C(BC[6a]C[5]H)(N)	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	C(BC[6a]C[5]H)(N)	111.0540	0.000	1	111.0540	0.000	1	109.6925	3.707	2	109.6925	3.707	2	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:C-2:H-1:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH)	C(BC[6a]C[5]H)(N)	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	C(BC[6a]C[5]H)(N)	108.3310	0.000	1	108.3310	0.000	1	109.6925	3.707	2	109.6925	3.707	2	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:3:2:2:	3:3:4:	4:1:	C[5]-3:P-3:C-2:C-2:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(PCC)(CN)2	C[5](N[5]C[5,6a]C)2(BCCP)	C(BC[5]CP)(N)	B(C[5]N[5]2)(PCC)(CN)2	C[5](N[5]C[5,6a]C)2(BCCP){2|C<3>}	C(BC[5]CP)(N)	108.9105	5.815	2	108.9105	33.809	2	108.9105	33.809	2	108.9105	33.809	2	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[5]-3:C-2:	N[5]-3:N[5]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[5](N[5]C[5]C)2(BC[6a]2C)	C(BC[6a]2C[5])(CH)	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[5](N[5]C[5]C)2(BC[6a]2C){2|H<1>}	C(BC[6a]2C[5])(CH)	103.9880	2.414	2	103.9880	5.828	2	103.9880	5.828	2	103.9880	5.828	2	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:4:2:2:	3:3:4:	4:1:	C[5]-3:C-4:C-2:C-2:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(CH3)(CN)2	C[5](N[5]C[5,6a]C)2(BC3)	C(BC[5]CC)(N)	B(C[5]N[5]2)(CH3)(CN)2	C[5](N[5]C[5,6a]C)2(BC3){2|C<3>}	C(BC[5]CC)(N)	111.5580	0.453	2	111.5580	0.205	2	112.0108	0.347	4	112.0108	0.347	4	111.2767	12.852	20	111.2767	12.852	20
610	818	983	0:SP3_SP1_SP2	B	C[5]	C	3:4:2:2:	3:3:4:	4:1:	C[5]-3:C-4:C-2:C-2:	N[5]-3:N[5]-3:B-4:	B-4:N-1:	B(C[5]N[5]2)(CH3)(CN)2	C[5](N[5]C[6a]C[5])2(BC3)	C(BC[5]CC)(N)	B(C[5]N[5]2)(CH3)(CN)2	C[5](N[5]C[6a]C[5])2(BC3){2|H<1>,4|C<3>}	C(BC[5]CC)(N)	112.4635	0.129	2	112.4635	0.017	2	112.0108	0.347	4	112.0108	0.347	4	111.2767	12.852	20	111.2767	12.852	20
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	1:1:1:1:	4:	4:	F-1:F-1:F-1:F-1:	B-4:	B-4:	B(F)4	F(BF3)	F(BF3)	B(F)4	F(BF3)	F(BF3)	109.4385	2.738	17281	109.4385	7.496	17281	109.4385	7.496	17281	109.4384	7.495	17283	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	1:1:1:1:	4:	4:	F-1:F-1:F-1:H-1:	B-4:	B-4:	B(F)3(H)	F(BFFH)	F(BFFH)	B(F)3(H)	F(BFFH)	F(BFFH)	108.5730	0.870	2	108.5730	0.756	2	108.5730	0.756	2	109.4384	7.495	17283	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FCr)(F)3	F(BF3)	F(BF3)	B(FCr)(F)3	F(BF3)	F(BF3)	109.8920	1.231	3	109.8920	1.515	3	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FCu)(F)3	F(BF3)	F(BF3)	B(FCu)(F)3	F(BF3)	F(BF3)	110.7432	4.679	6	110.7432	21.891	6	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FFe)(F)3	F(BF3)	F(BF3)	B(FFe)(F)3	F(BF3)	F(BF3)	110.7387	1.448	9	110.7387	2.096	9	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FGa)(F)3	F(BF3)	F(BF3)	B(FGa)(F)3	F(BF3)	F(BF3)	113.4528	0.711	5	113.4528	0.505	5	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FH)(F)3	F(BF3)	F(BF3)	B(FH)(F)3	F(BF3)	F(BF3)	110.6660	0.951	3	110.6660	0.904	3	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FLi)(F)3	F(BF3)	F(BF3)	B(FLi)(F)3	F(BF3)	F(BF3)	109.8741	1.113	9	109.8741	1.239	9	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FMn)(F)3	F(BF3)	F(BF3)	B(FMn)(F)3	F(BF3)	F(BF3)	109.1753	4.024	3	109.1753	16.194	3	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FP)(F)3	F(BF3)	F(BF3)	B(FP)(F)3	F(BF3)	F(BF3)	110.4710	1.583	3	110.4710	2.505	3	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FPd)(F)3	F(BF3)	F(BF3)	B(FPd)(F)3	F(BF3)	F(BF3)	111.4723	0.949	3	111.4723	0.900	3	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FRh)(F)3	F(BF3)	F(BF3)	B(FRh)(F)3	F(BF3)	F(BF3)	110.8330	0.817	12	110.8330	0.667	12	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FRu)(F)3	F(BF3)	F(BF3)	B(FRu)(F)3	F(BF3)	F(BF3)	111.8983	0.243	3	111.8983	0.059	3	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	F-2:F-1:F-1:F-1:	B-4:	B-4:	B(FSr)(F)3	F(BF3)	F(BF3)	B(FSr)(F)3	F(BF3)	F(BF3)	111.0443	3.381	3	111.0443	11.428	3	110.8241	4.449	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	N-2:F-1:F-1:F-1:	B-4:	B-4:	B(NC)(F)3	F(BFFN)	F(BFFN)	B(NC)(F)3	F(BFFN)	F(BFFN)	113.1295	0.431	2	113.1295	0.185	2	113.1295	0.185	2	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:F-1:	B-4:	B-4:	B(OC)(F)3	F(BFFO)	F(BFFO)	B(OC)(F)3	F(BFFO)	F(BFFO)	111.6278	0.734	18	111.6278	0.539	18	110.5404	1.684	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:F-1:	B-4:	B-4:	B(OC[5])(F)3	F(BFFO)	F(BFFO)	B(OC[5])(F)3	F(BFFO)	F(BFFO)	110.5857	0.279	6	110.5857	0.078	6	110.5404	1.684	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:F-1:	B-4:	B-4:	B(OGe[4])(F)3	F(BFFO)	F(BFFO)	B(OGe[4])(F)3	F(BFFO)	F(BFFO)	109.7307	1.276	6	109.7307	1.628	6	110.5404	1.684	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:F-1:	B-4:	B-4:	B(ON)(F)3	F(BFFO)	F(BFFO)	B(ON)(F)3	F(BFFO)	F(BFFO)	110.0865	1.007	11	110.0865	1.013	11	110.5404	1.684	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:F-1:	B-4:	B-4:	B(ON[6])(F)3	F(BFFO)	F(BFFO)	B(ON[6])(F)3	F(BFFO)	F(BFFO)	111.3840	1.536	6	111.3840	2.361	6	110.5404	1.684	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:F-1:	B-4:	B-4:	B(OP)(F)3	F(BFFO)	F(BFFO)	B(OP)(F)3	F(BFFO)	F(BFFO)	110.4893	0.656	3	110.4893	0.430	3	110.5404	1.684	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:F-1:	B-4:	B-4:	B(OP[5])(F)3	F(BFFO)	F(BFFO)	B(OP[5])(F)3	F(BFFO)	F(BFFO)	109.6847	0.819	3	109.6847	0.670	3	110.5404	1.684	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:F-1:	B-4:	B-4:	B(ORe)(F)3	F(BFFO)	F(BFFO)	B(ORe)(F)3	F(BFFO)	F(BFFO)	108.6343	1.331	3	108.6343	1.771	3	110.5404	1.684	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:F-1:	B-4:	B-4:	B(OSi[4])(F)3	F(BFFO)	F(BFFO)	B(OSi[4])(F)3	F(BFFO)	F(BFFO)	109.4382	1.021	6	109.4382	1.043	6	110.5404	1.684	62	110.7211	3.109	126	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:2:1:1:	4:	4:	F-2:F-2:F-1:F-1:	B-4:	B-4:	B(FRu)(FP)(F)2	F(BF3)	F(BF3)	B(FRu)(FP)(F)2	F(BF3)	F(BF3)	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	111.7646	1.452	28	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:2:1:1:	4:	4:	O-2:O-2:F-1:F-1:	B-4:	B-4:	B(OC)2(F)2	F(BFOO)	F(BFOO)	B(OC)2(F)2	F(BFOO)	F(BFOO)	110.8525	3.195	2	110.8525	10.211	2	111.8455	1.317	27	111.7646	1.452	28	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:2:1:1:	4:	4:	O-2:O-2:F-1:F-1:	B-4:	B-4:	B(ON)2(F)2	F(BFOO)	F(BFOO)	B(ON)2(F)2	F(BFOO)	F(BFOO)	112.5075	0.361	14	112.5075	0.130	14	111.8455	1.317	27	111.7646	1.452	28	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:2:1:1:	4:	4:	O-2:O-2:F-1:F-1:	B-4:	B-4:	B(OP)2(F)2	F(BFOO)	F(BFOO)	B(OP)2(F)2	F(BFOO)	F(BFOO)	111.1835	0.970	11	111.1835	0.942	11	111.8455	1.317	27	111.7646	1.452	28	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:4:1:1:	4:	4:	O-2:C-4:F-1:F-1:	B-4:	B-4:	B(ON[6])(CCFF)(F)2	F(BCFO)	F(BCFO)	B(ON[6])(CCFF)(F)2	F(BCFO)	F(BCFO)	109.7160	0.000	1	109.7160	0.000	1	110.1990	0.467	2	110.1990	0.467	2	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	2:4:1:1:	4:	4:	O-2:C-4:F-1:F-1:	B-4:	B-4:	B(ON[6])(CF3)(F)2	F(BCFO)	F(BCFO)	B(ON[6])(CF3)(F)2	F(BCFO)	F(BCFO)	110.6820	0.000	1	110.6820	0.000	1	110.1990	0.467	2	110.1990	0.467	2	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C-3:F-1:F-1:F-1:	B-4:	B-4:	B(CC[6a]N)(F)3	F(BCFF)	F(BCFF)	B(CC[6a]N)(F)3	F(BCFF)	F(BCFF)	108.9470	2.646	3	108.9470	7.002	3	108.9470	7.002	3	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C[3]-3:F-1:F-1:F-1:	B-4:	B-4:	B(C[3]C[3]2)(F)3	F(BC[3]FF)	F(BC[3]FF)	B(C[3]C[3]2)(F)3	F(BC[3]FF)	F(BC[3]FF)	109.4068	0.129	6	109.4068	0.017	6	109.4068	0.017	6	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C[5]-3:F-1:F-1:F-1:	B-4:	B-4:	B(C[5]C[5]N[5])(F)3	F(BC[5]FF)	F(BC[5]FF)	B(C[5]C[5]N[5])(F)3	F(BC[5]FF)	F(BC[5]FF)	110.2320	0.431	3	110.2320	0.185	3	109.4800	1.862	22	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C[5]-3:F-1:F-1:F-1:	B-4:	B-4:	B(C[5]N[5]2)(F)3	F(BC[5]FF)	F(BC[5]FF)	B(C[5]N[5]2)(F)3	F(BC[5]FF)	F(BC[5]FF)	109.3613	1.429	19	109.3613	2.043	19	109.4800	1.862	22	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C[5a]-3:F-1:F-1:F-1:	B-4:	B-4:	B(C[5a]C[5a]N[5a])(F)3	F(BC[5a]FF)	F(BC[5a]FF)	B(C[5a]C[5a]N[5a])(F)3	F(BC[5a]FF)	F(BC[5a]FF)	107.4449	1.618	9	107.4449	2.618	9	107.4449	2.618	9	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C[6,6]-3:F-1:F-1:F-1:	B-4:	B-4:	B(C[6,6]C[3x6]N[6,6])(F)3	F(BC[6,6]FF)	F(BC[6,6]FF)	B(C[6,6]C[3x6]N[6,6])(F)3	F(BC[6,6]FF)	F(BC[6,6]FF)	109.7410	0.534	9	109.7410	0.285	9	109.7410	0.285	9	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C[6]-3:F-1:F-1:F-1:	B-4:	B-4:	B(C[6]C[6]2)(F)3	F(BC[6]FF)	F(BC[6]FF)	B(C[6]C[6]2)(F)3	F(BC[6]FF)	F(BC[6]FF)	108.1017	1.388	3	108.1017	1.928	3	109.5307	3.126	9	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C[6]-3:F-1:F-1:F-1:	B-4:	B-4:	B(C[6]N[6]2)(F)3	F(BC[6]FF)	F(BC[6]FF)	B(C[6]N[6]2)(F)3	F(BC[6]FF)	F(BC[6]FF)	110.2452	1.547	6	110.2452	2.392	6	109.5307	3.126	9	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C[6a]-3:F-1:F-1:F-1:	B-4:	B-4:	B(C[6a]C[6a,6a]C[6a])(F)3	F(BC[6a]FF)	F(BC[6a]FF)	B(C[6a]C[6a,6a]C[6a])(F)3	F(BC[6a]FF)	F(BC[6a]FF)	107.0423	1.887	3	107.0423	3.559	3	107.6569	0.950	70	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	C[6a]-3:F-1:F-1:F-1:	B-4:	B-4:	B(C[6a]C[6a]2)(F)3	F(BC[6a]FF)	F(BC[6a]FF)	B(C[6a]C[6a]2)(F)3	F(BC[6a]FF)	F(BC[6a]FF)	107.6844	0.931	67	107.6844	0.868	67	107.6569	0.950	70	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	N-3:F-1:F-1:F-1:	B-4:	B-4:	B(NCH)(F)3	F(BFFN)	F(BFFN)	B(NCH)(F)3	F(BFFN)	F(BFFN)	109.5983	1.728	3	109.5983	2.986	3	110.2353	2.124	6	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	N-3:F-1:F-1:F-1:	B-4:	B-4:	B(NC[6]C)(F)3	F(BFFN)	F(BFFN)	B(NC[6]C)(F)3	F(BFFN)	F(BFFN)	110.8723	1.052	3	110.8723	1.107	3	110.2353	2.124	6	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	N[5]-3:F-1:F-1:F-1:	B-4:	B-4:	B(N[5]C[5,6a]Se[5])(F)3	F(BN[5]FF)	F(BN[5]FF)	B(N[5]C[5,6a]Se[5])(F)3	F(BN[5]FF)	F(BN[5]FF)	111.9953	0.705	3	111.9953	0.498	3	111.9953	0.498	3	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	N[5a]-3:F-1:F-1:F-1:	B-4:	B-4:	B(N[5a]B[5a]C[5a])(F)3	F(BN[5a]FF)	F(BN[5a]FF)	B(N[5a]B[5a]C[5a])(F)3	F(BN[5a]FF)	F(BN[5a]FF)	110.9663	0.214	3	110.9663	0.046	3	110.9663	0.046	3	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	O-3:F-1:F-1:F-1:	B-4:	B-4:	B(OC[5,6]Pt)(F)3	F(BFFO)	F(BFFO)	B(OC[5,6]Pt)(F)3	F(BFFO)	F(BFFO)	110.7432	1.103	6	110.7432	1.217	6	110.6573	3.005	15	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	O-3:F-1:F-1:F-1:	B-4:	B-4:	B(OHH)(F)3	F(BFFO)	F(BFFO)	B(OHH)(F)3	F(BFFO)	F(BFFO)	112.5293	2.432	3	112.5293	5.915	3	110.6573	3.005	15	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	O-3:F-1:F-1:F-1:	B-4:	B-4:	B(OMnC)(F)3	F(BFFO)	F(BFFO)	B(OMnC)(F)3	F(BFFO)	F(BFFO)	110.2920	1.527	3	110.2920	2.333	3	110.6573	3.005	15	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	O-3:F-1:F-1:F-1:	B-4:	B-4:	B(ORhC)(F)3	F(BFFO)	F(BFFO)	B(ORhC)(F)3	F(BFFO)	F(BFFO)	108.9790	0.192	3	108.9790	0.037	3	110.6573	3.005	15	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:1:1:1:	4:	4:	O[4]-3:F-1:F-1:F-1:	B-4:	B-4:	B(O[4]B[4]2)(F)3	F(BO[4]FF)	F(BO[4]FF)	B(O[4]B[4]2)(F)3	F(BO[4]FF)	F(BO[4]FF)	110.8033	0.946	3	110.8033	0.896	3	110.8033	0.896	3	108.8028	3.036	158	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:2:1:1:	4:	4:	C[6a]-3:F-2:F-1:F-1:	B-4:	B-4:	B(C[6a]C[6a]2)(FNi)(F)2	F(BC[6a]FF)	F(BC[6a]FF)	B(C[6a]C[6a]2)(FNi)(F)2	F(BC[6a]FF)	F(BC[6a]FF)	110.0845	0.359	2	110.0845	0.129	2	109.9365	0.176	4	110.3382	2.348	9	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:2:1:1:	4:	4:	C[6a]-3:F-2:F-1:F-1:	B-4:	B-4:	B(C[6a]C[6a]2)(FPd)(F)2	F(BC[6a]FF)	F(BC[6a]FF)	B(C[6a]C[6a]2)(FPd)(F)2	F(BC[6a]FF)	F(BC[6a]FF)	109.7885	0.558	2	109.7885	0.311	2	109.9365	0.176	4	110.3382	2.348	9	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:2:1:1:	4:	4:	C[6a]-3:O-2:F-1:F-1:	B-4:	B-4:	B(C[6a]C[6a]2)(OC)(F)2	F(BC[6a]FO)	F(BC[6a]FO)	B(C[6a]C[6a]2)(OC)(F)2	F(BC[6a]FO)	F(BC[6a]FO)	107.0430	0.000	1	107.0430	0.000	1	107.0430	0.000	1	110.3382	2.348	9	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:2:1:1:	4:	4:	N[5]-3:F-2:F-1:F-1:	B-4:	B-4:	B(N[5]C[5,6a]C[5])(FLi)(F)2	F(BN[5]FF)	F(BN[5]FF)	B(N[5]C[5,6a]C[5])(FLi)(F)2	F(BN[5]FF)	F(BN[5]FF)	111.4245	0.808	2	111.4245	0.653	2	111.4245	0.653	2	110.3382	2.348	9	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:2:1:1:	4:	4:	N[5a]-3:O-2:F-1:F-1:	B-4:	B-4:	B(N[5a]C[5a]2)(OC[6])(F)2	F(BN[5a]FO)	F(BN[5a]FO)	B(N[5a]C[5a]2)(OC[6])(F)2	F(BN[5a]FO)	F(BN[5a]FO)	111.7030	0.124	2	111.7030	0.015	2	111.7030	0.015	2	110.3382	2.348	9	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:F-1:F-1:	B-4:	B-4:	B(N[5]C[5]2)2(F)2	F(BN[5]2F)	F(BN[5]2F)	B(N[5]C[5]2)2(F)2	F(BN[5]2F)	F(BN[5]2F)	111.0050	0.000	1	111.0050	0.000	1	110.8965	0.024	2	108.5998	7.149	4	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:F-1:F-1:	B-4:	B-4:	B(N[5]C[5]N[5])2(F)2	F(BN[5]2F)	F(BN[5]2F)	B(N[5]C[5]N[5])2(F)2	F(BN[5]2F)	F(BN[5]2F)	110.7880	0.000	1	110.7880	0.000	1	110.8965	0.024	2	108.5998	7.149	4	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:3:1:1:	4:	4:	O-3:O-3:F-1:F-1:	B-4:	B-4:	B(OCoC)2(F)2	F(BFOO)	F(BFOO)	B(OCoC)2(F)2	F(BFOO)	F(BFOO)	106.3030	0.569	2	106.3030	0.323	2	106.3030	0.323	2	108.5998	7.149	4	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	3:4:1:1:	4:	4:	C[5]-3:C-4:F-1:F-1:	B-4:	B-4:	B(C[5]N[5]2)(CCCH)(F)2	F(BC[5]CF)	F(BC[5]CF)	B(C[5]N[5]2)(CCCH)(F)2	F(BC[5]CF)	F(BC[5]CF)	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	C-4:F-1:F-1:F-1:	B-4:	B-4:	B(CCHH)(F)3	F(BCFF)	F(BCFF)	B(CCHH)(F)3	F(BCFF)	F(BCFF)	109.1923	0.326	3	109.1923	0.106	3	108.3739	1.058	23	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	C-4:F-1:F-1:F-1:	B-4:	B-4:	B(CC[6a]N[5]C)(F)3	F(BCFF)	F(BCFF)	B(CC[6a]N[5]C)(F)3	F(BCFF)	F(BCFF)	108.3340	1.159	3	108.3340	1.343	3	108.3739	1.058	23	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	C-4:F-1:F-1:F-1:	B-4:	B-4:	B(CC[6a]N[5]H)(F)3	F(BCFF)	F(BCFF)	B(CC[6a]N[5]H)(F)3	F(BCFF)	F(BCFF)	107.9178	1.508	5	107.9178	2.275	5	108.3739	1.058	23	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	C-4:F-1:F-1:F-1:	B-4:	B-4:	B(CHHP)(F)3	F(BCFF)	F(BCFF)	B(CHHP)(F)3	F(BCFF)	F(BCFF)	108.6390	0.289	3	108.6390	0.083	3	108.3739	1.058	23	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	C-4:F-1:F-1:F-1:	B-4:	B-4:	B(CN[5]HH)(F)3	F(BCFF)	F(BCFF)	B(CN[5]HH)(F)3	F(BCFF)	F(BCFF)	108.3670	1.202	6	108.3670	1.445	6	108.3739	1.058	23	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	C-4:F-1:F-1:F-1:	B-4:	B-4:	B(CN[6]HH)(F)3	F(BCFF)	F(BCFF)	B(CN[6]HH)(F)3	F(BCFF)	F(BCFF)	108.1043	0.444	3	108.1043	0.198	3	108.3739	1.058	23	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	C[5]-4:F-1:F-1:F-1:	B-4:	B-4:	B(C[5]C[5]2Fe)(F)3	F(BC[5]FF)	F(BC[5]FF)	B(C[5]C[5]2Fe)(F)3	F(BC[5]FF)	F(BC[5]FF)	107.5609	0.927	12	107.5609	0.859	12	107.5609	0.859	12	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	N-4:F-1:F-1:F-1:	B-4:	B-4:	B(NH3)(F)3	F(BFFN)	F(BFFN)	B(NH3)(F)3	F(BFFN)	F(BFFN)	110.4990	0.558	3	110.4990	0.311	3	110.4990	0.311	3	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	N[5,5,6]-4:F-1:F-1:F-1:	B-4:	B-4:	B(N[5,5,6]C[5,5]C[5,6]2)(F)3	F(BN[5,5,6]FF)	F(BN[5,5,6]FF)	B(N[5,5,6]C[5,5]C[5,6]2)(F)3	F(BN[5,5,6]FF)	F(BN[5,5,6]FF)	111.6330	0.610	2	111.6330	0.372	2	111.6330	0.372	2	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	N[5]-4:F-1:F-1:F-1:	B-4:	B-4:	B(N[5]C[5]2Fe)(F)3	F(BN[5]FF)	F(BN[5]FF)	B(N[5]C[5]2Fe)(F)3	F(BN[5]FF)	F(BN[5]FF)	111.2770	1.267	3	111.2770	1.605	3	111.2770	1.605	3	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	830	0:SP3_SP-NON_SP-NON	B	F	F	4:1:1:1:	4:	4:	P-4:F-1:F-1:F-1:	B-4:	B-4:	B(PC3)(F)3	F(BFFP)	F(BFFP)	B(PC3)(F)3	F(BFFP)	F(BFFP)	110.6981	0.529	8	110.6981	0.280	8	110.6981	0.280	8	108.9708	2.639	51	109.4446	7.420	17662	109.4446	7.420	17662
610	830	856	0:SP3_SP-NON_SP2	B	F	N[6]	3:3:3:1:	4:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	F(BC[6a]2N[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F)	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	F(BC[6a]2N[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F){2|H<1>,3|C<3>}	102.6830	0.000	1	102.6830	0.000	1	102.6830	0.000	1	102.6830	0.000	1	102.6262	0.015	4	102.6262	0.015	4
610	830	856	0:SP3_SP-NON_SP2	B	F	N[6]	4:3:3:1:	4:	3:3:4:	B-4:C[6a]-3:N[6]-3:F-1:	B-4:	C[6]-3:C[6]-3:B-4:	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	F(BC[6a]N[6]B)	N[6](C[6]C[6]H)2(BC[6a]BF)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	F(BC[6a]N[6]B)	N[6](C[6]C[6]H)2(BC[6a]BF){1|C<3>,2|H<1>}	102.5265	0.005	2	102.5265	0.000	2	102.5265	0.000	2	102.5265	0.000	2	102.6262	0.015	4	102.6262	0.015	4
610	830	856	0:SP3_SP-NON_SP2	B	F	N[6]	4:3:4:1:	4:	3:3:4:	C[5]-4:N[6]-3:C-4:F-1:	B-4:	C[6]-3:C[6]-3:B-4:	B(C[5]C[5]2Fe)(N[6]C[6]2)(CH3)(F)	F(BC[5]N[6]C)	N[6](C[6]C[6]H)2(BC[5]CF)	B(C[5]C[5]2Fe)(N[6]C[6]2)(CH3)(F)	F(BC[5]N[6]C)	N[6](C[6]C[6]H)2(BC[5]CF){1|C<3>,2|H<1>}	102.7690	0.000	1	102.7690	0.000	1	102.7690	0.000	1	102.7690	0.000	1	102.6262	0.015	4	102.6262	0.015	4
610	830	871	0:SP3_SP-NON_SP3	B	F	O	3:1:1:1:	4:	4:1:1:	O-3:F-1:F-1:F-1:	B-4:	B-4:H-1:H-1:	B(OHH)(F)3	F(BFFO)	O(BF3)(H)2	B(OHH)(F)3	F(BFFO)	O(BF3)(H)2	106.1987	2.556	3	106.1987	6.533	3	106.1987	6.533	3	106.1987	6.533	3	106.1987	6.533	3	106.1987	6.533	3
610	830	892	0:SP3_SP-NON_SP3	B	F	N	4:1:1:1:	4:	4:1:1:1:	N-4:F-1:F-1:F-1:	B-4:	B-4:H-1:H-1:H-1:	B(NH3)(F)3	F(BFFN)	N(BF3)(H)3	B(NH3)(F)3	F(BFFN)	N(BF3)(H)3	108.4220	0.375	3	108.4220	0.140	3	108.4220	0.140	3	108.4220	0.140	3	108.4220	0.140	3	108.4220	0.140	3
610	830	893	0:SP3_SP-NON_SP2	B	F	O	2:1:1:1:	4:	3:4:	O-2:F-1:F-1:F-1:	B-4:	C-3:B-4:	B(OC)(F)3	F(BFFO)	O(CC[5a]H)(BF3)	B(OC)(F)3	F(BFFO)	O(CC[5a]H)(BF3)	107.7607	2.444	3	107.7607	5.973	3	107.4368	6.452	6	107.8785	5.610	12	107.6336	4.287	32	107.6336	4.287	32
610	830	893	0:SP3_SP-NON_SP2	B	F	O	2:1:1:1:	4:	3:4:	O-2:F-1:F-1:F-1:	B-4:	C-3:B-4:	B(OC)(F)3	F(BFFO)	O(CReH)(BF3)	B(OC)(F)3	F(BFFO)	O(CReH)(BF3)	107.1130	3.137	3	107.1130	9.841	3	107.4368	6.452	6	107.8785	5.610	12	107.6336	4.287	32	107.6336	4.287	32
610	830	893	0:SP3_SP-NON_SP2	B	F	O	2:1:1:1:	4:	3:4:	O-2:F-1:F-1:F-1:	B-4:	C[5]-3:B-4:	B(OC[5])(F)3	F(BFFO)	O(C[5]C[5,6a]C[5])(BF3)	B(OC[5])(F)3	F(BFFO)	O(C[5]C[5,6a]C[5])(BF3)	108.3202	2.328	6	108.3202	5.421	6	108.3202	5.421	6	107.8785	5.610	12	107.6336	4.287	32	107.6336	4.287	32
610	830	893	0:SP3_SP-NON_SP2	B	F	O	2:1:1:1:	4:	4:3:	O-2:F-1:F-1:F-1:	B-4:	B-4:C-3:	B(OC)(F)3	F(BFFO)	O(BF3)(CCC)	B(OC)(F)3	F(BFFO)	O(BF3)(CCC)	106.9587	2.170	6	106.9587	4.707	6	107.0839	4.044	12	107.0839	4.044	12	107.6336	4.287	32	107.6336	4.287	32
610	830	893	0:SP3_SP-NON_SP2	B	F	O	2:1:1:1:	4:	4:3:	O-2:F-1:F-1:F-1:	B-4:	B-4:C-3:	B(OC)(F)3	F(BFFO)	O(BF3)(CCO)	B(OC)(F)3	F(BFFO)	O(BF3)(CCO)	107.2092	2.038	6	107.2092	4.153	6	107.0839	4.044	12	107.0839	4.044	12	107.6336	4.287	32	107.6336	4.287	32
610	830	893	0:SP3_SP-NON_SP2	B	F	O	2:2:1:1:	4:	3:4:	O-2:O-2:F-1:F-1:	B-4:	C-3:B-4:	B(OC)2(F)2	F(BFOO)	O(CC[6a]C[5])(BFFO)	B(OC)2(F)2	F(BFOO)	O(CC[6a]C[5])(BFFO)	108.3363	2.221	4	108.3363	4.935	4	108.3363	4.935	4	108.3363	4.935	4	107.6336	4.287	32	107.6336	4.287	32
610	830	893	0:SP3_SP-NON_SP2	B	F	O	3:2:1:1:	4:	3:4:	N[5a]-3:O-2:F-1:F-1:	B-4:	C[6]-3:B-4:	B(N[5a]C[5a]2)(OC[6])(F)2	F(BN[5a]FO)	O(C[6]C[6,6a]C[5,6])(BN[5a]FF)	B(N[5a]C[5a]2)(OC[6])(F)2	F(BN[5a]FO)	O(C[6]C[6,6a]C[5,6])(BN[5a]FF)	107.8450	1.343	4	107.8450	1.804	4	107.8450	1.804	4	107.8450	1.804	4	107.6336	4.287	32	107.6336	4.287	32
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:1:1:1:	4:	3:4:	O-2:F-1:F-1:F-1:	B-4:	N-3:B-4:	B(ON)(F)3	F(BFFO)	O(NTeC)(BF3)	B(ON)(F)3	F(BFFO)	O(NTeC)(BF3)	108.8227	2.993	12	108.8227	8.958	12	108.8227	8.958	12	108.3791	8.914	18	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:1:1:1:	4:	3:4:	O-2:F-1:F-1:F-1:	B-4:	N[6]-3:B-4:	B(ON[6])(F)3	F(BFFO)	O(N[6]C[6,6a]C[6])(BF3)	B(ON[6])(F)3	F(BFFO)	O(N[6]C[6,6a]C[6])(BF3)	107.9530	2.584	3	107.9530	6.675	3	107.4920	9.184	6	108.3791	8.914	18	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:1:1:1:	4:	3:4:	O-2:F-1:F-1:F-1:	B-4:	N[6]-3:B-4:	B(ON[6])(F)3	F(BFFO)	O(N[6]C[6]2)(BF3)	B(ON[6])(F)3	F(BFFO)	O(N[6]C[6]2)(BF3)	107.0310	3.956	3	107.0310	15.647	3	107.4920	9.184	6	108.3791	8.914	18	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:1:1:1:	4:	4:4:	O-2:F-1:F-1:F-1:	B-4:	Ge[4]-4:B-4:	B(OGe[4])(F)3	F(BFFO)	O(Ge[4]N[4]2N)(BF3)	B(OGe[4])(F)3	F(BFFO)	O(Ge[4]N[4]2N)(BF3)	109.2065	0.678	6	109.2065	0.460	6	109.2065	0.460	6	109.1811	1.040	18	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:1:1:1:	4:	4:4:	O-2:F-1:F-1:F-1:	B-4:	P-4:B-4:	B(OP)(F)3	F(BFFO)	O(PCCH)(BF3)	B(OP)(F)3	F(BFFO)	O(PCCH)(BF3)	108.4347	0.682	3	108.4347	0.466	3	108.4347	0.466	3	109.1811	1.040	18	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:1:1:1:	4:	4:4:	O-2:F-1:F-1:F-1:	B-4:	P[5]-4:B-4:	B(OP[5])(F)3	F(BFFO)	O(P[5]C[5,6a]C[5]Rh)(BF3)	B(OP[5])(F)3	F(BFFO)	O(P[5]C[5,6a]C[5]Rh)(BF3)	109.2593	1.630	3	109.2593	2.657	3	109.2593	2.657	3	109.1811	1.040	18	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:1:1:1:	4:	4:4:	O-2:F-1:F-1:F-1:	B-4:	Si[4]-4:B-4:	B(OSi[4])(F)3	F(BFFO)	O(Si[4]N[4]2N)(BF3)	B(OSi[4])(F)3	F(BFFO)	O(Si[4]N[4]2N)(BF3)	109.4897	1.172	6	109.4897	1.374	6	109.4897	1.374	6	109.1811	1.040	18	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:1:1:	4:	3:4:	O-2:O-2:F-1:F-1:	B-4:	N-3:B-4:	B(ON)2(F)2	F(BFOO)	O(NC[5]Co)(BFFO)	B(ON)2(F)2	F(BFOO)	O(NC[5]Co)(BFFO)	107.1850	2.929	2	107.1850	8.578	2	107.8971	5.179	9	107.8971	5.179	9	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:1:1:	4:	3:4:	O-2:O-2:F-1:F-1:	B-4:	N-3:B-4:	B(ON)2(F)2	F(BFOO)	O(NC[6a]Ni)(BFFO)	B(ON)2(F)2	F(BFOO)	O(NC[6a]Ni)(BFFO)	108.1006	2.293	7	108.1006	5.259	7	107.8971	5.179	9	107.8971	5.179	9	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:1:1:	4:	4:3:	O-2:O-2:F-1:F-1:	B-4:	B-4:N-3:	B(ON)2(F)2	F(BFOO)	O(BFFO)(NCoC)	B(ON)2(F)2	F(BFOO)	O(BFFO)(NCoC)	107.6241	2.639	28	107.6241	6.963	28	107.3555	6.495	44	107.3555	6.495	44	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:1:1:	4:	4:3:	O-2:O-2:F-1:F-1:	B-4:	B-4:N-3:	B(ON)2(F)2	F(BFOO)	O(BFFO)(NFeC)	B(ON)2(F)2	F(BFOO)	O(BFFO)(NFeC)	106.8854	2.391	16	106.8854	5.716	16	107.3555	6.495	44	107.3555	6.495	44	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:1:1:	4:	4:4:	O-2:O-2:F-1:F-1:	B-4:	B-4:C-4:	B(OC)2(F)2	F(BFOO)	O(BFFO)(CH3)	B(OC)2(F)2	F(BFOO)	O(BFFO)(CH3)	108.4027	3.992	4	108.4027	15.937	4	108.4027	15.937	4	108.8473	2.248	47	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:1:1:	4:	4:4:	O-2:O-2:F-1:F-1:	B-4:	P-4:B-4:	B(OP)2(F)2	F(BFOO)	O(PC[6a]2Rh)(BFFO)	B(OP)2(F)2	F(BFOO)	O(PC[6a]2Rh)(BFFO)	108.6280	1.245	4	108.6280	1.551	4	108.8887	1.303	43	108.8473	2.248	47	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:1:1:	4:	4:4:	O-2:O-2:F-1:F-1:	B-4:	P-4:B-4:	B(OP)2(F)2	F(BFOO)	O(PC[6a]PdC)(BFFO)	B(OP)2(F)2	F(BFOO)	O(PC[6a]PdC)(BFFO)	109.0709	1.047	24	109.0709	1.097	24	108.8887	1.303	43	108.8473	2.248	47	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:1:1:	4:	4:4:	O-2:O-2:F-1:F-1:	B-4:	P-4:B-4:	B(OP)2(F)2	F(BFOO)	O(PPtOO)(BFFO)	B(OP)2(F)2	F(BFOO)	O(PPtOO)(BFFO)	108.6667	1.283	15	108.6667	1.646	15	108.8887	1.303	43	108.8473	2.248	47	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:2:1:	4:	4:3:	O-2:O-2:O-2:F-1:	B-4:	B-4:N-3:	B(ON)3(F)	F(BO3)	O(BFOO)(NCoC)	B(ON)3(F)	F(BO3)	O(BFOO)(NCoC)	107.2422	0.613	12	107.2422	0.376	12	107.8107	0.671	55	107.8107	0.671	55	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:2:2:1:	4:	4:3:	O-2:O-2:O-2:F-1:	B-4:	B-4:N-3:	B(ON)3(F)	F(BO3)	O(BFOO)(NFeC)	B(ON)3(F)	F(BO3)	O(BFOO)(NFeC)	107.9693	0.804	43	107.9693	0.646	43	107.8107	0.671	55	107.8107	0.671	55	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:4:1:1:	4:	3:4:	O-2:C-4:F-1:F-1:	B-4:	N[6]-3:B-4:	B(ON[6])(CCFF)(F)2	F(BCFO)	O(N[6]C[6]2)(BCFF)	B(ON[6])(CCFF)(F)2	F(BCFO)	O(N[6]C[6]2)(BCFF)	109.7900	0.846	2	109.7900	0.715	2	110.1230	0.514	4	110.1230	0.514	4	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	2:4:1:1:	4:	3:4:	O-2:C-4:F-1:F-1:	B-4:	N[6]-3:B-4:	B(ON[6])(CF3)(F)2	F(BCFO)	O(N[6]C[6]2)(BCFF)	B(ON[6])(CF3)(F)2	F(BCFO)	O(N[6]C[6]2)(BCFF)	110.4560	0.618	2	110.4560	0.382	2	110.1230	0.514	4	110.1230	0.514	4	108.2056	3.730	197	108.2056	3.730	197
610	830	893	0:SP3_SP-NON_SP3	B	F	O	3:2:1:1:	4:	4:4:	C[6a]-3:O-2:F-1:F-1:	B-4:	B-4:C-4:	B(C[6a]C[6a]2)(OC)(F)2	F(BC[6a]FO)	O(BC[6a]FF)(CH3)	B(C[6a]C[6a]2)(OC)(F)2	F(BC[6a]FO)	O(BC[6a]FF)(CH3)	109.9050	1.106	2	109.9050	1.223	2	109.9050	1.223	2	109.9050	1.223	2	108.2056	3.730	197	108.2056	3.730	197
610	830	897	0:SP3_SP-NON_SP3	B	F	O[4]	3:1:1:1:	4:	4:4:4:	O[4]-3:F-1:F-1:F-1:	B-4:	B[4]-4:B[4]-4:B-4:	B(O[4]B[4]2)(F)3	F(BO[4]FF)	O[4](B[4]O[4]FF)2(BF3)	B(O[4]B[4]2)(F)3	F(BO[4]FF)	O[4](B[4]O[4]FF)2(BF3){1|B<4>}	108.1063	1.403	3	108.1063	1.969	3	108.1063	1.969	3	108.1063	1.969	3	108.1063	1.969	3	108.1063	1.969	3
610	830	902	0:SP3_SP-NON_SP2	B	F	C[3]	3:1:1:1:	4:	3:3:4:	C[3]-3:F-1:F-1:F-1:	B-4:	C[3]-3:C[3]-3:B-4:	B(C[3]C[3]2)(F)3	F(BC[3]FF)	C[3](C[3]C[3]N)2(BF3)	B(C[3]C[3]2)(F)3	F(BC[3]FF)	C[3](C[3]C[3]N)2(BF3)	109.5315	1.282	6	109.5315	1.644	6	109.5315	1.644	6	109.5315	1.644	6	109.5315	1.644	6	109.5315	1.644	6
610	830	930	0:SP3_SP-NON_SP2	B	F	C	3:1:1:1:	4:	3:4:3:	C-3:F-1:F-1:F-1:	B-4:	C[6a]-3:B-4:N-3:	B(CC[6a]N)(F)3	F(BCFF)	C(C[6a]C[6a,6a]2)(BF3)(NCC)	B(CC[6a]N)(F)3	F(BCFF)	C(C[6a]C[6a,6a]2)(BF3)(NCC)	109.9177	5.252	3	109.9177	27.583	3	109.9177	27.583	3	109.9177	27.583	3	108.1681	13.128	7	108.1681	13.128	7
610	830	930	0:SP3_SP-NON_SP2	B	F	C	3:3:3:1:	4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:F-1:	B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(F)	F(BC[6a]2C)	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	F(BC[6a]2C)	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	108.1230	0.000	1	108.1230	0.000	1	106.7397	3.685	3	106.7397	3.685	3	108.1681	13.128	7	108.1681	13.128	7
610	830	930	0:SP3_SP-NON_SP2	B	F	C	3:3:3:1:	4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:F-1:	B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(F)	F(BC[6a]2C)	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	F(BC[6a]2C)	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	106.0480	2.121	2	106.0480	4.500	2	106.7397	3.685	3	106.7397	3.685	3	108.1681	13.128	7	108.1681	13.128	7
610	830	930	0:SP3_SP-NON_SP2	B	F	C	3:3:3:1:	4:	4:4:3:	C[6a]-3:C[6a]-3:C-3:F-1:	B-4:	B-4:P-4:C-3:	B(C[6a]C[6a]2)2(CCP)(F)	F(BC[6a]2C)	C(BC[6a]2F)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(F)	F(BC[6a]2C)	C(BC[6a]2F)(PC[6a]HH)(CCH)	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	108.1681	13.128	7	108.1681	13.128	7
610	830	941	0:SP3_SP-NON_SP2	B	F	N	2:1:1:1:	4:	2:4:	N-2:F-1:F-1:F-1:	B-4:	C-2:B-4:	B(NC)(F)3	F(BFFN)	N(CC[6a])(BF3)	B(NC)(F)3	F(BFFN)	N(CC[6a])(BF3)	105.6155	0.043	2	105.6155	0.002	2	105.6155	0.002	2	105.6155	0.002	2	105.6155	0.002	2	105.6155	0.002	2
610	830	951	0:SP3_SP-NON_SP-NON	B	F	H	1:1:1:1:	4:	4:	F-1:F-1:F-1:H-1:	B-4:	B-4:	B(F)3(H)	F(BFFH)	H(BF3)	B(F)3(H)	F(BFFH)	H(BF3)	110.7745	0.931	2	110.7745	0.867	2	110.7745	0.867	2	110.7745	0.867	2	110.7745	0.867	2	110.7745	0.867	2
610	830	956	0:SP3_SP-NON_SP2	B	F	N	3:1:1:1:	4:	3:4:1:	N-3:F-1:F-1:F-1:	B-4:	C-3:B-4:H-1:	B(NCH)(F)3	F(BFFN)	N(CC[6a]N)(BF3)(H)	B(NCH)(F)3	F(BFFN)	N(CC[6a]N)(BF3)(H)	109.3313	0.466	3	109.3313	0.217	3	109.3313	0.217	3	109.3313	0.217	3	108.6787	1.074	6	108.6787	1.074	6
610	830	956	0:SP3_SP-NON_SP2	B	F	N	3:1:1:1:	4:	3:4:4:	N-3:F-1:F-1:F-1:	B-4:	C[6]-3:C-4:B-4:	B(NC[6]C)(F)3	F(BFFN)	N(C[6]C[6]2)(CC[6a]HH)(BF3)	B(NC[6]C)(F)3	F(BFFN)	N(C[6]C[6]2)(CC[6a]HH)(BF3)	108.0260	1.091	3	108.0260	1.191	3	108.0260	1.191	3	108.0260	1.191	3	108.6787	1.074	6	108.6787	1.074	6
610	830	992	0:SP3_SP-NON_SP3	B	F	P	4:1:1:1:	4:	4:4:4:4:	P-4:F-1:F-1:F-1:	B-4:	B-4:C-4:C-4:C-4:	B(PC3)(F)3	F(BFFP)	P(BF3)(CH3)3	B(PC3)(F)3	F(BFFP)	P(BF3)(CH3)3	108.5290	0.122	2	108.5290	0.015	2	108.5290	0.015	2	108.2136	0.292	8	108.2136	0.292	8	108.2136	0.292	8
610	830	992	0:SP3_SP-NON_SP3	B	F	P	4:1:1:1:	4:	4:4:4:4:	P-4:F-1:F-1:F-1:	B-4:	C-4:C-4:C-4:B-4:	B(PC3)(F)3	F(BFFP)	P(CCHH)3(BF3)	B(PC3)(F)3	F(BFFP)	P(CCHH)3(BF3)	108.1085	0.594	6	108.1085	0.353	6	108.1085	0.353	6	108.2136	0.292	8	108.2136	0.292	8	108.2136	0.292	8
610	830	999	0:SP3_SP-NON_SP3	B	F	N[5,5,6]	4:1:1:1:	4:	3:4:4:4:	N[5,5,6]-4:F-1:F-1:F-1:	B-4:	C[5,5]-3:C[5,6]-4:C[5,6]-4:B-4:	B(N[5,5,6]C[5,5]C[5,6]2)(F)3	F(BN[5,5,6]FF)	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3)	B(N[5,5,6]C[5,5]C[5,6]2)(F)3	F(BN[5,5,6]FF)	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3){5|H<1>}	107.0990	1.121	2	107.0990	1.258	2	107.0990	1.258	2	107.0990	1.258	2	107.0990	1.258	2	107.0990	1.258	2
610	849	951	0:SP3_SP-NON_SP3	B	P[3x6]	H	4:1:1:1:	3:3:3:4:	4:	P[3x6]-4:H-1:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:B-4:	B-4:	B(P[3x6]N[6,6]3)(H)3	P[3x6](N[6,6]C[6,6]C)3(BH3)	H(BP[3x6]HH)	B(P[3x6]N[6,6]3)(H)3	P[3x6](N[6,6]C[6,6]C)3(BH3){1|P<4>,6|H<1>}	H(BP[3x6]HH)	109.4593	0.045	3	109.4593	0.002	3	109.4593	0.002	3	109.4593	0.002	3	108.4993	2.162	9	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[3x6]	H	4:1:1:1:	4:4:4:4:	4:	P[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	B-4:	B(P[3x6]C[6,6]3)(H)3	P[3x6](C[6,6]C[6,6]HH)3(BH3)	H(BP[3x6]HH)	B(P[3x6]C[6,6]3)(H)3	P[3x6](C[6,6]C[6,6]HH)3(BH3){1|Si<4>,6|H<1>}	H(BP[3x6]HH)	106.5463	0.249	3	106.5463	0.062	3	108.0193	2.629	6	108.0193	2.629	6	108.4993	2.162	9	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[3x6]	H	4:1:1:1:	4:4:4:4:	4:	P[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	B-4:	B(P[3x6]C[6,6]3)(H)3	P[3x6](C[6,6]N[6,6]HH)3(BH3)	H(BP[3x6]HH)	B(P[3x6]C[6,6]3)(H)3	P[3x6](C[6,6]N[6,6]HH)3(BH3){1|P<4>,3|C<4>}	H(BP[3x6]HH)	109.4923	0.021	3	109.4923	0.000	3	108.0193	2.629	6	108.0193	2.629	6	108.4993	2.162	9	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	2:2:4:2:	4:	P[6]-4:H-1:H-1:H-1:	O[6]-2:O[6]-2:B-4:O-2:	B-4:	B(P[6]O[6]2O)(H)3	P[6](O[6]C[6])2(BH3)(OC)	H(BP[6]HH)	B(P[6]O[6]2O)(H)3	P[6](O[6]C[6])2(BH3)(OC){1|C<4>,2|C<3>,2|H<1>}	H(BP[6]HH)	105.1127	2.604	6	105.1127	6.779	6	105.1127	6.779	6	105.1127	6.779	6	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	3:2:4:4:	4:	P[6]-4:H-1:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6]-4:B-4:	B-4:	B(P[6]C[6,6a]C[6]O[6])(H)3	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3)	H(BP[6]HH)	B(P[6]C[6,6a]C[6]O[6])(H)3	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3){3|C<4>,4|C<3>,4|H<1>}	H(BP[6]HH)	109.4680	0.047	7	109.4680	0.002	7	109.4680	0.002	7	109.4680	0.002	7	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	3:3:3:4:	4:	P[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:B-4:	B-4:	B(P[6]C[6,6a]2C[6a])(H)3	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(BH3)	H(BP[6]HH)	B(P[6]C[6,6a]2C[6a])(H)3	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(BH3){1|N<3>,4|H<1>,6|C<3>}	H(BP[6]HH)	105.5620	1.286	6	105.5620	1.654	6	105.5620	1.654	6	105.5620	1.654	6	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	3:3:4:4:	4:	P[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:B-4:	B-4:	B(P[6]C[6,6a]C[6a]B[6])(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3)	H(BP[6]HH)	B(P[6]C[6,6a]C[6a]B[6])(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3){2|C<4>,3|H<1>,5|C<3>}	H(BP[6]HH)	109.4820	0.024	2	109.4820	0.001	2	109.4820	0.001	2	109.4820	0.001	2	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	3:4:3:4:	4:	P[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:B-4:	B-4:	B(P[6]C[6,6a]C[6a]C[6])(H)3	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3)	H(BP[6]HH)	B(P[6]C[6,6a]C[6a]C[6])(H)3	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3){3|H<1>,6|C<3>}	H(BP[6]HH)	109.4865	0.043	6	109.4865	0.002	6	109.4865	0.002	6	109.4865	0.002	6	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	3:4:4:1:	4:	P[6]-4:H-1:H-1:H-1:	C[6,6a]-3:B[6]-4:B-4:H-1:	B-4:	B(P[6]C[6,6a]B[6]H)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(BH3)(H)	H(BP[6]HH)	B(P[6]C[6,6a]B[6]H)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(BH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(BP[6]HH)	109.4846	0.023	5	109.4846	0.001	5	109.4846	0.001	5	109.4846	0.001	5	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	3:4:4:4:	4:	P[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5]-4:B[6]-4:B-4:	B-4:	B(P[6]C[6,6a]B[6]C[5])(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[5]C[5]2Fe)(B[6]P[6]HH)(BH3)	H(BP[6]HH)	B(P[6]C[6,6a]B[6]C[5])(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[5]C[5]2Fe)(B[6]P[6]HH)(BH3){3|C<3>,3|H<1>,4|C<4>}	H(BP[6]HH)	109.4984	0.051	5	109.4984	0.003	5	109.4984	0.003	5	109.4838	0.002	8	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	3:4:4:4:	4:	P[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:B-4:	B-4:	B(P[6]C[6a]C[6]2)(H)3	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BH3)	H(BP[6]HH)	B(P[6]C[6a]C[6]2)(H)3	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BH3){1|P<4>,2|C<3>,6|H<1>}	H(BP[6]HH)	109.4593	0.028	3	109.4593	0.001	3	109.4593	0.001	3	109.4838	0.002	8	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	4:2:4:1:	4:	P[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:B-4:O-1:	B-4:	B(P[6]C[6]O[6]O)(H)3	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O)	H(BP[6]HH)	B(P[6]C[6]O[6]O)(H)3	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O){1|O<2>,2|C<4>,2|H<1>}	H(BP[6]HH)	109.4513	0.039	3	109.4513	0.001	3	109.4513	0.001	3	109.4513	0.001	3	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:1:1:1:	4:2:4:2:	4:	P[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:B-4:O-2:	B-4:	B(P[6]C[6]O[6]O)(H)3	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC)	H(BP[6]HH)	B(P[6]C[6]O[6]O)(H)3	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC){1|O<2>,2|C<4>,2|H<1>}	H(BP[6]HH)	109.4712	0.040	6	109.4712	0.002	6	109.4712	0.002	6	109.4712	0.002	6	108.0728	7.936	51	108.1367	7.043	60
610	849	951	0:SP3_SP-NON_SP3	B	P[6]	H	4:3:3:1:	3:4:4:4:	4:	P[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:B-4:	B-4:	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H)	H(BC[6a]2P[6])	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	H(BC[6a]2P[6])	98.5150	2.932	2	98.5150	8.595	2	98.5150	8.595	2	98.5150	8.595	2	108.0728	7.936	51	108.1367	7.043	60
610	854	930	0:SP3_SP2_SP3	B	N[3x6]	C	4:3:1:1:	4:4:4:4:	4:2:1:	N[3x6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	B-4:O-2:O-1:	B(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH)	C(BN[3x6]HH)(OC[6a])(O)	B(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH){3|C<4>}	C(BN[3x6]HH)(OC[6a])(O)	110.7850	0.000	1	110.7850	0.000	1	111.7130	1.722	2	111.7130	1.722	2	111.7130	1.722	2	111.7130	1.722	2
610	854	930	0:SP3_SP2_SP3	B	N[3x6]	C	4:3:1:1:	4:4:4:4:	4:2:1:	N[3x6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	B-4:O-2:O-1:	B(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH)	C(BN[3x6]HH)(OH)(O)	B(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH){3|C<4>}	C(BN[3x6]HH)(OH)(O)	112.6410	0.000	1	112.6410	0.000	1	111.7130	1.722	2	111.7130	1.722	2	111.7130	1.722	2	111.7130	1.722	2
610	854	951	0:SP3_SP-NON_SP3	B	N[3x6]	H	4:1:1:1:	4:4:4:4:	4:	N[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	B-4:	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	H(BN[3x6]HH)	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	H(BN[3x6]HH)	109.4825	0.031	6	109.4898	0.003	12	109.1057	1.920	13	109.1057	1.920	13	109.1261	1.547	16	108.4546	3.310	29
610	854	951	0:SP3_SP-NON_SP3	B	N[3x6]	H	4:1:1:1:	4:4:4:4:	4:	N[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	B-4:	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	H(BN[3x6]HH)	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	H(BN[3x6]HH)	109.4970	0.068	6	109.4898	0.003	12	109.1057	1.920	13	109.1057	1.920	13	109.1261	1.547	16	108.4546	3.310	29
610	854	951	0:SP3_SP-NON_SP3	B	N[3x6]	H	4:1:1:1:	4:4:4:4:	4:	N[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	B-4:	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(BH3)	H(BN[3x6]HH)	B(N[3x6]C[6,6]3)(H)3	N[3x6](C[6,6]C[6,6]HH)3(BH3){1|C<4>,6|H<1>}	H(BN[3x6]HH)	104.4970	0.000	1	104.4970	0.000	1	109.1057	1.920	13	109.1057	1.920	13	109.1261	1.547	16	108.4546	3.310	29
610	854	951	0:SP3_SP-NON_SP3	B	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	B-4:	B(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH)	H(BN[3x6]CH)	B(N[3x6]C[6,6]3)(COO)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH){3|C<4>}	H(BN[3x6]CH)	109.2143	0.256	3	109.2143	0.066	3	109.2143	0.066	3	109.2143	0.066	3	109.1261	1.547	16	108.4546	3.310	29
610	854	951	0:SP3_SP-NON_SP3	B	N[6,6]	H	4:1:1:1:	4:4:4:4:	4:	N[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	B-4:	B(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3)	H(BN[6,6]HH)	B(N[6,6]C[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3){2|C<4>,8|H<1>}	H(BN[6,6]HH)	107.6725	4.185	2	107.6725	17.517	2	107.6725	17.517	2	107.6725	17.517	2	107.6725	17.517	2	108.4546	3.310	29
610	854	951	0:SP3_SP-NON_SP3	B	N[6]	H	4:1:1:1:	4:4:4:1:	4:	N[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	B-4:	B(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(BH3)(H)	H(BN[6]HH)	B(N[6]C[6]2H)(H)3	N[6](C[6]C[6]HH)2(BH3)(H){1|C<4>,4|H<1>}	H(BN[6]HH)	106.4413	1.152	6	106.4413	1.327	6	106.4413	1.327	6	106.4413	1.327	6	107.6202	3.586	11	108.4546	3.310	29
610	854	951	0:SP3_SP-NON_SP3	B	N[6]	H	4:1:1:1:	4:4:4:4:	4:	N[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:Si-4:B-4:	B-4:	B(N[6]C[6]2Si)(H)3	N[6](C[6]C[6]HH)2(SiC3)(BH3)	H(BN[6]HH)	B(N[6]C[6]2Si)(H)3	N[6](C[6]C[6]HH)2(SiC3)(BH3){1|O<2>,4|H<1>}	H(BN[6]HH)	109.7583	1.862	3	109.7583	3.466	3	109.7583	3.466	3	109.7583	3.466	3	107.6202	3.586	11	108.4546	3.310	29
610	854	951	0:SP3_SP-NON_SP3	B	N[6]	H	4:3:3:1:	3:3:4:1:	4:	N[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:B-4:H-1:	B-4:	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H)	H(BC[6a]2N[6])	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H){1|C<4>,2|H<1>,4|C<3>}	H(BC[6a]2N[6])	107.9495	0.166	2	107.9495	0.028	2	107.9495	0.028	2	107.9495	0.028	2	107.6202	3.586	11	108.4546	3.310	29
610	856	856	0:SP3_SP2_SP2	B	N[6]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	C[6,6a]-3:C[6,6a]-3:B-4:	C[6,6a]-3:C[6,6a]-3:B-4:	B(N[6]C[6,6a]2)2(Cl)2	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2)	B(N[6]C[6,6a]2)2(Cl)2	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2){2|H<1>,5|C<3>}	108.8955	0.838	2	108.8955	0.702	2	108.8955	0.702	2	108.8955	0.702	2	108.5343	11.511	26	108.5343	11.511	26
610	856	856	0:SP3_SP2_SP2	B	N[6]	N[6]	3:3:3:1:	3:2:4:	3:2:4:	N[6]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:B-4:	C[6]-3:N[6]-2:B-4:	B(N[6]C[6]N[6])3(H)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	B(N[6]C[6]N[6])3(H)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	107.6415	2.418	6	107.6415	5.845	6	107.6415	5.845	6	107.6415	5.845	6	108.5343	11.511	26	108.5343	11.511	26
610	856	856	0:SP3_SP2_SP2	B	N[6]	N[6]	3:3:3:1:	3:3:4:	3:3:4:	N[6]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(N[6]C[6]2)3(H)	N[6](C[6]C[6]H)2(BN[6]2H)	N[6](C[6]C[6]H)2(BN[6]2H)	B(N[6]C[6]2)3(H)	N[6](C[6]C[6]H)2(BN[6]2H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BN[6]2H){1|C<3>,2|H<1>}	109.7157	0.471	3	109.7157	0.222	3	109.7157	0.222	3	109.7157	0.222	3	108.5343	11.511	26	108.5343	11.511	26
610	856	856	0:SP3_SP2_SP2	B	N[6]	N[6]	3:3:3:3:	3:3:4:	3:3:4:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(N[6]C[6]2)4	N[6](C[6]C[6]H)2(BN[6]3)	N[6](C[6]C[6]H)2(BN[6]3)	B(N[6]C[6]2)4	N[6](C[6]C[6]H)2(BN[6]3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BN[6]3){1|C<3>,2|H<1>}	109.5184	4.234	12	109.5184	17.925	12	109.5184	17.925	12	109.5184	17.925	12	108.5343	11.511	26	108.5343	11.511	26
610	856	856	0:SP3_SP2_SP2	B	N[6]	N[6]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:N[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	B-4:C[6]-3:C[6]-3:	B(C[6]B[3x3,3x5,12x6]C[6]H)(N[6]C[6]2)2(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2	N[6](BC[6]N[6]H)(C[6]C[6]H)2	B(C[6]B[3x3,3x5,12x6]C[6]H)(N[6]C[6]2)2(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	104.1370	0.000	1	104.1370	0.000	1	104.6575	0.542	2	104.6575	0.542	2	108.5343	11.511	26	108.5343	11.511	26
610	856	856	0:SP3_SP2_SP2	B	N[6]	N[6]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:N[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	B-4:C[6]-3:C[6]-3:	B(C[6]B[3x3,3x5,9x6]C[6]H)(N[6]C[6]2)2(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2	N[6](BC[6]N[6]H)(C[6]C[6]H)2	B(C[6]B[3x3,3x5,9x6]C[6]H)(N[6]C[6]2)2(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	105.1780	0.000	1	105.1780	0.000	1	104.6575	0.542	2	104.6575	0.542	2	108.5343	11.511	26	108.5343	11.511	26
610	856	856	0:SP3_SP2_SP2	B	N[6]	N[6]	6:3:3:1:	4:3:3:	4:3:3:	B[4x3,3x5,12x6]-6:N[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	B-4:C[6]-3:C[6]-3:	B(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(N[6]C[6]2)2(H)	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2	B(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(N[6]C[6]2)2(H)	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	105.5700	0.000	1	105.5700	0.000	1	105.5700	0.000	1	105.5700	0.000	1	108.5343	11.511	26	108.5343	11.511	26
610	856	892	0:SP3_SP2_SP3	B	N[6]	N	3:4:1:1:	3:3:4:	4:4:1:1:	N[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:B-4:H-1:H-1:	B(N[6]C[6]2)(NBHH)(H)2	N[6](C[6]C[6]H)2(BHHN)	N(BN[6]HH)(BH3)(H)2	B(N[6]C[6]2)(NBHH)(H)2	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	N(BN[6]HH)(BH3)(H)2	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	109.8430	1.585	4	109.8430	1.585	4
610	856	892	0:SP3_SP2_SP3	B	N[6]	N	3:4:1:1:	3:3:4:	4:4:4:1:	N[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:B-4:C-4:H-1:	B(N[6]C[6]2)(NBCH)(H)2	N[6](C[6]C[6]H)2(BHHN)	N(BN[6]HH)(BH3)(CC3)(H)	B(N[6]C[6]2)(NBCH)(H)2	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	N(BN[6]HH)(BH3)(CC3)(H)	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	109.8430	1.585	4	109.8430	1.585	4
610	856	892	0:SP3_SP2_SP3	B	N[6]	N	3:4:1:1:	3:3:4:	4:4:4:4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:B-4:C-4:C-4:	B(N[6]C[6]2)(NBCC)(H)2	N[6](C[6]C[6]H)2(BHHN)	N(BN[6]HH)(BH3)(CH3)2	B(N[6]C[6]2)(NBCC)(H)2	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	N(BN[6]HH)(BH3)(CH3)2	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	109.9850	3.575	2	109.8430	1.585	4	109.8430	1.585	4
610	856	892	0:SP3_SP2_SP3	B	N[6]	N	3:4:1:1:	3:3:4:	4:4:4:4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:C-4:C-4:C-4:	B(N[6]C[6]2)(NC3)(H)2	N[6](C[6]C[6]H)2(BHHN)	N(BN[6]HH)(CH3)3	B(N[6]C[6]2)(NC3)(H)2	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	N(BN[6]HH)(CH3)3	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	109.9850	3.575	2	109.8430	1.585	4	109.8430	1.585	4
610	856	893	0:SP3_SP2_SP2	B	N[6]	O	3:2:2:2:	3:3:4:	3:4:	N[6]-3:O-2:O-2:O-2:	C[6]-3:C[6]-3:B-4:	C[6a]-3:B-4:	B(N[6]C[6]2)(OC[6a])3	N[6](C[6]C[6]H)2(BO3)	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(BN[6]OO)	104.0875	1.294	15	104.0875	1.675	15	104.7277	4.588	18	104.7277	4.588	18	104.1560	6.137	21	104.1560	6.137	21
610	856	893	0:SP3_SP2_SP2	B	N[6]	O	3:2:2:2:	3:3:4:	3:4:	N[6]-3:O-2:O-2:O-2:	C[6]-3:C[6]-3:B-4:	C[6a]-3:B-4:	B(N[6]C[6]2)(OC[6a])3	N[6](C[6]C[6]H)2(BO3)	O(C[6a]C[6a]N[6a])(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(BN[6]OO)	107.9287	2.972	3	107.9287	8.834	3	104.7277	4.588	18	104.7277	4.588	18	104.1560	6.137	21	104.1560	6.137	21
610	856	893	0:SP3_SP2_SP2	B	N[6]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	N[6](C[6]C[6]H)2(BC[6a]2O)	O(BC[6a]2N[6])(CC[6a]O)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]2N[6])(CC[6a]O)	102.2650	0.000	1	102.2650	0.000	1	102.2650	0.000	1	102.2650	0.000	1	104.1560	6.137	21	104.1560	6.137	21
610	856	893	0:SP3_SP2_SP2	B	N[6]	O	3:4:4:2:	3:3:4:	4:3:	N[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:B-4:	B-4:C-3:	B(N[6]C[6]2)(CCHH)2(OC)	N[6](C[6]C[6]H)2(BCCO)	O(BN[6]CC)(CC[6a]O)	B(N[6]C[6]2)(CCHH)2(OC)	N[6](C[6]C[6]H)2(BCCO){1|C<3>,2|H<1>}	O(BN[6]CC)(CC[6a]O)	99.9562	0.102	2	99.9562	0.010	2	99.9562	0.010	2	99.9562	0.010	2	104.1560	6.137	21	104.1560	6.137	21
610	856	893	0:SP3_SP2_SP3	B	N[6]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:N[6]-3:O-2:H-1:	C[6]-3:C[6]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	N[6](C[6]C[6]H)2(BC[6a]HO)	O(BC[6a]N[6]H)(PC[6a]2O)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	N[6](C[6]C[6]H)2(BC[6a]HO){1|C<3>,2|H<1>}	O(BC[6a]N[6]H)(PC[6a]2O)	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	106.8920	0.032	2	106.8920	0.032	2
610	856	893	0:SP3_SP2_SP3	B	N[6]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:B-4:	B-4:P-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	N[6](C[6]C[6]H)2(BC[6a]2O)	O(BC[6a]2N[6])(PC[6a]2)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]2N[6])(PC[6a]2)	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	106.8920	0.032	2	106.8920	0.032	2
610	856	930	0:SP3_SP2_SP2	B	N[6]	C	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	B-4:C[6]-3:C[6]-3:	B-4:C-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	N[6](BC[6a]ClC)(C[6]C[6]H)2	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	112.3710	0.000	1	112.3710	0.000	1	112.3710	0.000	1	111.8157	0.344	4	109.3352	6.781	12	109.3352	6.781	12
610	856	930	0:SP3_SP2_SP2	B	N[6]	C	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	B-4:C[6]-3:C[6]-3:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	N[6](BC[6a]ClC)(C[6]C[6]H)2	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	111.4040	0.560	2	111.4040	0.314	2	111.6307	0.311	3	111.8157	0.344	4	109.3352	6.781	12	109.3352	6.781	12
610	856	930	0:SP3_SP2_SP2	B	N[6]	C	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	B-4:C[6]-3:C[6]-3:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	N[6](BC[6a]ClC)(C[6]C[6]H)2	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	112.0840	0.000	1	112.0840	0.000	1	111.6307	0.311	3	111.8157	0.344	4	109.3352	6.781	12	109.3352	6.781	12
610	856	930	0:SP3_SP2_SP2	B	N[6]	C	3:3:3:3:	3:3:4:	4:2:3:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:B-4:	B-4:S-2:C-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	N[6](C[6]C[6]H)2(BC[6a]2C)	C(BC[6a]2N[6])(SC[6a])(CCH)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	C(BC[6a]2N[6])(SC[6a])(CCH)	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	109.3352	6.781	12	109.3352	6.781	12
610	856	930	0:SP3_SP2_SP2	B	N[6]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C)	C(BC[6a]2N[6])(CC[6a]Si)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C){2|H<1>,3|C<3>}	C(BC[6a]2N[6])(CC[6a]Si)(H)	102.9250	0.000	1	102.9250	0.000	1	102.9250	0.000	1	102.9250	0.000	1	109.3352	6.781	12	109.3352	6.781	12
610	856	930	0:SP3_SP2_SP2	B	N[6]	C	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	N[6](C[6]C[6]H)2(BC[6a]CC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	109.1045	0.333	2	109.1045	0.111	2	109.1045	0.111	2	108.3030	1.983	3	109.3352	6.781	12	109.3352	6.781	12
610	856	930	0:SP3_SP2_SP2	B	N[6]	C	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:N-3:	C[6]-3:C[6]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	N[6](C[6]C[6]H)2(BC[6a]CN)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	N[6](C[6]C[6]H)2(BC[6a]CN){1|C<3>,2|H<1>}	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	106.7000	0.000	1	106.7000	0.000	1	106.7000	0.000	1	108.3030	1.983	3	109.3352	6.781	12	109.3352	6.781	12
610	856	930	0:SP3_SP2_SP2	B	N[6]	C	3:3:3:4:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:C-4:	C[6]-3:C[6]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	N[6](C[6]C[6]H)2(BC[6a]CC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.3352	6.781	12	109.3352	6.781	12
610	856	930	0:SP3_SP2_SP2	B	N[6]	C	3:3:4:3:	3:3:4:	4:3:1:	C[6a]-3:N[6]-3:C-4:C-3:	C[6]-3:C[6]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	N[6](C[6]C[6]H)2(BC[6a]CC)	C(BC[6a]N[6]C)(CCH)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C(BC[6a]N[6]C)(CCH)(H)	109.4235	0.122	2	109.4235	0.015	2	109.4235	0.015	2	109.4235	0.015	2	109.3352	6.781	12	109.3352	6.781	12
610	856	941	0:SP3_SP2_SP2	B	N[6]	N	3:2:2:2:	3:3:4:	4:2:	N[6]-3:N-2:N-2:N-2:	C[6,6a]-3:C[6]-3:B-4:	B-4:N-2:	B(N[6]C[6,6a]C[6])(NN)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3)	N(BN[6]NN)(NN)	B(N[6]C[6,6a]C[6])(NN)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3){2|H<1>,3|C<3>}	N(BN[6]NN)(NN)	108.4653	3.339	3	108.4653	11.146	3	108.4653	11.146	3	106.8155	8.484	6	106.4228	10.510	8	106.4228	10.510	8
610	856	941	0:SP3_SP2_SP2	B	N[6]	N	3:2:2:2:	3:3:4:	4:2:	N[6]-3:N-2:N-2:N-2:	C[6]-3:C[6]-3:B-4:	B-4:N-2:	B(N[6]C[6]2)(NN)3	N[6](C[6]C[6]H)2(BN3)	N(BN[6]NN)(NN)	B(N[6]C[6]2)(NN)3	N[6](C[6]C[6]H)2(BN3){1|N<3>,2|H<1>}	N(BN[6]NN)(NN)	105.1657	1.377	3	105.1657	1.897	3	105.1657	1.897	3	106.8155	8.484	6	106.4228	10.510	8	106.4228	10.510	8
610	856	941	0:SP3_SP2_SP2	B	N[6]	N	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:N[6]-3:N-2:N-2:	C[6]-3:C[6]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	N[6](C[6]C[6]H)2(BC[6a]NN)	N(BC[6a]N[6]N)(NN)	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	N[6](C[6]C[6]H)2(BC[6a]NN){1|C<3>,2|H<1>}	N(BC[6a]N[6]N)(NN)	105.2445	5.239	2	105.2445	27.447	2	105.2445	27.447	2	105.2445	27.447	2	106.4228	10.510	8	106.4228	10.510	8
610	856	945	0:SP3_SP2_SP3	B	N[6]	P	3:3:3:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:P-3:	C[6]-3:C[6]-3:B-4:	B-4:C[6]-4:C[6]-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	N[6](C[6]C[6]H)2(BC[6a]2P)	P(BC[6a]2N[6])(C[6]C[6]2H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	N[6](C[6]C[6]H)2(BC[6a]2P){1|C<3>,2|H<1>}	P(BC[6a]2N[6])(C[6]C[6]2H)2	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(BH3)	H(BN[6]HH)	B(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(BH3){1|C<3>,2|H<1>}	H(BN[6]HH)	105.9123	1.305	3	105.9123	1.704	3	108.7647	10.690	6	108.7647	10.690	6	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)2(BH3)	H(BN[6]HH)	B(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)2(BH3){1|C<3>,2|H<1>}	H(BN[6]HH)	111.6170	0.783	3	111.6170	0.613	3	108.7647	10.690	6	108.7647	10.690	6	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH)	H(BN[6]CH)	B(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH){1|C<3>,1|C<4>,1|H<1>}	H(BN[6]CH)	111.4235	0.542	2	111.4235	0.294	2	111.4235	0.294	2	109.3060	6.189	4	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:H-2:H-1:H-1:	C[5a,6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[5a,6]C[6])(HRh)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3)	H(BN[6]HH)	B(N[6]C[5a,6]C[6])(HRh)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3){1|Rh<5>,1|H<1>,3|C<3>}	H(BN[6]HH)	107.1885	0.581	2	107.1885	0.337	2	107.1885	0.337	2	109.3060	6.189	4	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(BC[6a]HH)	H(BC[6a]N[6]H)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	H(BC[6a]N[6]H)	105.8822	1.545	6	105.8822	2.388	6	105.8822	2.388	6	105.8822	2.388	6	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[6]-3:O-2:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	N[6](C[6]C[6]H)2(BC[6a]HO)	H(BC[6a]N[6]O)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	N[6](C[6]C[6]H)2(BC[6a]HO){1|C<3>,2|H<1>}	H(BC[6a]N[6]O)	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:3:3:1:	3:2:4:	4:	N[6]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:B-4:	B-4:	B(N[6]C[6]N[6])3(H)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	H(BN[6]3)	B(N[6]C[6]N[6])3(H)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	H(BN[6]3)	111.1975	8.925	6	111.1975	79.649	6	111.1975	79.649	6	111.1975	79.649	6	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(BC[6a]2H)	H(BC[6a]2N[6])	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(BC[6a]2H){1|C<3>,2|H<1>}	H(BC[6a]2N[6])	104.1360	1.105	2	104.1360	1.220	2	104.1360	1.220	2	107.1888	8.578	5	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[6]2)3(H)	N[6](C[6]C[6]H)2(BN[6]2H)	H(BN[6]3)	B(N[6]C[6]2)3(H)	N[6](C[6]C[6]H)2(BN[6]2H){1|C<3>,2|H<1>}	H(BN[6]3)	109.2240	1.007	3	109.2240	1.014	3	109.2240	1.014	3	107.1888	8.578	5	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	N[6](C[6]C[6]H)2(BC[6a]CH)	H(BC[6a]N[6]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	N[6](C[6]C[6]H)2(BC[6a]CH){1|C<3>,2|H<1>}	H(BC[6a]N[6]C)	102.6840	0.000	1	102.6840	0.000	1	102.6840	0.000	1	102.6840	0.000	1	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[6]2)(CCFF)(H)2	N[6](C[6]C[6]H)2(BCHH)	H(BN[6]CH)	B(N[6]C[6]2)(CCFF)(H)2	N[6](C[6]C[6]H)2(BCHH){1|C<3>,2|H<1>}	H(BN[6]CH)	108.2310	0.298	2	108.2310	0.089	2	108.2310	0.089	2	107.6064	2.553	10	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[6]2)(NBCC)(H)2	N[6](C[6]C[6]H)2(BHHN)	H(BN[6]HN)	B(N[6]C[6]2)(NBCC)(H)2	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	H(BN[6]HN)	106.8340	1.083	2	106.8340	1.174	2	107.4502	3.130	8	107.6064	2.553	10	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[6]2)(NBCH)(H)2	N[6](C[6]C[6]H)2(BHHN)	H(BN[6]HN)	B(N[6]C[6]2)(NBCH)(H)2	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	H(BN[6]HN)	106.2310	0.850	2	106.2310	0.722	2	107.4502	3.130	8	107.6064	2.553	10	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[6]2)(NBHH)(H)2	N[6](C[6]C[6]H)2(BHHN)	H(BN[6]HN)	B(N[6]C[6]2)(NBHH)(H)2	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	H(BN[6]HN)	107.0620	1.454	2	107.0620	2.114	2	107.4502	3.130	8	107.6064	2.553	10	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(N[6]C[6]2)(NC3)(H)2	N[6](C[6]C[6]H)2(BHHN)	H(BN[6]HN)	B(N[6]C[6]2)(NC3)(H)2	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	H(BN[6]HN)	109.6740	1.994	2	109.6740	3.976	2	107.4502	3.130	8	107.6064	2.553	10	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(BC[5]HH)	H(BC[5]N[6]H)	B(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(BC[5]HH){1|C<3>,2|H<1>}	H(BC[5]N[6]H)	105.3650	1.038	2	105.3650	1.078	2	105.3650	1.078	2	107.3665	5.701	4	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(C[6]N[6]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(BC[6]HH)	H(BC[6]N[6]H)	B(C[6]N[6]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(BC[6]HH){1|C<3>,2|H<1>}	H(BC[6]N[6]H)	109.3680	0.031	2	109.3680	0.001	2	109.3680	0.001	2	107.3665	5.701	4	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	B-4:	B(C[6]B[3x3,3x5,12x6]C[6]H)(N[6]C[6]2)2(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2	H(BC[6]N[6]2)	B(C[6]B[3x3,3x5,12x6]C[6]H)(N[6]C[6]2)2(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(BC[6]N[6]2)	108.2725	0.056	2	108.2725	0.003	2	108.2357	0.003	4	108.2357	0.003	4	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	B-4:	B(C[6]B[3x3,3x5,9x6]C[6]H)(N[6]C[6]2)2(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2	H(BC[6]N[6]2)	B(C[6]B[3x3,3x5,9x6]C[6]H)(N[6]C[6]2)2(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(BC[6]N[6]2)	108.1990	0.041	2	108.1990	0.002	2	108.2357	0.003	4	108.2357	0.003	4	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:B-4:	B-4:	B(C[5]C[5]2Mn)(N[6]C[6]2)(CC3)(H)	N[6](C[6]C[6]H)2(BC[5]CH)	H(BC[5]N[6]C)	B(C[5]C[5]2Mn)(N[6]C[6]2)(CC3)(H)	N[6](C[6]C[6]H)2(BC[5]CH){1|C<3>,2|H<1>}	H(BC[5]N[6]C)	103.7210	0.000	1	103.7210	0.000	1	103.7210	0.000	1	103.7210	0.000	1	107.8344	14.647	50	107.8344	14.647	50
610	856	951	0:SP3_SP-NON_SP2	B	N[6]	H	6:3:3:1:	4:3:3:	4:	B[4x3,3x5,12x6]-6:N[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	B-4:	B(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(N[6]C[6]2)2(H)	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2	H(BB[4x3,3x5,12x6]N[6]2)	B(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(N[6]C[6]2)2(H)	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(BB[4x3,3x5,12x6]N[6]2)	105.8060	0.035	2	105.8060	0.001	2	105.8060	0.001	2	105.8060	0.001	2	107.8344	14.647	50	107.8344	14.647	50
610	856	956	0:SP3_SP2_SP2	B	N[6]	N	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:N-3:	C[6]-3:C[6]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	N[6](C[6]C[6]H)2(BC[6a]CN)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	N[6](C[6]C[6]H)2(BC[6a]CN){1|C<3>,2|H<1>}	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1
610	856	983	0:SP3_SP1_SP2	B	N[6]	C	3:2:1:1:	3:3:4:	4:1:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:B-4:	B-4:N-1:	B(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH)	C(BN[6]HH)(N)	B(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH){1|C<3>,1|C<4>,1|H<1>}	C(BN[6]HH)(N)	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1
610	876	951	0:SP3_SP-NON_SP-NON	B	H	H	6:3:2:1:	4:4:	4:	C[5x3,5x5,20x6]-6:C[5]-3:H-2:H-1:	B-4:Si-4:	B-4:	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(HSi)(H)	H(BC[5x3,5x5,20x6]C[5]H)(SiC3)	H(BC[5x3,5x5,20x6]C[5]H)	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]N[5]2)(HSi)(H)	H(BC[5x3,5x5,20x6]C[5]H)(SiC3)	H(BC[5x3,5x5,20x6]C[5]H)	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1
610	880	880	0:SP3_SP3_SP3	B	Si	Si	4:4:4:3:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Si-4:O-3:	C[6a]-3:B-4:C-4:C-4:	C[6a]-3:B-4:C-4:C-4:	B(SiC[6a]CC)3(OLiC)	Si(C[6a]C[6a]2)(BSi2O)(CH3)2	Si(C[6a]C[6a]2)(BSi2O)(CH3)2	B(SiC[6a]CC)3(OLiC)	Si(C[6a]C[6a]2)(BSi2O)(CH3)2	Si(C[6a]C[6a]2)(BSi2O)(CH3)2	108.1503	1.760	3	108.1503	3.099	3	108.1503	3.099	3	108.1503	3.099	3	108.1503	3.099	3	108.1503	3.099	3
610	880	924	0:SP3_SP-NON_SP3	B	Si	Br	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:Si-4:Br-1:Br-1:	B-4:C[5]-3:Si-4:H-1:	B-4:	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	Si(BC[6a]Br2)(C[5]N[5]2)(SiC3)(H)	Br(BC[6a]BrSi)	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	Si(BC[6a]Br2)(C[5]N[5]2)(SiC3)(H)	Br(BC[6a]BrSi)	103.5755	3.973	2	103.5755	15.787	2	103.5755	15.787	2	103.5755	15.787	2	103.5755	15.787	2	103.5755	15.787	2
610	880	944	0:SP3_SP-NON_SP3	B	Si	I	4:1:1:1:	4:1:1:1:	4:	Si-4:I-1:I-1:I-1:	B-4:I-1:I-1:I-1:	B-4:	B(SiI3)(I)3	Si(BI3)(I)3	I(BSiII)	B(SiI3)(I)3	Si(BI3)(I)3	I(BSiII)	109.6023	1.122	3	109.6023	1.259	3	109.6023	1.259	3	109.6023	1.259	3	109.6023	1.259	3	109.6023	1.259	3
610	880	951	0:SP3_SP-NON_SP3	B	Si	H	4:1:1:1:	3:4:1:1:	4:	Si-4:H-1:H-1:H-1:	C[5]-3:B-4:H-1:H-1:	B-4:	B(SiC[5]HH)(H)3	Si(C[5]N[5]2)(BH3)(H)2	H(BSiHH)	B(SiC[5]HH)(H)3	Si(C[5]N[5]2)(BH3)(H)2	H(BSiHH)	108.1513	1.880	3	108.1513	3.536	3	108.1513	3.536	3	108.1513	3.536	3	108.1513	3.536	3	108.1513	3.536	3
610	887	924	0:SP3_SP-NON_SP3	B	S	Br	3:1:1:1:	3:4:4:	4:	S-3:Br-1:Br-1:Br-1:	C[6a]-3:B-4:C-4:	B-4:	B(SC[6a]C)(Br)3	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	Br(BBr2S)	B(SC[6a]C)(Br)3	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	Br(BBr2S)	106.7197	3.609	9	106.7197	13.028	9	106.7197	13.028	9	106.7197	13.028	9	106.2699	16.327	11	106.2699	16.327	11
610	887	924	0:SP3_SP-NON_SP3	B	S	Br	4:3:1:1:	4:4:4:	4:	B-4:S-3:Br-1:Br-1:	B-4:C-4:C-4:	B-4:	B(BBr2S)(SCC)(Br)2	S(BBr2B)(CH3)2	Br(BBrBS)	B(BBr2S)(SCC)(Br)2	S(BBr2B)(CH3)2	Br(BBrBS)	104.2459	7.002	2	104.2459	49.028	2	104.2459	49.028	2	104.2459	49.028	2	106.2699	16.327	11	106.2699	16.327	11
610	887	944	0:SP3_SP-NON_SP3	B	S	I	4:3:1:1:	4:4:4:	4:	B-4:S-3:I-1:I-1:	B-4:C-4:C-4:	B-4:	B(BIIS)(SCC)(I)2	S(BBII)(CH3)2	I(BBIS)	B(BIIS)(SCC)(I)2	S(BBII)(CH3)2	I(BBIS)	104.0740	8.198	2	104.0740	67.210	2	104.0740	67.210	2	104.0740	67.210	2	104.0740	67.210	2	104.0740	67.210	2
610	887	951	0:SP3_SP-NON_SP3	B	S	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:S-3:H-1:H-1:	B-4:C-4:C-4:	B-4:	B(C[6a]C[6a]2)(SCC)(H)2	S(BC[6a]HH)(CH3)2	H(BC[6a]HS)	B(C[6a]C[6a]2)(SCC)(H)2	S(BC[6a]HH)(CH3)2	H(BC[6a]HS)	103.2920	2.250	2	103.2920	5.063	2	103.2920	5.063	2	103.2920	5.063	2	104.7560	4.836	8	104.7560	4.836	8
610	887	951	0:SP3_SP-NON_SP3	B	S	H	4:3:1:1:	4:4:4:	4:	C[6]-4:S-3:H-1:H-1:	B-4:C-4:C-4:	B-4:	B(C[6]N[6]2H)(SCC)(H)2	S(BC[6]HH)(CH3)2	H(BC[6]HS)	B(C[6]N[6]2H)(SCC)(H)2	S(BC[6]HH)(CH3)2	H(BC[6]HS)	102.8110	1.138	2	102.8110	1.296	2	102.8110	1.296	2	105.2440	4.615	6	104.7560	4.836	8	104.7560	4.836	8
610	887	951	0:SP3_SP-NON_SP3	B	S	H	4:3:1:1:	4:4:4:	4:	P-4:S-3:H-1:H-1:	B-4:C-4:C-4:	B-4:	B(PBHH)(SCC)(H)2	S(BHHP)(CH3)2	H(BHPS)	B(PBHH)(SCC)(H)2	S(BHHP)(CH3)2	H(BHPS)	106.4605	1.158	4	106.4605	1.340	4	106.4605	1.340	4	105.2440	4.615	6	104.7560	4.836	8	104.7560	4.836	8
610	887	992	0:SP3_SP3_SP3	B	S	P	4:3:1:1:	4:4:4:	4:4:1:1:	P-4:S-3:H-1:H-1:	B-4:C-4:C-4:	B-4:B-4:H-1:H-1:	B(PBHH)(SCC)(H)2	S(BHHP)(CH3)2	P(BC[6a]3)(BHHS)(H)2	B(PBHH)(SCC)(H)2	S(BHHP)(CH3)2	P(BC[6a]3)(BHHS)(H)2	107.4020	0.000	2	107.4020	0.000	2	107.4020	0.000	2	107.4020	0.000	2	107.4020	0.000	2	107.4020	0.000	2
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	N-4:N-4:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:H-1:H-1:H-1:	B(NH3)2(H)2	N(BHHN)(H)3	N(BHHN)(H)3	B(NH3)2(H)2	N(BHHN)(H)3	N(BHHN)(H)3	110.4015	0.622	2	110.4015	0.386	2	110.4015	0.386	2	110.4015	0.386	2	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:H-1:H-1:H-1:	B(NBHH)(NH3)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(H)3	B(NBHH)(NH3)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(H)3	108.3347	0.055	3	108.3347	0.003	3	108.1467	0.143	4	108.1467	0.143	4	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:H-1:H-1:H-1:	B(NBHH)(NH3)(H)2	N(BHHN)(BHHP)(H)2	N(BHHN)(H)3	B(NBHH)(NH3)(H)2	N(BHHN)(BHHP)(H)2	N(BHHN)(H)3	107.5830	0.000	1	107.5830	0.000	1	108.1467	0.143	4	108.1467	0.143	4	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:N-4:Cl-1:Cl-1:	B-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B(NCHH)2(Cl)2	N(BCl2N)(CH3)(H)2	N(BCl2N)(CH3)(H)2	B(NCHH)2(Cl)2	N(BCl2N)(CH3)(H)2	N(BCl2N)(CH3)(H)2	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	108.6423	0.667	13	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B(NBHH)2(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(BH3)(H)2	B(NBHH)2(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(BH3)(H)2	108.6207	0.180	3	108.6207	0.033	3	108.5183	0.239	7	108.6423	0.667	13	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B(NBHH)2(H)2	N(BHHN)(BH3)(H)2	N(BHHN)2(H)2	B(NBHH)2(H)2	N(BHHN)(BH3)(H)2	N(BHHN)2(H)2	108.4415	0.662	4	108.4415	0.439	4	108.5183	0.239	7	108.6423	0.667	13	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B(NBHH)(NCHH)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(CH3)(H)2	B(NBHH)(NCHH)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(CH3)(H)2	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	108.6423	0.667	13	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B(NBHH)(NCHH)(H)2	N(BHHN)(CCCH)(H)2	N(BHHN)(BH3)(H)2	B(NBHH)(NCHH)(H)2	N(BHHN)(CCCH)(H)2	N(BHHN)(BH3)(H)2	108.6280	0.000	1	108.6280	0.000	1	109.3170	0.949	2	108.6423	0.667	13	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B(NBHH)(NCHH)(H)2	N(BHHN)(CCHH)(H)2	N(BHHN)(BH3)(H)2	B(NBHH)(NCHH)(H)2	N(BHHN)(CCHH)(H)2	N(BHHN)(BH3)(H)2	110.0060	0.000	1	110.0060	0.000	1	109.3170	0.949	2	108.6423	0.667	13	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B(NCHH)2(H)2	N(BHHN)(CH3)(H)2	N(BHHN)(CH3)(H)2	B(NCHH)2(H)2	N(BHHN)(CH3)(H)2	N(BHHN)(CH3)(H)2	107.7935	0.343	2	107.7935	0.118	2	107.7935	0.118	2	108.6423	0.667	13	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:C-4:C-4:H-1:	B(NBHH)(NCCH)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(CH3)2(H)	B(NBHH)(NCCH)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(CH3)2(H)	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	108.8200	0.343	2	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	N-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B(NBCH)(NCHH)(H)2	N(BHHN)(CH3)(H)2	N(BHHN)2(CH3)(H)	B(NBCH)(NCHH)(H)2	N(BHHN)(CH3)(H)2	N(BHHN)2(CH3)(H)	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.8200	0.343	2	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B(NBHH)(NC3)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(CCHH)3	B(NBHH)(NC3)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(CCHH)3	111.4230	0.000	1	111.4230	0.000	1	110.9950	0.366	2	110.9950	0.366	2	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B(NBHH)(NC3)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(CH3)3	B(NBHH)(NC3)(H)2	N(BHHN)(BH3)(H)2	N(BHHN)(CH3)3	110.5670	0.000	1	110.5670	0.000	1	110.9950	0.366	2	110.9950	0.366	2	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:4:1:	4:4:1:1:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:C-4:H-1:H-1:	B(NBCH)(NCHH)(H)2	N(BHHN)(BH3)(CH3)(H)	N(BHHN)(CH3)(H)2	B(NBCH)(NCHH)(H)2	N(BHHN)(BH3)(CH3)(H)	N(BHHN)(CH3)(H)2	109.1200	0.031	2	109.1200	0.001	2	109.2800	0.077	3	109.2800	0.077	3	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:4:1:	4:4:1:1:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:C-4:H-1:H-1:	B(NBCH)(NCHH)(H)2	N(BIrHH)(BHHN)(CH3)(H)	N(BHHN)(CH3)(H)2	B(NBCH)(NCHH)(H)2	N(BIrHH)(BHHN)(CH3)(H)	N(BHHN)(CH3)(H)2	109.6000	0.000	1	109.6000	0.000	1	109.2800	0.077	3	109.2800	0.077	3	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:B-4:C-4:H-1:	B(NBCH)2(H)2	N(BHHN)(BH3)(CH3)(H)	N(BHHN)2(CH3)(H)	B(NBCH)2(H)2	N(BHHN)(BH3)(CH3)(H)	N(BHHN)2(CH3)(H)	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:4:4:	4:1:1:1:	N-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:H-1:H-1:H-1:	B(NC3)(NH3)(H)2	N(BHHN)(CCHH)3	N(BHHN)(H)3	B(NC3)(NH3)(H)2	N(BHHN)(CCHH)3	N(BHHN)(H)3	112.0180	0.000	1	112.0180	0.000	1	112.0180	0.000	1	112.0180	0.000	1	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:4:4:	4:4:4:1:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:C-4:	B-4:C-4:C-4:H-1:	B(NBCC)(NCCH)(H)2	N(BHHN)(BH3)(CH3)2	N(BHHN)(CCCH)2(H)	B(NBCC)(NCCH)(H)2	N(BHHN)(BH3)(CH3)2	N(BHHN)(CCCH)2(H)	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:1:1:	4:4:4:4:	4:4:4:4:	N-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:C-4:C-4:C-4:	B(NC3)2(H)2	N(BHHN)(CCHH)3	N(BHHN)(CCHH)3	B(NC3)2(H)2	N(BHHN)(CCHH)3	N(BHHN)(CCHH)3	120.7950	0.000	1	120.7950	0.000	1	120.7950	0.000	1	120.7950	0.000	1	109.5174	5.508	33	109.5174	5.508	33
610	892	892	0:SP3_SP3_SP3	B	N	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	N-4:N-4:N-4:H-1:	B-4:B-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B(NBHH)3(H)	N(BHNN)(BH3)(H)2	N(BHNN)(BH3)(H)2	B(NBHH)3(H)	N(BHNN)(BH3)(H)2	N(BHNN)(BH3)(H)2	108.6847	1.026	3	108.6847	1.053	3	108.6847	1.053	3	108.6847	1.053	3	109.5174	5.508	33	109.5174	5.508	33
610	892	893	0:SP3_SP2_SP3	B	N	O	3:3:4:2:	4:4:1:1:	4:3:	C[6a]-3:C[6a]-3:N-4:O-2:	B-4:C-4:H-1:H-1:	B-4:C-3:	B(C[6a]C[6a]2)2(NCHH)(OC)	N(BC[6a]2O)(CC[6a]HH)(H)2	O(BC[6a]2N)(CCO)	B(C[6a]C[6a]2)2(NCHH)(OC)	N(BC[6a]2O)(CC[6a]HH)(H)2	O(BC[6a]2N)(CCO)	108.2513	1.074	3	108.2513	1.153	3	108.0413	0.945	4	108.0413	0.945	4	106.5661	4.767	7	106.5661	4.767	7
610	892	893	0:SP3_SP2_SP3	B	N	O	3:3:4:2:	4:4:1:1:	4:3:	C[6a]-3:C[6a]-3:N-4:O-2:	B-4:C-4:H-1:H-1:	B-4:C-3:	B(C[6a]C[6a]2)2(NCHH)(OC)	N(BC[6a]2O)(CC[6a]HH)(H)2	O(BC[6a]2N)(CC[6a]O)	B(C[6a]C[6a]2)2(NCHH)(OC)	N(BC[6a]2O)(CC[6a]HH)(H)2	O(BC[6a]2N)(CC[6a]O)	107.4110	0.000	1	107.4110	0.000	1	108.0413	0.945	4	108.0413	0.945	4	106.5661	4.767	7	106.5661	4.767	7
610	892	893	0:SP3_SP2_SP3	B	N	O	4:2:1:1:	4:1:1:1:	4:3:	N-4:O-2:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:C-3:	B(NH3)(OC)(H)2	N(BHHO)(H)3	O(BHHN)(CCO)	B(NH3)(OC)(H)2	N(BHHO)(H)3	O(BHHN)(CCO)	102.6920	0.000	1	102.6920	0.000	1	102.6920	0.000	1	102.6920	0.000	1	106.5661	4.767	7	106.5661	4.767	7
610	892	893	0:SP3_SP2_SP3	B	N	O	4:2:1:1:	4:4:4:4:	4:3:	N-4:O-2:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:B-3:	B(NC3)(OB)(H)2	N(BHHO)(CCHH)3	O(BHHN)(BCN)	B(NC3)(OB)(H)2	N(BHHO)(CCHH)3	O(BHHN)(BCN)	105.5910	0.000	1	105.5910	0.000	1	105.5910	0.000	1	105.5530	0.003	2	106.5661	4.767	7	106.5661	4.767	7
610	892	893	0:SP3_SP2_SP3	B	N	O	4:2:1:1:	4:4:4:4:	4:3:	N-4:O-2:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:C-3:	B(NC3)(OC)(H)2	N(BHHO)(CH3)3	O(BHHN)(CHO)	B(NC3)(OC)(H)2	N(BHHO)(CH3)3	O(BHHN)(CHO)	105.5150	0.000	1	105.5150	0.000	1	105.5150	0.000	1	105.5530	0.003	2	106.5661	4.767	7	106.5661	4.767	7
610	892	893	0:SP3_SP3_SP3	B	N	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:N-4:O-2:	B-4:C-4:H-1:H-1:	B-4:H-1:	B(C[6a]C[6a]2)2(NCHH)(OH)	N(BC[6a]2O)(CC[6a]HH)(H)2	O(BC[6a]2N)(H)	B(C[6a]C[6a]2)2(NCHH)(OH)	N(BC[6a]2O)(CC[6a]HH)(H)2	O(BC[6a]2N)(H)	101.1990	0.000	1	101.1990	0.000	1	101.1990	0.000	1	101.1990	0.000	1	104.1805	17.779	2	104.1805	17.779	2
610	892	893	0:SP3_SP3_SP3	B	N	O	4:2:1:1:	4:4:4:4:	4:4:	N-4:O-2:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:S-4:	B(NC3)(OS)(H)2	N(BHHO)(CH3)3	O(BHHN)(SCOO)	B(NC3)(OS)(H)2	N(BHHO)(CH3)3	O(BHHN)(SCOO)	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	104.1805	17.779	2	104.1805	17.779	2
610	892	909	0:SP3_SP2_SP3	B	N	S	2:4:1:1:	4:4:1:1:	3:4:	S-2:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:B-4:	B(SC[6a])(NCHH)(H)2	N(BHHS)(CH3)(H)2	S(C[6a]C[6a]2)(BHHN)	B(SC[6a])(NCHH)(H)2	N(BHHS)(CH3)(H)2	S(C[6a]C[6a]2)(BHHN)	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1	110.4647	1.446	11	110.4647	1.446	11
610	892	909	0:SP3_SP2_SP3	B	N	S	2:4:1:1:	4:4:4:1:	3:4:	S-2:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	C[6a]-3:B-4:	B(SC[6a])(NCCH)(H)2	N(BHHS)(CCCH)2(H)	S(C[6a]C[6a]2)(BHHN)	B(SC[6a])(NCCH)(H)2	N(BHHS)(CCCH)2(H)	S(C[6a]C[6a]2)(BHHN)	109.5717	0.257	3	109.5717	0.066	3	110.0708	0.783	8	110.0708	0.783	8	110.4647	1.446	11	110.4647	1.446	11
610	892	909	0:SP3_SP2_SP3	B	N	S	2:4:1:1:	4:4:4:1:	3:4:	S-2:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	C[6a]-3:B-4:	B(SC[6a])(NCCH)(H)2	N(BHHS)(CH3)2(H)	S(C[6a]C[6a]2)(BHHN)	B(SC[6a])(NCCH)(H)2	N(BHHS)(CH3)2(H)	S(C[6a]C[6a]2)(BHHN)	110.3702	1.019	5	110.3702	1.038	5	110.0708	0.783	8	110.0708	0.783	8	110.4647	1.446	11	110.4647	1.446	11
610	892	909	0:SP3_SP2_SP3	B	N	S	2:4:1:1:	4:4:4:4:	3:4:	S-2:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C[6a]-3:B-4:	B(SC[6a])(NC3)(H)2	N(BHHS)(CH3)3	S(C[6a]C[6a]2)(BHHN)	B(SC[6a])(NC3)(H)2	N(BHHS)(CH3)3	S(C[6a]C[6a]2)(BHHN)	112.3730	0.107	2	112.3730	0.012	2	112.3730	0.012	2	112.3730	0.012	2	110.4647	1.446	11	110.4647	1.446	11
610	892	909	0:SP3_SP3_SP3	B	N	S	4:2:1:1:	4:4:4:4:	4:4:	N-4:S-2:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:C-4:	B(NC3)(SC)(H)2	N(BHHS)(CH3)3	S(BHHN)(CC3)	B(NC3)(SC)(H)2	N(BHHS)(CH3)3	S(BHHN)(CC3)	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1
610	892	916	0:SP3_SP3_SP3	B	N	O[5]	3:4:1:1:	4:1:1:1:	4:4:4:	O[5]-3:N-4:H-1:H-1:	B-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:B-4:	B(O[5]C[5]2)(NH3)(H)2	N(BO[5]HH)(H)3	O[5](C[5]C[5]HH)2(BHHN)	B(O[5]C[5]2)(NH3)(H)2	N(BO[5]HH)(H)3	O[5](C[5]C[5]HH)2(BHHN){4|H<1>}	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1
610	892	924	0:SP3_SP-NON_SP3	B	N	Br	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:Br-1:Br-1:	B-4:C-4:C-4:H-1:	B-4:	B(C[6a]C[6a]2)(NCCH)(Br)2	N(BC[6a]Br2)(CH3)2(H)	Br(BC[6a]BrN)	B(C[6a]C[6a]2)(NCCH)(Br)2	N(BC[6a]Br2)(CH3)2(H)	Br(BC[6a]BrN)	106.1695	0.158	2	106.1695	0.025	2	106.1695	0.025	2	106.1695	0.025	2	107.1197	2.721	3	107.1197	2.721	3
610	892	924	0:SP3_SP-NON_SP3	B	N	Br	4:1:1:1:	4:4:4:4:	4:	N-4:Br-1:Br-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)(Br)2(H)	N(BBr2H)(CH3)3	Br(BBrHN)	B(NC3)(Br)2(H)	N(BBr2H)(CH3)3	Br(BBrHN)	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	107.1197	2.721	3	107.1197	2.721	3
610	892	930	0:SP3_SP2_SP3	B	N	C	4:3:1:1:	4:4:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C[3x6]-4:B-4:H-1:H-1:	B-4:O-2:O-1:	B(NC[3x6]HH)(COO)(H)2	N(C[3x6]C[6,6]3)(BCHH)(H)2	C(BHHN)(OH)(O)	B(NC[3x6]HH)(COO)(H)2	N(C[3x6]C[6,6]3)(BCHH)(H)2	C(BHHN)(OH)(O)	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1
610	892	951	0:SP3_SP-NON_SP3	B	N	H	2:4:1:1:	4:4:1:1:	4:	S-2:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:	B(SC[6a])(NCHH)(H)2	N(BHHS)(CH3)(H)2	H(BHNS)	B(SC[6a])(NCHH)(H)2	N(BHHS)(CH3)(H)2	H(BHNS)	106.1655	1.993	2	106.1655	3.973	2	106.1655	3.973	2	106.1655	3.973	2	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	2:4:1:1:	4:4:4:1:	4:	S-2:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	B-4:	B(SC[6a])(NCCH)(H)2	N(BHHS)(CCCH)2(H)	H(BHNS)	B(SC[6a])(NCCH)(H)2	N(BHHS)(CCCH)2(H)	H(BHNS)	108.7180	1.565	6	108.7180	2.449	6	108.0231	2.809	16	108.0231	2.809	16	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	2:4:1:1:	4:4:4:1:	4:	S-2:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	B-4:	B(SC[6a])(NCCH)(H)2	N(BHHS)(CH3)2(H)	H(BHNS)	B(SC[6a])(NCCH)(H)2	N(BHHS)(CH3)2(H)	H(BHNS)	107.6062	1.675	10	107.6062	2.805	10	108.0231	2.809	16	108.0231	2.809	16	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	2:4:1:1:	4:4:4:4:	4:	S-2:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(SC[6a])(NC3)(H)2	N(BHHS)(CH3)3	H(BHNS)	B(SC[6a])(NC3)(H)2	N(BHHS)(CH3)3	H(BHNS)	107.0842	0.646	4	107.0842	0.417	4	107.0842	0.417	4	107.0842	0.417	4	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	B-4:H-1:H-1:H-1:	B-4:	B(C[6a]C[6a]2)2(NH3)(H)	N(BC[6a]2H)(H)3	H(BC[6a]2N)	B(C[6a]C[6a]2)2(NH3)(H)	N(BC[6a]2H)(H)3	H(BC[6a]2N)	105.2090	0.000	1	105.2090	0.000	1	105.2090	0.000	1	105.2090	0.000	1	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:4:1:1:	4:1:1:1:	4:	O[5]-3:N-4:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:	B(O[5]C[5]2)(NH3)(H)2	N(BO[5]HH)(H)3	H(BO[5]HN)	B(O[5]C[5]2)(NH3)(H)2	N(BO[5]HH)(H)3	H(BO[5]HN)	110.1990	0.017	2	110.1990	0.000	2	110.1990	0.000	2	110.1990	0.000	2	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:N-4:Cl-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(C[5]N[5]2)(NBHH)(Cl)(H)	N(BC[5]ClH)(BC[6a]3)(H)2	H(BC[5]ClN)	B(C[5]N[5]2)(NBHH)(Cl)(H)	N(BC[5]ClH)(BC[6a]3)(H)2	H(BC[5]ClN)	105.8820	0.000	1	105.8820	0.000	1	105.8820	0.000	1	107.9080	3.495	3	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(N[6]C[6]2)(NBHH)(H)2	N(BN[6]HH)(BH3)(H)2	H(BN[6]HN)	B(N[6]C[6]2)(NBHH)(H)2	N(BN[6]HH)(BH3)(H)2	H(BN[6]HN)	108.9210	0.912	2	108.9210	0.832	2	108.9210	0.832	2	107.9080	3.495	3	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(C[5]N[5]2)(NBCH)(H)2	N(BC[5]HH)(BH3)(CC3)(H)	H(BC[5]HN)	B(C[5]N[5]2)(NBCH)(H)2	N(BC[5]HH)(BH3)(CC3)(H)	H(BC[5]HN)	110.8020	0.413	2	110.8020	0.171	2	110.0392	2.733	4	109.7305	1.870	6	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(C[5]N[5]2)(NBCH)(H)2	N(BC[5]HH)(BH3)(CH3)(H)	H(BC[5]HN)	B(C[5]N[5]2)(NBCH)(H)2	N(BC[5]HH)(BH3)(CH3)(H)	H(BC[5]HN)	109.2765	2.388	2	109.2765	5.702	2	110.0392	2.733	4	109.7305	1.870	6	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(N[6]C[6]2)(NBCH)(H)2	N(BN[6]HH)(BH3)(CC3)(H)	H(BN[6]HN)	B(N[6]C[6]2)(NBCH)(H)2	N(BN[6]HH)(BH3)(CC3)(H)	H(BN[6]HN)	109.1130	0.064	2	109.1130	0.004	2	109.1130	0.004	2	109.7305	1.870	6	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(C[6a]C[6a]2)(NC3)(H)2	N(BC[6a]HH)(CH3)3	H(BC[6a]HN)	B(C[6a]C[6a]2)(NC3)(H)2	N(BC[6a]HH)(CH3)3	H(BC[6a]HN)	109.2785	0.011	2	109.2785	0.000	2	109.2785	0.000	2	110.0040	3.214	6	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:N-4:H-1:H-1:	B-4:B-4:C-4:C-4:	B-4:	B(N[6]C[6]2)(NBCC)(H)2	N(BN[6]HH)(BH3)(CH3)2	H(BN[6]HN)	B(N[6]C[6]2)(NBCC)(H)2	N(BN[6]HH)(BH3)(CH3)2	H(BN[6]HN)	108.8510	0.052	2	108.8510	0.003	2	108.8510	0.003	2	110.0040	3.214	6	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(N[6]C[6]2)(NC3)(H)2	N(BN[6]HH)(CH3)3	H(BN[6]HN)	B(N[6]C[6]2)(NC3)(H)2	N(BN[6]HH)(CH3)3	H(BN[6]HN)	111.8825	2.302	2	111.8825	5.298	2	111.8825	5.298	2	110.0040	3.214	6	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	3:4:1:1:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:B-4:H-1:H-1:	B-4:	B(NC[6a]HH)(H)3	N(C[6a]C[6a]2)(BH3)(H)2	H(BHHN)	B(NC[6a]HH)(H)3	N(C[6a]C[6a]2)(BH3)(H)2	H(BHHN)	106.9573	1.450	3	106.9573	2.103	3	106.9573	2.103	3	106.9573	2.103	3	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:1:1:1:	4:	N-4:Cl-1:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:	B(NH3)(Cl)(H)2	N(BClHH)(H)3	H(BClHN)	B(NH3)(Cl)(H)2	N(BClHH)(H)3	H(BClHN)	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	109.3585	0.055	4	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:1:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:	B(NH3)(H)3	N(BH3)(H)3	H(BHHN)	B(NH3)(H)3	N(BH3)(H)3	H(BHHN)	109.4757	0.016	3	109.4757	0.000	3	109.4757	0.000	3	109.3585	0.055	4	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:3:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:N-3:H-1:H-1:	B-4:	B(NHHN)(H)3	N(BH3)(NHH)(H)2	H(BHHN)	B(NHHN)(H)3	N(BH3)(NHH)(H)2	H(BHHN)	107.3867	1.028	3	107.3867	1.056	3	107.3867	1.056	3	107.3867	1.056	3	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)(H)3	N(BC3)(BH3)(H)2	H(BHHN)	B(NBHH)(H)3	N(BC3)(BH3)(H)2	H(BHHN)	109.4147	0.199	3	109.4147	0.039	3	108.5940	1.632	66	108.6751	1.491	77	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)(H)3	N(BHHN)(BH3)(H)2	H(BHHN)	B(NBHH)(H)3	N(BHHN)(BH3)(H)2	H(BHHN)	108.5304	1.389	51	108.5304	1.928	51	108.5940	1.632	66	108.6751	1.491	77	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)(H)3	N(BHNN)(BH3)(H)2	H(BHHN)	B(NBHH)(H)3	N(BHNN)(BH3)(H)2	H(BHHN)	108.4907	0.726	9	108.4907	0.527	9	108.5940	1.632	66	108.6751	1.491	77	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)(H)3	N(BN[6]HH)(BH3)(H)2	H(BHHN)	B(NBHH)(H)3	N(BN[6]HH)(BH3)(H)2	H(BHHN)	109.1650	1.020	3	109.1650	1.041	3	108.5940	1.632	66	108.6751	1.491	77	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:	B(NCHH)(H)3	N(BH3)(CH3)(H)2	H(BHHN)	B(NCHH)(H)3	N(BH3)(CH3)(H)2	H(BHHN)	107.8510	0.031	2	107.8510	0.001	2	107.8510	0.001	2	108.6751	1.491	77	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B[6a]-4:B-4:H-1:H-1:	B-4:	B(NB[6a]HH)(H)3	N(B[6a]N[6a]2H)(BH3)(H)2	H(BHHN)	B(NB[6a]HH)(H)3	N(B[6a]N[6a]2H)(BH3)(H)2	H(BHHN)	109.4680	0.036	3	109.4680	0.001	3	109.4680	0.001	3	108.6751	1.491	77	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:B-4:H-1:H-1:	B-4:	B(NCHH)(H)3	N(CCHH)(BH3)(H)2	H(BHHN)	B(NCHH)(H)3	N(CCHH)(BH3)(H)2	H(BHHN)	109.4458	0.011	6	109.4458	0.000	6	109.4458	0.000	6	108.6751	1.491	77	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)(H)3	N(BC[5]HH)(BH3)(CC3)(H)	H(BHHN)	B(NBCH)(H)3	N(BC[5]HH)(BH3)(CC3)(H)	H(BHHN)	107.3307	1.825	3	107.3307	3.331	3	108.3670	3.126	29	108.3717	3.128	36	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)(H)3	N(BC[5]HH)(BH3)(CH3)(H)	H(BHHN)	B(NBCH)(H)3	N(BC[5]HH)(BH3)(CH3)(H)	H(BHHN)	106.6580	1.510	3	106.6580	2.280	3	108.3670	3.126	29	108.3717	3.128	36	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)(H)3	N(BH3)2(CH3)(H)	H(BHHN)	B(NBCH)(H)3	N(BH3)2(CH3)(H)	H(BHHN)	108.7745	1.459	12	108.7745	2.128	12	108.3670	3.126	29	108.3717	3.128	36	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)(H)3	N(BHHN)(BH3)(CH3)(H)	H(BHHN)	B(NBCH)(H)3	N(BHHN)(BH3)(CH3)(H)	H(BHHN)	109.0490	0.836	8	109.0490	0.700	8	108.3670	3.126	29	108.3717	3.128	36	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)(H)3	N(BN[6]HH)(BH3)(CC3)(H)	H(BHHN)	B(NBCH)(H)3	N(BN[6]HH)(BH3)(CC3)(H)	H(BHHN)	107.6640	3.796	3	107.6640	14.407	3	108.3670	3.126	29	108.3717	3.128	36	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	B-4:	B(NCCH)(H)3	N(BH3)(CH3)2(H)	H(BHHN)	B(NCCH)(H)3	N(BH3)(CH3)2(H)	H(BHHN)	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	108.3717	3.128	36	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:B-4:C-4:H-1:	B-4:	B(NCCH)(H)3	N(CCHH)(BH3)(CC3)(H)	H(BHHN)	B(NCCH)(H)3	N(CCHH)(BH3)(CC3)(H)	H(BHHN)	107.7090	2.805	3	107.7090	7.868	3	107.7090	7.868	3	108.3717	3.128	36	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:B-4:H-1:	B-4:	B(NCCH)(H)3	N(CC[6a]HH)2(BH3)(H)	H(BHHN)	B(NCCH)(H)3	N(CC[6a]HH)2(BH3)(H)	H(BHHN)	109.4647	0.011	3	109.4647	0.000	3	109.4647	0.000	3	108.3717	3.128	36	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:O-2:	B-4:	B(NCCO)(H)3	N(BH3)(CH3)2(OSi)	H(BHHN)	B(NCCO)(H)3	N(BH3)(CH3)2(OSi)	H(BHHN)	105.9250	3.496	6	105.9250	12.220	6	105.9250	12.220	6	105.9250	12.220	6	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:Br-1:Br-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)(Br)2(H)	N(BBr2H)(CH3)3	H(BBr2N)	B(NC3)(Br)2(H)	N(BBr2H)(CH3)3	H(BBr2N)	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:Cl-1:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)(Cl)(H)2	N(BClHH)(CCHH)3	H(BClHN)	B(NC3)(Cl)(H)2	N(BClHH)(CCHH)3	H(BClHN)	108.1385	0.416	2	108.1385	0.173	2	108.1385	0.173	2	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:C-4:	B-4:	B(NBCC)(H)3	N(BHHN)(BH3)(CH3)2	H(BHHN)	B(NBCC)(H)3	N(BHHN)(BH3)(CH3)2	H(BHHN)	108.4250	0.603	3	108.4250	0.364	3	107.3010	2.048	9	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:C-4:	B-4:	B(NBCC)(H)3	N(BHHP)(BH3)(CH3)2	H(BHHN)	B(NBCC)(H)3	N(BHHP)(BH3)(CH3)2	H(BHHN)	107.4383	0.769	3	107.4383	0.592	3	107.3010	2.048	9	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:C-4:	B-4:	B(NBCC)(H)3	N(BN[6]HH)(BH3)(CH3)2	H(BHHN)	B(NBCC)(H)3	N(BN[6]HH)(BH3)(CH3)2	H(BHHN)	106.0397	1.711	3	106.0397	2.927	3	107.3010	2.048	9	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)(H)3	N(BH3)(CH3)3	H(BHHN)	B(NC3)(H)3	N(BH3)(CH3)3	H(BHHN)	106.3115	0.008	2	106.3115	0.000	2	106.3115	0.000	2	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:B-4:C-4:C-4:	B-4:	B(NC3)(H)3	N(CC[5]CH)(BH3)(CH3)2	H(BHHN)	B(NC3)(H)3	N(CC[5]CH)(BH3)(CH3)2	H(BHHN)	107.5663	1.788	3	107.5663	3.198	3	106.4799	2.510	9	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:B-4:C-4:C-4:	B-4:	B(NC3)(H)3	N(CC[6]HH)(BH3)(CH3)2	H(BHHN)	B(NC3)(H)3	N(CC[6]HH)(BH3)(CH3)2	H(BHHN)	105.7550	1.973	3	105.7550	3.894	3	106.4799	2.510	9	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:B-4:C-4:C-4:	B-4:	B(NC3)(H)3	N(CHHN)(BH3)(CH3)2	H(BHHN)	B(NC3)(H)3	N(CHHN)(BH3)(CH3)2	H(BHHN)	106.1183	0.439	3	106.1183	0.193	3	106.4799	2.510	9	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:B-4:	B-4:	B(NC3)(H)3	N(CCHH)3(BH3)	H(BHHN)	B(NC3)(H)3	N(CCHH)3(BH3)	H(BHHN)	109.4673	0.052	3	109.4673	0.003	3	109.4673	0.003	3	107.3704	2.761	26	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:2:1:1:	4:1:1:1:	4:	N-4:O-2:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:	B(NH3)(OC)(H)2	N(BHHO)(H)3	H(BHNO)	B(NH3)(OC)(H)2	N(BHHO)(H)3	H(BHNO)	110.5140	0.955	2	110.5140	0.911	2	110.5140	0.911	2	110.5140	0.911	2	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:2:1:1:	4:4:2:1:	4:	N-4:C-2:H-1:H-1:	B-4:C-4:O-2:H-1:	B-4:	B(NCHO)(CN)(H)2	N(BCHH)(CCHH)(OC)(H)	H(BCHN)	B(NCHO)(CN)(H)2	N(BCHH)(CCHH)(OC)(H)	H(BCHN)	108.1240	2.063	6	108.1240	4.257	6	108.1240	4.257	6	108.5346	3.619	8	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:2:1:1:	4:4:2:1:	4:	N-4:C-2:H-1:H-1:	C-4:B-4:O-2:H-1:	B-4:	B(NCHO)(CN)(H)2	N(CC[6]HH)(BCHH)(OC)(H)	H(BCHN)	B(NCHO)(CN)(H)2	N(CC[6]HH)(BCHH)(OC)(H)	H(BCHN)	109.7665	0.016	2	109.7665	0.000	2	109.7665	0.000	2	108.5346	3.619	8	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:2:1:1:	4:4:4:4:	4:	N-4:O-2:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)(OB)(H)2	N(BHHO)(CCHH)3	H(BHNO)	B(NC3)(OB)(H)2	N(BHHO)(CCHH)3	H(BHNO)	110.9346	19.633	2	110.9346	385.445	2	109.9744	97.478	5	108.5297	71.298	7	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:2:1:1:	4:4:4:4:	4:	N-4:O-2:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)(OC)(H)2	N(BHHO)(CH3)3	H(BHNO)	B(NC3)(OC)(H)2	N(BHHO)(CH3)3	H(BHNO)	108.8530	0.078	2	108.8530	0.006	2	109.9744	97.478	5	108.5297	71.298	7	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:2:1:1:	4:4:4:4:	4:	N-4:O-2:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)(OS)(H)2	N(BHHO)(CH3)3	H(BHNO)	B(NC3)(OS)(H)2	N(BHHO)(CH3)3	H(BHNO)	110.2970	0.000	1	110.2970	0.000	1	109.9744	97.478	5	108.5297	71.298	7	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:2:1:1:	4:4:4:4:	4:	N-4:S-2:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)(SC)(H)2	N(BHHS)(CH3)3	H(BHNS)	B(NC3)(SC)(H)2	N(BHHS)(CH3)3	H(BHNS)	104.9180	1.162	2	104.9180	1.351	2	104.9180	1.351	2	108.5297	71.298	7	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C[3x6]-4:B-4:H-1:H-1:	B-4:	B(NC[3x6]HH)(COO)(H)2	N(C[3x6]C[6,6]3)(BCHH)(H)2	H(BCHN)	B(NC[3x6]HH)(COO)(H)2	N(C[3x6]C[6,6]3)(BCHH)(H)2	H(BCHN)	106.0355	2.091	2	106.0355	4.372	2	106.0355	4.372	2	106.0355	4.372	2	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:	B(CH3)(NH3)(H)2	N(BCHH)(H)3	H(BCHN)	B(CH3)(NH3)(H)2	N(BCHH)(H)3	H(BCHN)	105.2100	0.666	2	105.2100	0.444	2	105.2100	0.444	2	108.3636	2.357	19	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:1:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:	B(NBHH)(NH3)(H)2	N(BHHN)(H)3	H(BHNN)	B(NBHH)(NH3)(H)2	N(BHHN)(H)3	H(BHNN)	107.8680	1.076	8	107.8680	1.159	8	108.7346	1.235	17	108.3636	2.357	19	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:1:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:	B(NC3)(NH3)(H)2	N(BHHN)(H)3	H(BHNN)	B(NC3)(NH3)(H)2	N(BHHN)(H)3	H(BHNN)	109.2285	0.101	2	109.2285	0.010	2	108.7346	1.235	17	108.3636	2.357	19	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:1:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:H-1:H-1:H-1:	B-4:	B(NH3)2(H)2	N(BHHN)(H)3	H(BHNN)	B(NH3)2(H)2	N(BHHN)(H)3	H(BHNN)	109.5840	0.121	7	109.5840	0.015	7	108.7346	1.235	17	108.3636	2.357	19	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:	B(NCHH)(CH3)(H)2	N(BCHH)(CH3)(H)2	H(BCHN)	B(NCHH)(CH3)(H)2	N(BCHH)(CH3)(H)2	H(BCHN)	104.6170	1.004	2	104.6170	1.008	2	104.6170	1.008	2	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)(NC3)(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	B(NBHH)(NC3)(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	110.3088	0.606	4	110.3088	0.368	4	109.5946	0.990	45	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)(NCCH)(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	B(NBHH)(NCCH)(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	111.1380	1.339	2	111.1380	1.794	2	109.5946	0.990	45	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)(NCHH)(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	B(NBHH)(NCHH)(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	110.1990	1.066	5	110.1990	1.137	5	109.5946	0.990	45	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)(NH3)(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	B(NBHH)(NH3)(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	109.6487	0.951	6	109.6487	0.905	6	109.5946	0.990	45	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)(NH3)(H)2	N(BHHN)(BHHP)(H)2	H(BHNN)	B(NBHH)(NH3)(H)2	N(BHHN)(BHHP)(H)2	H(BHNN)	109.5580	0.410	2	109.5580	0.168	2	109.5946	0.990	45	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)2(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	B(NBHH)2(H)2	N(BHHN)(BH3)(H)2	H(BHNN)	109.3886	0.769	18	109.3886	0.591	18	109.5946	0.990	45	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)2(H)2	N(BHHN)2(H)2	H(BHNN)	B(NBHH)2(H)2	N(BHHN)2(H)2	H(BHNN)	108.9059	1.079	8	108.9059	1.165	8	109.5946	0.990	45	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:	B(NBCH)(NCHH)(H)2	N(BHHN)(CH3)(H)2	H(BHNN)	B(NBCH)(NCHH)(H)2	N(BHHN)(CH3)(H)2	H(BHNN)	108.4373	0.975	8	108.4373	0.950	8	108.1791	2.148	19	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:	B(NBHH)(NCHH)(H)2	N(BHHN)(CCCH)(H)2	H(BHNN)	B(NBHH)(NCHH)(H)2	N(BHHN)(CCCH)(H)2	H(BHNN)	107.7610	1.335	2	107.7610	1.782	2	108.1791	2.148	19	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:	B(NBHH)(NCHH)(H)2	N(BHHN)(CCHH)(H)2	H(BHNN)	B(NBHH)(NCHH)(H)2	N(BHHN)(CCHH)(H)2	H(BHNN)	107.0920	1.177	2	107.0920	1.384	2	108.1791	2.148	19	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:	B(NBHH)(NCHH)(H)2	N(BHHN)(CH3)(H)2	H(BHNN)	B(NBHH)(NCHH)(H)2	N(BHHN)(CH3)(H)2	H(BHNN)	107.7010	0.000	1	107.7010	0.000	1	108.1791	2.148	19	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:	B(NCHH)2(H)2	N(BHHN)(CH3)(H)2	H(BHNN)	B(NCHH)2(H)2	N(BHHN)(CH3)(H)2	H(BHNN)	108.4163	2.238	6	108.4163	5.008	6	108.1791	2.148	19	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	P-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(PC[6a]3)(NBHH)(H)2	N(BC[6a]3)(BHHP)(H)2	H(BHNP)	B(PC[6a]3)(NBHH)(H)2	N(BC[6a]3)(BHHP)(H)2	H(BHNP)	114.2740	0.601	2	114.2740	0.361	2	112.3750	5.019	4	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	P-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(PC[6a]3)(NBHH)(H)2	N(BHHN)(BHHP)(H)2	H(BHNP)	B(PC[6a]3)(NBHH)(H)2	N(BHHN)(BHHP)(H)2	H(BHNP)	110.4760	0.520	2	110.4760	0.271	2	112.3750	5.019	4	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:1:1:	4:	P-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	B-4:	B(PC[6a]3)(NCHH)(H)2	N(BHHP)(CH3)(H)2	H(BHNP)	B(PC[6a]3)(NCHH)(H)2	N(BHHP)(CH3)(H)2	H(BHNP)	111.4163	1.088	4	111.4163	1.183	4	111.4163	1.183	4	109.3454	3.138	74	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	B-4:	B(CHHP)(NCCH)(H)2	N(BCHH)(CH3)2(H)	H(BCHN)	B(CHHP)(NCCH)(H)2	N(BCHH)(CH3)2(H)	H(BCHN)	104.8830	0.800	2	104.8830	0.641	2	104.8830	0.641	2	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	B-4:C-4:C-4:H-1:	B-4:	B(NCCH)(CH3)(H)2	N(BCHH)(CCCH)2(H)	H(BCHN)	B(NCCH)(CH3)(H)2	N(BCHH)(CCCH)2(H)	H(BCHN)	105.8720	0.771	2	105.8720	0.594	2	105.8720	0.594	2	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)(NCHH)(H)2	N(BHHN)(BH3)(CH3)(H)	H(BHNN)	B(NBCH)(NCHH)(H)2	N(BHHN)(BH3)(CH3)(H)	H(BHNN)	109.4942	0.495	4	109.4942	0.245	4	108.9592	1.664	12	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)(NCHH)(H)2	N(BHHN)2(CH3)(H)	H(BHNN)	B(NBCH)(NCHH)(H)2	N(BHHN)2(CH3)(H)	H(BHNN)	110.0780	1.157	2	110.0780	1.338	2	108.9592	1.664	12	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)(NCHH)(H)2	N(BIrHH)(BHHN)(CH3)(H)	H(BHNN)	B(NBCH)(NCHH)(H)2	N(BIrHH)(BHHN)(CH3)(H)	H(BHNN)	108.2125	2.279	2	108.2125	5.194	2	108.9592	1.664	12	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)2(H)2	N(BHHN)(BH3)(CH3)(H)	H(BHNN)	B(NBCH)2(H)2	N(BHHN)(BH3)(CH3)(H)	H(BHNN)	107.8770	1.160	2	107.8770	1.345	2	108.9592	1.664	12	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:H-1:	B-4:	B(NBCH)2(H)2	N(BHHN)2(CH3)(H)	H(BHNN)	B(NBCH)2(H)2	N(BHHN)2(CH3)(H)	H(BHNN)	108.5995	1.525	2	108.5995	2.326	2	108.9592	1.664	12	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	B-4:	B(NBCC)(NCCH)(H)2	N(BHHN)(CCCH)2(H)	H(BHNN)	B(NBCC)(NCCH)(H)2	N(BHHN)(CCCH)2(H)	H(BHNN)	106.4825	1.884	2	106.4825	3.551	2	105.7620	1.974	4	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	B-4:	B(NBHH)(NCCH)(H)2	N(BHHN)(CH3)2(H)	H(BHNN)	B(NBHH)(NCCH)(H)2	N(BHHN)(CH3)2(H)	H(BHNN)	105.0415	0.544	2	105.0415	0.296	2	105.7620	1.974	4	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	P-4:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	B-4:	B(PC[6a]2B)(NCCH)(H)2	N(BHHP)(CH3)2(H)	H(BHNP)	B(PC[6a]2B)(NCCH)(H)2	N(BHHP)(CH3)2(H)	H(BHNP)	106.8075	0.392	2	106.8075	0.154	2	108.1815	3.287	4	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:1:	4:	P-4:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	B-4:	B(PC[6a]3)(NCCH)(H)2	N(BHHP)(CH3)2(H)	H(BHNP)	B(PC[6a]3)(NCCH)(H)2	N(BHHP)(CH3)2(H)	H(BHNP)	109.5555	1.469	2	109.5555	2.157	2	108.1815	3.287	4	107.6998	4.037	24	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	As-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(AsCl2W)(NC3)(H)2	N(BAsHH)(CH3)3	H(BAsHN)	B(AsCl2W)(NC3)(H)2	N(BAsHH)(CH3)3	H(BAsHN)	109.0735	5.737	4	109.0735	32.917	4	109.0735	32.917	4	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(CCHH)(NC3)(H)2	N(BCHH)(CH3)3	H(BCHN)	B(CCHH)(NC3)(H)2	N(BCHH)(CH3)3	H(BCHN)	105.5915	0.269	2	105.5915	0.073	2	102.0840	7.657	8	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(CC[5a]C[6a]H)(NC3)(H)2	N(BCHH)(CH3)3	H(BCHN)	B(CC[5a]C[6a]H)(NC3)(H)2	N(BCHH)(CH3)3	H(BCHN)	102.5745	1.882	2	102.5745	3.540	2	102.0840	7.657	8	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(CSiBH)(NC3)(H)2	N(BCHH)(CCHH)(CH3)2	H(BCHN)	B(CSiBH)(NC3)(H)2	N(BCHH)(CCHH)(CH3)2	H(BCHN)	100.0850	1.724	4	100.0850	2.971	4	102.0840	7.657	8	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(C[5]C[5]2Mn)(NC3)(H)2	N(BC[5]HH)(CCHH)(CH3)2	H(BC[5]HN)	B(C[5]C[5]2Mn)(NC3)(H)2	N(BC[5]HH)(CCHH)(CH3)2	H(BC[5]HN)	109.4545	0.016	2	109.4545	0.000	2	109.4545	0.000	2	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(C[6]N[6]2H)(NC3)(H)2	N(BC[6]HH)(CH3)3	H(BC[6]HN)	B(C[6]N[6]2H)(NC3)(H)2	N(BC[6]HH)(CH3)3	H(BC[6]HN)	103.6455	1.279	2	103.6455	1.636	2	103.6455	1.636	2	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:N-4:H-1:H-1:	B-4:B-4:C-4:C-4:	B-4:	B(NBCC)(NCCH)(H)2	N(BHHN)(BH3)(CH3)2	H(BHNN)	B(NBCC)(NCCH)(H)2	N(BHHN)(BH3)(CH3)2	H(BHNN)	108.2920	1.870	2	108.2920	3.495	2	108.2920	3.495	2	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NBHH)(NC3)(H)2	N(BHHN)(CCHH)3	H(BHNN)	B(NBHH)(NC3)(H)2	N(BHHN)(CCHH)3	H(BHNN)	106.2400	0.136	2	106.2400	0.018	2	106.4288	2.444	10	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NBHH)(NC3)(H)2	N(BHHN)(CH3)3	H(BHNN)	B(NBHH)(NC3)(H)2	N(BHHN)(CH3)3	H(BHNN)	105.4320	0.276	2	105.4320	0.076	2	106.4288	2.444	10	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)(NH3)(H)2	N(BHHN)(CCHH)3	H(BHNN)	B(NC3)(NH3)(H)2	N(BHHN)(CCHH)3	H(BHNN)	109.1640	0.011	2	109.1640	0.000	2	106.4288	2.444	10	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(NC3)2(H)2	N(BHHN)(CCHH)3	H(BHNN)	B(NC3)2(H)2	N(BHHN)(CCHH)3	H(BHNN)	105.6540	0.908	4	105.6540	0.825	4	106.4288	2.444	10	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:P-4:H-1:H-1:	B-4:B-4:C-4:C-4:	B-4:	B(NBCC)(PC3)(H)2	N(BHHP)(BH3)(CH3)2	H(BHNP)	B(NBCC)(PC3)(H)2	N(BHHP)(BH3)(CH3)2	H(BHNP)	109.4620	1.465	2	109.4620	2.147	2	109.4620	2.147	2	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	P-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(PBr2W)(NC3)(H)2	N(BHHP)(CH3)3	H(BHNP)	B(PBr2W)(NC3)(H)2	N(BHHP)(CH3)3	H(BHNP)	104.9530	0.259	2	104.9530	0.067	2	105.1817	10.627	16	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	P-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(PC[6a]2Ag)(NC3)(H)2	N(BHHP)(CH3)3	H(BHNP)	B(PC[6a]2Ag)(NC3)(H)2	N(BHHP)(CH3)3	H(BHNP)	104.3809	3.238	6	104.3809	10.483	6	105.1817	10.627	16	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	P-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(PC[6a]3)(NC3)(H)2	N(BHHP)(CH3)3	H(BHNP)	B(PC[6a]3)(NC3)(H)2	N(BHHP)(CH3)3	H(BHNP)	107.5280	0.021	2	107.5280	0.000	2	105.1817	10.627	16	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:1:1:	4:4:4:4:	4:	P-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(PCl2W)(NC3)(H)2	N(BHHP)(CH3)3	H(BHNP)	B(PCl2W)(NC3)(H)2	N(BHHP)(CH3)3	H(BHNP)	105.2766	4.288	6	105.2766	18.383	6	105.1817	10.627	16	105.6928	12.870	46	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:2:1:	4:4:4:4:	4:	C-4:N-4:C-2:H-1:	B-4:C-4:C-4:C-4:	B-4:	B(CC[6a]HH)(NC3)(CN)(H)	N(BCCH)(CH3)3	H(BCCN)	B(CC[6a]HH)(NC3)(CN)(H)	N(BCCH)(CH3)3	H(BCCN)	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.1666	6.351	381	108.1666	6.351	381
610	892	951	0:SP3_SP-NON_SP3	B	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:N-4:N-4:H-1:	B-4:B-4:H-1:H-1:	B-4:	B(NBHH)3(H)	N(BHNN)(BH3)(H)2	H(BN3)	B(NBHH)3(H)	N(BHNN)(BH3)(H)2	H(BN3)	110.2483	0.897	3	110.2483	0.804	3	110.2483	0.804	3	110.2483	0.804	3	108.1666	6.351	381	108.1666	6.351	381
610	892	983	0:SP3_SP1_SP3	B	N	C	3:3:4:2:	4:3:1:1:	4:2:	C[6a]-3:C[6a]-3:N-4:C-2:	B-4:N-3:H-1:H-1:	B-4:C-2:	B(C[6a]C[6a]2)2(NHHN)(CC)	N(BC[6a]2C)(NHH)(H)2	C(BC[6a]2N)(CC[6a])	B(C[6a]C[6a]2)2(NHHN)(CC)	N(BC[6a]2C)(NHH)(H)2	C(BC[6a]2N)(CC[6a])	103.7555	1.336	4	103.7555	1.785	4	103.7555	1.785	4	103.7555	1.785	4	106.0327	5.925	9	106.0327	5.925	9
610	892	983	0:SP3_SP1_SP3	B	N	C	4:2:1:1:	4:4:2:1:	4:1:	N-4:C-2:H-1:H-1:	B-4:C-4:O-2:H-1:	B-4:N-1:	B(NCHO)(CN)(H)2	N(BCHH)(CCHH)(OC)(H)	C(BHHN)(N)	B(NCHO)(CN)(H)2	N(BCHH)(CCHH)(OC)(H)	C(BHHN)(N)	107.5433	0.799	3	107.5433	0.639	3	107.5433	0.639	3	108.0285	1.368	4	106.0327	5.925	9	106.0327	5.925	9
610	892	983	0:SP3_SP1_SP3	B	N	C	4:2:1:1:	4:4:2:1:	4:1:	N-4:C-2:H-1:H-1:	C-4:B-4:O-2:H-1:	B-4:N-1:	B(NCHO)(CN)(H)2	N(CC[6]HH)(BCHH)(OC)(H)	C(BHHN)(N)	B(NCHO)(CN)(H)2	N(CC[6]HH)(BCHH)(OC)(H)	C(BHHN)(N)	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	108.0285	1.368	4	106.0327	5.925	9	106.0327	5.925	9
610	892	983	0:SP3_SP1_SP3	B	N	C	4:4:2:1:	4:4:4:4:	4:1:	C-4:N-4:C-2:H-1:	B-4:C-4:C-4:C-4:	B-4:N-1:	B(CC[6a]HH)(NC3)(CN)(H)	N(BCCH)(CH3)3	C(BCHN)(N)	B(CC[6a]HH)(NC3)(CN)(H)	N(BCCH)(CH3)3	C(BCHN)(N)	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	106.0327	5.925	9	106.0327	5.925	9
610	892	992	0:SP3_SP3_SP3	B	N	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:B-4:	B(PC[6a]3)(NBHH)(H)2	N(BC[6a]3)(BHHP)(H)2	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	B(PC[6a]3)(NBHH)(H)2	N(BC[6a]3)(BHHP)(H)2	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	111.3770	0.000	1	111.3770	0.000	1	112.0925	1.024	2	112.7903	4.041	4	114.1834	10.052	8	114.1834	10.052	8
610	892	992	0:SP3_SP3_SP3	B	N	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:N-4:H-1:H-1:	B-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:B-4:	B(PC[6a]3)(NBHH)(H)2	N(BHHN)(BHHP)(H)2	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	B(PC[6a]3)(NBHH)(H)2	N(BHHN)(BHHP)(H)2	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	112.8080	0.000	1	112.8080	0.000	1	112.0925	1.024	2	112.7903	4.041	4	114.1834	10.052	8	114.1834	10.052	8
610	892	992	0:SP3_SP3_SP3	B	N	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:B-4:	B(PC[6a]3)(NCHH)(H)2	N(BHHP)(CH3)(H)2	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	B(PC[6a]3)(NCHH)(H)2	N(BHHP)(CH3)(H)2	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	113.4880	3.025	2	113.4880	9.151	2	113.4880	9.151	2	112.7903	4.041	4	114.1834	10.052	8	114.1834	10.052	8
610	892	992	0:SP3_SP3_SP3	B	N	P	4:4:1:1:	4:4:4:1:	3:3:3:4:	P-4:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:B-4:	B(PC[6a]3)(NCCH)(H)2	N(BHHP)(CH3)2(H)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	B(PC[6a]3)(NCCH)(H)2	N(BHHP)(CH3)2(H)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	115.5880	0.000	1	115.5880	0.000	1	115.5880	0.000	1	115.5880	0.000	1	114.1834	10.052	8	114.1834	10.052	8
610	892	992	0:SP3_SP3_SP3	B	N	P	4:4:1:1:	4:4:4:1:	3:3:4:4:	P-4:N-4:H-1:H-1:	B-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:B-4:	B(PC[6a]2B)(NCCH)(H)2	N(BHHP)(CH3)2(H)	P(C[6a]C[6a]2)2(BHHN)(BH3)	B(PC[6a]2B)(NCCH)(H)2	N(BHHP)(CH3)2(H)	P(C[6a]C[6a]2)2(BHHN)(BH3)	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	114.1834	10.052	8	114.1834	10.052	8
610	892	992	0:SP3_SP3_SP3	B	N	P	4:4:1:1:	4:4:4:4:	3:3:3:4:	P-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:B-4:	B(PC[6a]3)(NC3)(H)2	N(BHHP)(CH3)3	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	B(PC[6a]3)(NC3)(H)2	N(BHHP)(CH3)3	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(BHHN)	117.9890	0.000	1	117.9890	0.000	1	117.9890	0.000	1	117.9890	0.000	1	114.1834	10.052	8	114.1834	10.052	8
610	892	992	0:SP3_SP3_SP3	B	N	P	4:4:1:1:	4:4:4:4:	4:4:4:4:	N-4:P-4:H-1:H-1:	B-4:B-4:C-4:C-4:	B-4:C-4:C-4:C-4:	B(NBCC)(PC3)(H)2	N(BHHP)(BH3)(CH3)2	P(BHHN)(CH3)3	B(NBCC)(PC3)(H)2	N(BHHP)(BH3)(CH3)2	P(BHHN)(CH3)3	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	114.1834	10.052	8	114.1834	10.052	8
610	893	893	0:SP3_SP2_SP2	B	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:F-1:F-1:	C-3:B-4:	C-3:B-4:	B(OC)2(F)2	O(CC[6a]C[5])(BFFO)	O(CC[6a]C[5])(BFFO)	B(OC)2(F)2	O(CC[6a]C[5])(BFFO)	O(CC[6a]C[5])(BFFO)	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	2:2:2:2:	3:4:	3:4:	O-2:O-2:O-2:O-2:	C[6a]-3:B-4:	C[6]-3:B-4:	B(OC[6a])3(OC[6])	O(C[6a]C[6a]2)(BO3)	O(C[6]C[6]2)(BO3)	B(OC[6a])3(OC[6])	O(C[6a]C[6a]2)(BO3)	O(C[6]C[6]2)(BO3)	104.9417	2.125	6	104.9417	4.515	6	104.9417	4.515	6	109.6936	21.549	93	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	2:2:2:2:	3:4:	3:4:	O-2:O-2:O-2:O-2:	C[6a]-3:B-4:	C[6a]-3:B-4:	B(OC[6a])3(OC[6])	O(C[6a]C[6a]2)(BO3)	O(C[6a]C[6a]2)(BO3)	B(OC[6a])3(OC[6])	O(C[6a]C[6a]2)(BO3)	O(C[6a]C[6a]2)(BO3)	113.5896	1.487	5	113.5896	2.210	5	110.0213	21.106	87	109.6936	21.549	93	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	2:2:2:2:	3:4:	3:4:	O-2:O-2:O-2:O-2:	C[6a]-3:B-4:	C[6a]-3:B-4:	B(OC[6a])4	O(C[6a]C[6a]2)(BO3)	O(C[6a]C[6a]2)(BO3)	B(OC[6a])4	O(C[6a]C[6a]2)(BO3)	O(C[6a]C[6a]2)(BO3)	109.8037	4.633	82	109.8037	21.466	82	110.0213	21.106	87	109.6936	21.549	93	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	2:2:2:2:	4:3:	4:3:	O-2:O-2:O-2:O-2:	B-4:C-3:	B-4:C-3:	B(OC)4	O(BO3)(CHO)	O(BO3)(CHO)	B(OC)4	O(BO3)(CHO)	O(BO3)(CHO)	109.4240	4.580	6	109.4240	20.973	6	109.4240	20.973	6	109.4240	20.973	6	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	3:2:2:2:	3:4:	3:4:	C[6a]-3:O-2:O-2:O-2:	C[5]-3:B-4:	C[5]-3:B-4:	B(C[6a]C[6a]2)(OC[5])3	O(C[5]N[5,6]P[5])(BC[6a]OO)	O(C[5]N[5,6]P[5])(BC[6a]OO)	B(C[6a]C[6a]2)(OC[5])3	O(C[5]N[5,6]P[5])(BC[6a]OO)	O(C[5]N[5,6]P[5])(BC[6a]OO)	109.5633	1.967	3	109.5633	3.869	3	109.5633	3.869	3	113.3462	10.664	25	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	3:2:2:2:	3:4:	3:4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:B-4:	C[6a]-3:B-4:	B(C[6a]C[6a]2)(OC[6a])2(OP)	O(C[6a]C[6a]2)(BC[6a]OO)	O(C[6a]C[6a]2)(BC[6a]OO)	B(C[6a]C[6a]2)(OC[6a])2(OP)	O(C[6a]C[6a]2)(BC[6a]OO)	O(C[6a]C[6a]2)(BC[6a]OO)	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	113.3462	10.664	25	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	3:2:2:2:	3:4:	3:4:	N[6]-3:O-2:O-2:O-2:	C[6a]-3:B-4:	C[6a]-3:B-4:	B(N[6]C[6]2)(OC[6a])3	O(C[6a]C[6a]2)(BN[6]OO)	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	O(C[6a]C[6a]2)(BN[6]OO)	O(C[6a]C[6a]2)(BN[6]OO)	114.2674	1.012	15	114.2674	1.024	15	113.7246	11.574	18	113.3462	10.664	25	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	3:2:2:2:	3:4:	3:4:	N[6]-3:O-2:O-2:O-2:	C[6a]-3:B-4:	C[6a]-3:B-4:	B(N[6]C[6]2)(OC[6a])3	O(C[6a]C[6a]N[6a])(BN[6]OO)	O(C[6a]C[6a]N[6a])(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	O(C[6a]C[6a]N[6a])(BN[6]OO)	O(C[6a]C[6a]N[6a])(BN[6]OO)	111.0103	8.829	3	111.0103	77.949	3	113.7246	11.574	18	113.3462	10.664	25	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	3:2:2:2:	3:4:	3:4:	O[5]-3:O-2:O-2:O-2:	C[6a]-3:B-4:	C[6a]-3:B-4:	B(O[5]C[5]2)(OC[6a])3	O(C[6a]C[6a]2)(BO[5]OO)	O(C[6a]C[6a]2)(BO[5]OO)	B(O[5]C[5]2)(OC[6a])3	O(C[6a]C[6a]2)(BO[5]OO)	O(C[6a]C[6a]2)(BO[5]OO)	114.6543	0.462	3	114.6543	0.214	3	114.6543	0.214	3	113.3462	10.664	25	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	3:2:2:2:	4:3:	4:3:	C[6a]-3:O-2:O-2:O-2:	B-4:C-3:	B-4:C-3:	B(C[6a]C[6a]2)(ON[6])(OC)2	O(BC[6a]OO)(CC[6a]O)	O(BC[6a]OO)(CC[6a]O)	B(C[6a]C[6a]2)(ON[6])(OC)2	O(BC[6a]OO)(CC[6a]O)	O(BC[6a]OO)(CC[6a]O)	109.9910	0.188	2	109.9910	0.035	2	109.9910	0.035	2	109.9910	0.035	2	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O-2:O-2:	B-4:B-3:	B-4:C-3:	B(C[6a]C[6a]2)2(OB)(OC)	O(BC[6a]2O)(BC[6a]2)	O(BC[6a]2O)(COP)	B(C[6a]C[6a]2)2(OB)(OC)	O(BC[6a]2O)(BC[6a]2)	O(BC[6a]2O)(COP)	105.3070	0.000	1	105.3070	0.000	1	105.3070	0.000	1	105.3070	0.000	1	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP2	B	O	O	4:4:2:2:	3:4:	3:4:	C[6]-4:C[6]-4:O-2:O-2:	C[5a]-3:B-4:	C[5a]-3:B-4:	B(C[6]C[6]2H)2(OC[5a])2	O(C[5a]C[5,5a]O[5a])(BC[6]2O)	O(C[5a]C[5,5a]O[5a])(BC[6]2O)	B(C[6]C[6]2H)2(OC[5a])2	O(C[5a]C[5,5a]O[5a])(BC[6]2O)	O(C[5a]C[5,5a]O[5a])(BC[6]2O)	92.1303	0.000	1	92.1303	0.000	1	92.1303	0.000	1	92.1303	0.000	1	110.2277	23.193	129	110.2277	23.193	129
610	893	893	0:SP3_SP2_SP3	B	O	O	3:2:2:2:	3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	N[6]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)(ON[6])(OC)2	O(N[6]C[6]2)(BC[6a]OO)	O(BC[6a]OO)(CC[6a]O)	B(C[6a]C[6a]2)(ON[6])(OC)2	O(N[6]C[6]2)(BC[6a]OO)	O(BC[6a]OO)(CC[6a]O)	106.0065	0.380	4	106.0065	0.144	4	106.0065	0.144	4	106.0065	0.144	4	105.8761	10.011	8	105.8761	10.011	8
610	893	893	0:SP3_SP2_SP3	B	O	O	3:2:2:2:	3:4:	4:4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)(OC[6a])2(OP)	O(C[6a]C[6a]2)(BC[6a]OO)	O(BC[6a]OO)(PC3)	B(C[6a]C[6a]2)(OC[6a])2(OP)	O(C[6a]C[6a]2)(BC[6a]OO)	O(BC[6a]OO)(PC3)	107.0310	2.908	2	107.0310	8.454	2	107.0310	8.454	2	107.0310	8.454	2	105.8761	10.011	8	105.8761	10.011	8
610	893	893	0:SP3_SP2_SP3	B	O	O	3:3:2:2:	3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	O(C[6a]C[6a]2)(BC[6a]2O)	O(BC[6a]2O)(PC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	O(C[6a]C[6a]2)(BC[6a]2O)	O(BC[6a]2O)(PC[6a]3)	99.2426	0.000	1	99.2426	0.000	1	99.2426	0.000	1	99.2426	0.000	1	105.8761	10.011	8	105.8761	10.011	8
610	893	893	0:SP3_SP2_SP3	B	O	O	3:3:2:2:	4:4:	4:3:	C[6a]-3:C[6a]-3:O-2:O-2:	B-4:S-4:	B-4:C-3:	B(C[6a]C[6a]2)2(OC)(OS)	O(BC[6a]2O)(SCOO)	O(BC[6a]2O)(COP)	B(C[6a]C[6a]2)2(OC)(OS)	O(BC[6a]2O)(SCOO)	O(BC[6a]2O)(COP)	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	105.8761	10.011	8	105.8761	10.011	8
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:F-1:F-1:	N-3:B-4:	N-3:B-4:	B(ON)2(F)2	O(NC[5]Co)(BFFO)	O(NC[5]Co)(BFFO)	B(ON)2(F)2	O(NC[5]Co)(BFFO)	O(NC[5]Co)(BFFO)	114.9620	0.000	1	114.9620	0.000	1	113.4580	2.152	3	113.4580	2.152	3	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:F-1:F-1:	N-3:B-4:	N-3:B-4:	B(ON)2(F)2	O(NC[6a]Ni)(BFFO)	O(NC[6a]Ni)(BFFO)	B(ON)2(F)2	O(NC[6a]Ni)(BFFO)	O(NC[6a]Ni)(BFFO)	112.7060	0.955	2	112.7060	0.911	2	113.4580	2.152	3	113.4580	2.152	3	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:1:1:	4:3:	4:3:	O-2:O-2:F-1:F-1:	B-4:N-3:	B-4:N-3:	B(ON)2(F)2	O(BFFO)(NCoC)	O(BFFO)(NCoC)	B(ON)2(F)2	O(BFFO)(NCoC)	O(BFFO)(NCoC)	113.7124	2.362	7	113.7124	5.577	7	114.8221	5.807	11	114.8221	5.807	11	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:1:1:	4:3:	4:3:	O-2:O-2:F-1:F-1:	B-4:N-3:	B-4:N-3:	B(ON)2(F)2	O(BFFO)(NFeC)	O(BFFO)(NFeC)	B(ON)2(F)2	O(BFFO)(NFeC)	O(BFFO)(NFeC)	116.7640	0.550	4	116.7640	0.303	4	114.8221	5.807	11	114.8221	5.807	11	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:F-1:F-1:	B-4:C-4:	B-4:C-4:	B(OC)2(F)2	O(BFFO)(CH3)	O(BFFO)(CH3)	B(OC)2(F)2	O(BFFO)(CH3)	O(BFFO)(CH3)	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	110.5235	3.707	12	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:F-1:F-1:	P-4:B-4:	P-4:B-4:	B(OP)2(F)2	O(PC[6a]2Rh)(BFFO)	O(PC[6a]2Rh)(BFFO)	B(OP)2(F)2	O(PC[6a]2Rh)(BFFO)	O(PC[6a]2Rh)(BFFO)	112.4230	0.000	1	112.4230	0.000	1	110.1515	2.251	11	110.5235	3.707	12	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:F-1:F-1:	P-4:B-4:	P-4:B-4:	B(OP)2(F)2	O(PC[6a]PdC)(BFFO)	O(PC[6a]PdC)(BFFO)	B(OP)2(F)2	O(PC[6a]PdC)(BFFO)	O(PC[6a]PdC)(BFFO)	109.4942	1.317	6	109.4942	1.734	6	110.1515	2.251	11	110.5235	3.707	12	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:F-1:F-1:	P-4:B-4:	P-4:B-4:	B(OP)2(F)2	O(PPtOO)(BFFO)	O(PPtOO)(BFFO)	B(OP)2(F)2	O(PPtOO)(BFFO)	O(PPtOO)(BFFO)	110.5697	1.341	4	110.5697	1.797	4	110.1515	2.251	11	110.5235	3.707	12	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:2:1:	4:3:	4:3:	O-2:O-2:O-2:F-1:	B-4:N-3:	B-4:N-3:	B(ON)3(F)	O(BFOO)(NCoC)	O(BFOO)(NCoC)	B(ON)3(F)	O(BFOO)(NCoC)	O(BFOO)(NCoC)	111.5992	1.052	12	111.5992	1.108	12	111.0880	0.773	56	111.0880	0.773	56	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:2:1:	4:3:	4:3:	O-2:O-2:O-2:F-1:	B-4:N-3:	B-4:N-3:	B(ON)3(F)	O(BFOO)(NFeC)	O(BFOO)(NFeC)	B(ON)3(F)	O(BFOO)(NFeC)	O(BFOO)(NFeC)	110.9486	0.783	44	110.9486	0.613	44	111.0880	0.773	56	111.0880	0.773	56	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:2:2:	4:4:	4:4:	O-2:O-2:O-2:O-2:	B-4:C-4:	B-4:C-4:	B(OC)4	O(BO3)(CH3)	O(BO3)(CH3)	B(OC)4	O(BO3)(CH3)	O(BO3)(CH3)	109.5482	5.821	6	109.5482	33.887	6	109.5482	33.887	6	109.5368	24.678	18	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:2:2:	4:4:	4:4:	O-2:O-2:O-2:O-2:	C-4:B-4:	C-4:B-4:	B(OC)4	O(CCCH)(BO3)	O(CCCH)(BO3)	B(OC)4	O(CCCH)(BO3)	O(CCCH)(BO3)	109.4942	2.986	6	109.4942	8.919	6	109.5311	22.736	12	109.5368	24.678	18	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	2:2:2:2:	4:4:	4:4:	O-2:O-2:O-2:O-2:	C-4:B-4:	C-4:B-4:	B(OC)4	O(CCHH)(BO3)	O(CCHH)(BO3)	B(OC)4	O(CCHH)(BO3)	O(CCHH)(BO3)	109.5680	6.411	6	109.5680	41.096	6	109.5311	22.736	12	109.5368	24.678	18	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:1:	4:1:	C[6a]-3:O-2:O-2:O-2:	B-4:H-1:	B-4:H-1:	B(C[6a]C[6a]2)(OH)3	O(BC[6a]OO)(H)	O(BC[6a]OO)(H)	B(C[6a]C[6a]2)(OH)3	O(BC[6a]OO)(H)	O(BC[6a]OO)(H)	107.1493	2.424	3	107.1493	5.877	3	107.1493	5.877	3	107.1493	5.877	3	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:1:	C[6]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:C-1:	B(C[6]C[6]2)(OC)(ON)2	O(BC[6]OO)(NCoC)	O(BC[6]OO)(C)	B(C[6]C[6]2)(OC)(ON)2	O(BC[6]OO)(NCoC)	O(BC[6]OO)(C)	109.9770	3.186	2	109.9770	10.152	2	109.9770	10.152	2	109.2915	6.688	4	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:1:	C[6a]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:H-1:	B(C[6a]C[6a]2)(OH)(ON)2	O(BC[6a]OO)(NCoC)	O(BC[6a]OO)(H)	B(C[6a]C[6a]2)(OH)(ON)2	O(BC[6a]OO)(NCoC)	O(BC[6a]OO)(H)	108.6060	2.834	2	108.6060	8.032	2	108.6060	8.032	2	109.2915	6.688	4	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:3:	C[6]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6]C[6]2)(OC)(ON)2	O(BC[6]OO)(NCoC)	O(BC[6]OO)(NCoC)	B(C[6]C[6]2)(OC)(ON)2	O(BC[6]OO)(NCoC)	O(BC[6]OO)(NCoC)	113.1590	0.000	1	113.1590	0.000	1	110.1593	5.929	7	110.8668	2.489	94	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:3:	C[6]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6]C[6]2)(ON)3	O(BC[6]OO)(NC[6]Fe)	O(BC[6]OO)(NC[6]Fe)	B(C[6]C[6]2)(ON)3	O(BC[6]OO)(NC[6]Fe)	O(BC[6]OO)(NC[6]Fe)	109.6593	2.240	6	109.6593	5.015	6	110.1593	5.929	7	110.8668	2.489	94	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:3:	C[6a]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6a]C[6a]2)(OH)(ON)2	O(BC[6a]OO)(NCoC)	O(BC[6a]OO)(NCoC)	B(C[6a]C[6a]2)(OH)(ON)2	O(BC[6a]OO)(NCoC)	O(BC[6a]OO)(NCoC)	112.2820	0.000	1	112.2820	0.000	1	110.9237	2.234	87	110.8668	2.489	94	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:3:	C[6a]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NC[6]Fe)	O(BC[6a]OO)(NC[6]Fe)	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NC[6]Fe)	O(BC[6a]OO)(NC[6]Fe)	110.2944	0.637	20	110.2944	0.406	20	110.9237	2.234	87	110.8668	2.489	94	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:3:	C[6a]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NCoC)	O(BC[6a]OO)(NCoC)	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NCoC)	O(BC[6a]OO)(NCoC)	112.4861	1.811	15	112.4861	3.279	15	110.9237	2.234	87	110.8668	2.489	94	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:3:	C[6a]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NFeC)	O(BC[6a]OO)(NFeC)	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NFeC)	O(BC[6a]OO)(NFeC)	110.2885	1.205	39	110.2885	1.453	39	110.9237	2.234	87	110.8668	2.489	94	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:3:	C[6a]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NMnC)	O(BC[6a]OO)(NMnC)	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NMnC)	O(BC[6a]OO)(NMnC)	111.7843	1.338	3	111.7843	1.790	3	110.9237	2.234	87	110.8668	2.489	94	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:2:2:2:	4:3:	4:3:	C[6a]-3:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NZnC)	O(BC[6a]OO)(NZnC)	B(C[6a]C[6a]2)(ON)3	O(BC[6a]OO)(NZnC)	O(BC[6a]OO)(NZnC)	112.0334	0.732	9	112.0334	0.536	9	110.9237	2.234	87	110.8668	2.489	94	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6a]C[6a]2)2(ON)2	O(BC[6a]2O)(NFeC)	O(BC[6a]2O)(NFeC)	B(C[6a]C[6a]2)2(ON)2	O(BC[6a]2O)(NFeC)	O(BC[6a]2O)(NFeC)	114.3040	1.601	4	114.3040	2.563	4	114.3040	2.563	4	114.3040	2.563	4	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	B-4:P-4:	B-4:P-4:	B(C[6a]C[6a]2)2(OP)2	O(BC[6a]2O)(PC[5a]OO)	O(BC[6a]2O)(PC[5a]OO)	B(C[6a]C[6a]2)2(OP)2	O(BC[6a]2O)(PC[5a]OO)	O(BC[6a]2O)(PC[5a]OO)	106.6890	0.318	2	106.6890	0.101	2	106.6890	0.101	2	106.4550	0.215	3	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	N[6]-4:B-4:	B-4:C-4:	B(C[6a]C[6a]2)2(ON[6])(OC)	O(N[6]C[6]2H)(BC[6a]2O)	O(BC[6a]2O)(CH3)	B(C[6a]C[6a]2)2(ON[6])(OC)	O(N[6]C[6]2H)(BC[6a]2O)	O(BC[6a]2O)(CH3)	105.9870	0.000	1	105.9870	0.000	1	105.9870	0.000	1	106.4550	0.215	3	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	4:2:2:2:	3:4:	3:4:	C-4:O-2:O-2:O-2:	N-3:B-4:	N-3:B-4:	B(CCHH)(ON)3	O(NC[6]Fe)(BCOO)	O(NC[6]Fe)(BCOO)	B(CCHH)(ON)3	O(NC[6]Fe)(BCOO)	O(NC[6]Fe)(BCOO)	109.6990	0.609	3	109.6990	0.370	3	109.6990	0.370	3	109.6990	0.370	3	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	4:2:2:2:	4:3:	4:3:	C-4:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(CCHH)(ON)3	O(BCOO)(NCoC)	O(BCOO)(NCoC)	B(CCHH)(ON)3	O(BCOO)(NCoC)	O(BCOO)(NCoC)	109.4754	1.005	54	109.4754	1.009	54	109.1949	1.030	84	109.3618	1.358	93	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	4:2:2:2:	4:3:	4:3:	C-4:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(CCHH)(ON)3	O(BCOO)(NFeC)	O(BCOO)(NFeC)	B(CCHH)(ON)3	O(BCOO)(NFeC)	O(BCOO)(NFeC)	108.6900	0.833	30	108.6900	0.694	30	109.1949	1.030	84	109.3618	1.358	93	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	4:2:2:2:	4:3:	4:3:	C[6]-4:O-2:O-2:O-2:	B-4:N-3:	B-4:N-3:	B(C[6]C[6]2H)(ON)3	O(BC[6]OO)(NCoC)	O(BC[6]OO)(NCoC)	B(C[6]C[6]2H)(ON)3	O(BC[6]OO)(NCoC)	O(BC[6]OO)(NCoC)	110.9201	1.381	9	110.9201	1.907	9	110.9201	1.907	9	109.3618	1.358	93	110.4318	5.001	307	110.4318	5.001	307
610	893	893	0:SP3_SP3_SP3	B	O	O	4:2:2:2:	6:4:	6:4:	O-4:O-2:O-2:O-2:	P-6:B-4:	P-6:B-4:	B(OV3)(OP)3	O(PO3VV)(BO3)	O(PO3VV)(BO3)	B(OV3)(OP)3	O(PO3VV)(BO3)	O(PO3VV)(BO3)	107.9540	0.502	3	107.9540	0.252	3	107.9540	0.252	3	107.9540	0.252	3	110.4318	5.001	307	110.4318	5.001	307
610	893	916	0:SP3_SP2_SP3	B	O	O[5]	3:2:2:2:	3:4:	4:4:4:	O[5]-3:O-2:O-2:O-2:	C[6a]-3:B-4:	C[5]-4:C[5]-4:B-4:	B(O[5]C[5]2)(OC[6a])3	O(C[6a]C[6a]2)(BO[5]OO)	O[5](C[5]C[5]HH)2(BO3)	B(O[5]C[5]2)(OC[6a])3	O(C[6a]C[6a]2)(BO[5]OO)	O[5](C[5]C[5]HH)2(BO3){4|H<1>}	103.5927	0.582	3	103.5927	0.338	3	103.5927	0.338	3	103.5927	0.338	3	103.5927	0.338	3	103.5927	0.338	3
610	893	916	0:SP3_SP3_SP3	B	O	O[5]	3:3:3:2:	4:4:	4:4:4:	O[5]-3:C-3:C-3:O-2:	B-4:S-4:	C[5]-4:C[5]-4:B-4:	B(O[5]C[5]2)(CC[6a]C)2(OS)	O(BO[5]CC)(SCOO)	O[5](C[5]C[5]HH)2(BCCO)	B(O[5]C[5]2)(CC[6a]C)2(OS)	O(BO[5]CC)(SCOO)	O[5](C[5]C[5]HH)2(BCCO){4|H<1>}	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1
610	893	930	0:SP3_SP2_SP2	B	O	C	3:3:3:2:	4:3:	3:4:3:	C[6a]-3:C-3:N-3:O-2:	B-4:C-3:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	O(BC[6a]CN)(CCN)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	O(BC[6a]CN)(CCN)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	111.2435	0.012	2	111.2435	0.000	2	111.2435	0.000	2	108.8583	17.067	3	108.1280	9.536	5	108.1280	9.536	5
610	893	930	0:SP3_SP2_SP2	B	O	C	3:3:3:2:	4:3:	3:4:3:	C[6a]-3:C[6a]-3:C-3:O-2:	B-4:C-3:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	O(BC[6a]2C)(CC[6a]H)	C(C[6a]C[6a]2)(BC[6a]2O)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	O(BC[6a]2C)(CC[6a]H)	C(C[6a]C[6a]2)(BC[6a]2O)(CC[6a]Te)	104.0880	0.000	1	104.0880	0.000	1	104.0880	0.000	1	108.8583	17.067	3	108.1280	9.536	5	108.1280	9.536	5
610	893	930	0:SP3_SP2_SP2	B	O	C	3:3:3:2:	4:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-2:	B-4:C-3:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CCH)(OC)	O(BC[6a]2C)(CCC)	C(BC[6a]2O)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(OC)	O(BC[6a]2C)(CCC)	C(BC[6a]2O)(CN[6]C)(H)	107.0325	0.103	2	107.0325	0.011	2	107.0325	0.011	2	107.0325	0.011	2	108.1280	9.536	5	108.1280	9.536	5
610	893	930	0:SP3_SP2_SP3	B	O	C	3:3:2:3:	4:4:	4:3:1:	C[6a]-3:C[6a]-3:O-2:C-3:	N[6]-4:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(ON[6])(CCH)	O(N[6]C[6]2H)(BC[6a]2C)	C(BC[6a]2O)(CC[6a]H)(H)	B(C[6a]C[6a]2)2(ON[6])(CCH)	O(N[6]C[6]2H)(BC[6a]2C)	C(BC[6a]2O)(CC[6a]H)(H)	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	110.8483	2.080	4	110.8483	2.080	4
610	893	930	0:SP3_SP2_SP3	B	O	C	3:3:3:2:	4:4:	3:3:4:	O[5]-3:C-3:C-3:O-2:	B-4:S-4:	C[6a]-3:C-3:B-4:	B(O[5]C[5]2)(CC[6a]C)2(OS)	O(BO[5]CC)(SCOO)	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	B(O[5]C[5]2)(CC[6a]C)2(OS)	O(BO[5]CC)(SCOO)	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	110.3475	2.181	2	110.3475	4.759	2	110.3475	4.759	2	110.3475	4.759	2	110.8483	2.080	4	110.8483	2.080	4
610	893	930	0:SP3_SP2_SP3	B	O	C	3:3:3:2:	4:4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-2:	B-4:S-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CCH)(OS)	O(BC[6a]2C)(SCOO)	C(BC[6a]2O)(CHP)(H)	B(C[6a]C[6a]2)2(CCH)(OS)	O(BC[6a]2C)(SCOO)	C(BC[6a]2O)(CHP)(H)	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	110.8483	2.080	4	110.8483	2.080	4
610	893	951	0:SP3_SP-NON_SP2	B	O	H	3:2:1:1:	4:2:	4:	C[5]-3:O-2:H-1:H-1:	B-4:N-2:	B-4:	B(C[5]N[5]2)(ON)(H)2	O(BC[5]HH)(NO)	H(BC[5]HO)	B(C[5]N[5]2)(ON)(H)2	O(BC[5]HH)(NO)	H(BC[5]HO)	104.8820	5.489	2	104.8820	30.124	2	104.8820	30.124	2	104.8820	30.124	2	107.9340	15.816	10	107.9340	15.816	10
610	893	951	0:SP3_SP-NON_SP2	B	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	B-4:C-3:	B-4:	B(C[6a]C[6a]2)2(OC)(H)	O(BC[6a]2H)(CHO)	H(BC[6a]2O)	B(C[6a]C[6a]2)2(OC)(H)	O(BC[6a]2H)(CHO)	H(BC[6a]2O)	107.3005	1.621	2	107.3005	2.629	2	107.3005	2.629	2	107.3005	2.629	2	107.9340	15.816	10	107.9340	15.816	10
610	893	951	0:SP3_SP-NON_SP2	B	O	H	4:2:1:1:	4:3:	4:	N-4:O-2:H-1:H-1:	B-4:B-3:	B-4:	B(NC3)(OB)(H)2	O(BHHN)(BCN)	H(BHNO)	B(NC3)(OB)(H)2	O(BHHN)(BCN)	H(BHNO)	106.5820	6.459	2	106.5820	41.715	2	106.5820	41.715	2	109.1625	16.220	6	107.9340	15.816	10	107.9340	15.816	10
610	893	951	0:SP3_SP-NON_SP2	B	O	H	4:2:1:1:	4:3:	4:	N-4:O-2:H-1:H-1:	B-4:C-3:	B-4:	B(NC3)(OC)(H)2	O(BHHN)(CHO)	H(BHNO)	B(NC3)(OC)(H)2	O(BHHN)(CHO)	H(BHNO)	108.7685	2.292	2	108.7685	5.252	2	110.4527	6.469	4	109.1625	16.220	6	107.9340	15.816	10	107.9340	15.816	10
610	893	951	0:SP3_SP-NON_SP2	B	O	H	4:2:1:1:	4:3:	4:	N-4:O-2:H-1:H-1:	B-4:C-3:	B-4:	B(NH3)(OC)(H)2	O(BHHN)(CCO)	H(BHNO)	B(NH3)(OC)(H)2	O(BHHN)(CCO)	H(BHNO)	112.1370	1.676	2	112.1370	2.808	2	110.4527	6.469	4	109.1625	16.220	6	107.9340	15.816	10	107.9340	15.816	10
610	893	951	0:SP3_SP-NON_SP3	B	O	H	3:2:1:1:	4:4:	4:	C[5]-3:O-2:H-1:H-1:	B-4:S-4:	B-4:	B(C[5]C[5]N[5])(OS)(H)2	O(BC[5]HH)(SCOO)	H(BC[5]HO)	B(C[5]C[5]N[5])(OS)(H)2	O(BC[5]HH)(SCOO)	H(BC[5]HO)	108.1090	2.602	2	108.1090	6.771	2	108.1090	6.771	2	108.1090	6.771	2	108.5152	3.083	13	108.5152	3.083	13
610	893	951	0:SP3_SP-NON_SP3	B	O	H	3:3:2:1:	4:4:	4:	C[5]-3:C[5]-3:O-2:H-1:	B-4:S-4:	B-4:	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	O(BC[5]2H)(SCOO)	H(BC[5]2O)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	O(BC[5]2H)(SCOO)	H(BC[5]2O)	105.3000	0.000	1	105.3000	0.000	1	105.3000	0.000	1	108.4205	2.968	10	108.5152	3.083	13	108.5152	3.083	13
610	893	951	0:SP3_SP-NON_SP3	B	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	B-4:C-4:	B-4:	B(C[6a]C[6a]2)2(OC)(H)	O(BC[6a]2H)(CC3)	H(BC[6a]2O)	B(C[6a]C[6a]2)2(OC)(H)	O(BC[6a]2H)(CC3)	H(BC[6a]2O)	108.9165	0.595	4	108.9165	0.353	4	108.9165	0.353	4	108.4205	2.968	10	108.5152	3.083	13	108.5152	3.083	13
610	893	951	0:SP3_SP-NON_SP3	B	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	B-4:P-4:	B-4:	B(C[6a]C[6a]2)2(OP)(H)	O(BC[6a]2H)(PC[6a]2H)	H(BC[6a]2O)	B(C[6a]C[6a]2)2(OP)(H)	O(BC[6a]2H)(PC[6a]2H)	H(BC[6a]2O)	107.2050	0.000	1	107.2050	0.000	1	107.8460	0.452	3	108.4205	2.968	10	108.5152	3.083	13	108.5152	3.083	13
610	893	951	0:SP3_SP-NON_SP3	B	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	B-4:P-4:	B-4:	B(C[6a]C[6a]2)2(OP)(H)	O(BC[6a]2H)(PC[6a]CC)	H(BC[6a]2O)	B(C[6a]C[6a]2)2(OP)(H)	O(BC[6a]2H)(PC[6a]CC)	H(BC[6a]2O)	108.1665	0.537	2	108.1665	0.288	2	107.8460	0.452	3	108.4205	2.968	10	108.5152	3.083	13	108.5152	3.083	13
610	893	951	0:SP3_SP-NON_SP3	B	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	N[6]-4:B-4:	B-4:	B(C[6a]C[6a]2)2(ON[6])(H)	O(N[6]C[6]2H)(BC[6a]2H)	H(BC[6a]2O)	B(C[6a]C[6a]2)2(ON[6])(H)	O(N[6]C[6]2H)(BC[6a]2H)	H(BC[6a]2O)	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	108.4205	2.968	10	108.5152	3.083	13	108.5152	3.083	13
610	893	951	0:SP3_SP-NON_SP3	B	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:N[6]-3:O-2:H-1:	B-4:P-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	O(BC[6a]N[6]H)(PC[6a]2O)	H(BC[6a]N[6]O)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	O(BC[6a]N[6]H)(PC[6a]2O)	H(BC[6a]N[6]O)	111.9650	0.000	1	111.9650	0.000	1	111.9650	0.000	1	108.4205	2.968	10	108.5152	3.083	13	108.5152	3.083	13
610	893	951	0:SP3_SP-NON_SP3	B	O	H	4:2:1:1:	4:4:	4:	N-4:O-2:H-1:H-1:	B-4:S-4:	B-4:	B(NC3)(OS)(H)2	O(BHHN)(SCOO)	H(BHNO)	B(NC3)(OS)(H)2	O(BHHN)(SCOO)	H(BHNO)	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	108.5152	3.083	13	108.5152	3.083	13
610	893	956	0:SP3_SP2_SP2	B	O	N	3:3:3:2:	4:3:	3:4:3:	C[6a]-3:C-3:N-3:O-2:	B-4:C-3:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	O(BC[6a]CN)(CCN)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	O(BC[6a]CN)(CCN)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	98.7979	0.194	2	98.7979	0.037	2	98.7979	0.037	2	98.7979	0.037	2	98.7979	0.037	2	98.7979	0.037	2
610	893	956	0:SP3_SP2_SP3	B	O	N	3:3:3:2:	4:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:O-2:	B-4:P-4:	C[6a]-3:B-4:S-4:	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	O(BC[6a]2N)(PC3)	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	O(BC[6a]2N)(PC3)	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1
610	902	924	0:SP3_SP-NON_SP2	B	C[3]	Br	3:3:3:1:	3:4:4:	4:	C[3]-3:C[6a]-3:C[6a]-3:Br-1:	C[3]-3:P[3]-4:B-4:	B-4:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[3](C[3]C[6a]P[3])(P[3]C[3]CC)(BC[6a]2Br)	Br(BC[6a]2C[3])	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[3](C[3]C[6a]P[3])(P[3]C[3]CC)(BC[6a]2Br){2|C<3>}	Br(BC[6a]2C[3])	105.3800	0.000	1	105.3800	0.000	1	105.3800	0.000	1	105.3800	0.000	1	104.2945	2.357	2	104.2945	2.357	2
610	902	924	0:SP3_SP-NON_SP2	B	C[3]	Br	3:3:3:1:	4:3:4:	4:	C[3]-3:C[6a]-3:C[6a]-3:Br-1:	P[3]-4:C[3]-3:B-4:	B-4:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Br)	Br(BC[6a]2C[3])	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Br){4|C<3>}	Br(BC[6a]2C[3])	103.2090	0.000	1	103.2090	0.000	1	103.2090	0.000	1	103.2090	0.000	1	104.2945	2.357	2	104.2945	2.357	2
610	909	909	0:SP3_SP2_SP2	B	S	S	3:2:2:1:	3:4:	3:4:	C[5]-3:S-2:S-2:H-1:	C[6a]-3:B-4:	C[6a]-3:B-4:	B(C[5]N[5]2)(SC[6a])2(H)	S(C[6a]C[6a]2)(BC[5]HS)	S(C[6a]C[6a]2)(BC[5]HS)	B(C[5]N[5]2)(SC[6a])2(H)	S(C[6a]C[6a]2)(BC[5]HS)	S(C[6a]C[6a]2)(BC[5]HS)	103.8700	0.000	1	103.8700	0.000	1	103.8700	0.000	1	103.8700	0.000	1	103.8700	0.000	1	103.8700	0.000	1
610	909	909	0:SP3_SP3_SP3	B	S	S	3:2:2:2:	4:4:	4:4:	C[5]-3:C-2:S-2:S-2:	B-4:C-4:	B-4:C-4:	B(C[5]N[5]2)(CN)(SC)2	S(BC[5]CS)(CCHH)	S(BC[5]CS)(CCHH)	B(C[5]N[5]2)(CN)(SC)2	S(BC[5]CS)(CCHH)	S(BC[5]CS)(CCHH)	112.0185	3.287	2	112.0185	10.807	2	112.0185	10.807	2	109.7288	11.438	8	109.7288	11.438	8	109.7288	11.438	8
610	909	909	0:SP3_SP3_SP3	B	S	S	3:2:2:2:	4:4:	4:4:	C[5]-3:S-2:S-2:S-2:	B-4:C-4:	B-4:C-4:	B(C[5]N[5]2)(SC)3	S(BC[5]SS)(CCHH)	S(BC[5]SS)(CCHH)	B(C[5]N[5]2)(SC)3	S(BC[5]SS)(CCHH)	S(BC[5]SS)(CCHH)	108.9655	3.325	6	108.9655	11.055	6	108.9655	11.055	6	109.7288	11.438	8	109.7288	11.438	8	109.7288	11.438	8
610	909	951	0:SP3_SP-NON_SP2	B	S	H	2:4:1:1:	3:4:	4:	S-2:N-4:H-1:H-1:	C[6a]-3:B-4:	B-4:	B(SC[6a])(NC3)(H)2	S(C[6a]C[6a]2)(BHHN)	H(BHNS)	B(SC[6a])(NC3)(H)2	S(C[6a]C[6a]2)(BHHN)	H(BHNS)	108.0420	4.227	4	108.0420	17.864	4	108.0286	13.061	22	108.0286	13.061	22	108.1958	12.401	24	108.1958	12.401	24
610	909	951	0:SP3_SP-NON_SP2	B	S	H	2:4:1:1:	3:4:	4:	S-2:N-4:H-1:H-1:	C[6a]-3:B-4:	B-4:	B(SC[6a])(NCCH)(H)2	S(C[6a]C[6a]2)(BHHN)	H(BHNS)	B(SC[6a])(NCCH)(H)2	S(C[6a]C[6a]2)(BHHN)	H(BHNS)	107.8002	3.372	16	107.8002	11.372	16	108.0286	13.061	22	108.0286	13.061	22	108.1958	12.401	24	108.1958	12.401	24
610	909	951	0:SP3_SP-NON_SP2	B	S	H	2:4:1:1:	3:4:	4:	S-2:N-4:H-1:H-1:	C[6a]-3:B-4:	B-4:	B(SC[6a])(NCHH)(H)2	S(C[6a]C[6a]2)(BHHN)	H(BHNS)	B(SC[6a])(NCHH)(H)2	S(C[6a]C[6a]2)(BHHN)	H(BHNS)	109.8295	6.541	2	109.8295	42.791	2	108.0286	13.061	22	108.0286	13.061	22	108.1958	12.401	24	108.1958	12.401	24
610	909	951	0:SP3_SP-NON_SP2	B	S	H	3:2:2:1:	3:4:	4:	C[5]-3:S-2:S-2:H-1:	C[6a]-3:B-4:	B-4:	B(C[5]N[5]2)(SC[6a])2(H)	S(C[6a]C[6a]2)(BC[5]HS)	H(BC[5]SS)	B(C[5]N[5]2)(SC[6a])2(H)	S(C[6a]C[6a]2)(BC[5]HS)	H(BC[5]SS)	110.0345	1.892	2	110.0345	3.578	2	110.0345	3.578	2	110.0345	3.578	2	108.1958	12.401	24	108.1958	12.401	24
610	909	951	0:SP3_SP-NON_SP3	B	S	H	4:2:1:1:	4:4:	4:	C-4:S-2:H-1:H-1:	P-4:B-4:	B-4:	B(CHPP)(SP)(H)2	S(PC[6a]2C)(BCHH)	H(BCHS)	B(CHPP)(SP)(H)2	S(PC[6a]2C)(BCHH)	H(BCHS)	104.7600	5.851	2	104.7600	34.230	2	104.7600	34.230	2	107.9215	25.378	4	107.9215	25.378	4	107.9215	25.378	4
610	909	951	0:SP3_SP-NON_SP3	B	S	H	4:2:1:1:	4:4:	4:	N-4:S-2:H-1:H-1:	B-4:C-4:	B-4:	B(NC3)(SC)(H)2	S(BHHN)(CC3)	H(BHNS)	B(NC3)(SC)(H)2	S(BHHN)(CC3)	H(BHNS)	111.0830	1.387	2	111.0830	1.925	2	111.0830	1.925	2	107.9215	25.378	4	107.9215	25.378	4	107.9215	25.378	4
610	909	983	0:SP3_SP1_SP3	B	S	C	2:2:2:2:	4:4:	4:1:	C-2:C-2:C-2:S-2:	C-4:B-4:	B-4:N-1:	B(CN)3(SC)	S(CCHH)(BC3)	C(BCCS)(N)	B(CN)3(SC)	S(CCHH)(BC3)	C(BCCS)(N)	110.3990	3.510	2	110.3990	12.321	2	110.3990	12.321	2	110.3990	12.321	2	108.3862	11.023	9	108.3862	11.023	9
610	909	983	0:SP3_SP1_SP3	B	S	C	2:2:2:2:	4:4:	4:2:	C-2:C-2:C-2:S-2:	C-4:B-4:	B-4:N-2:	B(CN)3(SC)	S(CCHH)(BC3)	C(BCCS)(NSi)	B(CN)3(SC)	S(CCHH)(BC3)	C(BCCS)(NSi)	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.3862	11.023	9	108.3862	11.023	9
610	909	983	0:SP3_SP1_SP3	B	S	C	3:2:2:2:	4:4:	4:1:	C[5]-3:C-2:C-2:S-2:	B-4:C-4:	B-4:N-1:	B(C[5]N[5]2)(CN)2(SC)	S(BC[5]CC)(CCHH)	C(BC[5]CS)(N)	B(C[5]N[5]2)(CN)2(SC)	S(BC[5]CC)(CCHH)	C(BC[5]CS)(N)	111.3535	0.747	2	111.3535	0.559	2	111.3535	0.559	2	107.7792	13.081	6	108.3862	11.023	9	108.3862	11.023	9
610	909	983	0:SP3_SP1_SP3	B	S	C	3:2:2:2:	4:4:	4:1:	C[5]-3:C-2:S-2:S-2:	B-4:C-4:	B-4:N-1:	B(C[5]N[5]2)(CN)(SC)2	S(BC[5]CS)(CCHH)	C(BC[5]SS)(N)	B(C[5]N[5]2)(CN)(SC)2	S(BC[5]CS)(CCHH)	C(BC[5]SS)(N)	105.9920	2.973	4	105.9920	8.840	4	105.9920	8.840	4	107.7792	13.081	6	108.3862	11.023	9	108.3862	11.023	9
610	916	930	0:SP3_SP2_SP3	B	O[5]	C	3:3:3:2:	4:4:4:	3:3:4:	O[5]-3:C-3:C-3:O-2:	C[5]-4:C[5]-4:B-4:	C[6a]-3:C-3:B-4:	B(O[5]C[5]2)(CC[6a]C)2(OS)	O[5](C[5]C[5]HH)2(BCCO)	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	B(O[5]C[5]2)(CC[6a]C)2(OS)	O[5](C[5]C[5]HH)2(BCCO){4|H<1>}	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	108.8700	0.897	2	108.8700	0.804	2	108.8700	0.804	2	108.8700	0.804	2	108.8700	0.804	2	108.8700	0.804	2
610	916	951	0:SP3_SP-NON_SP3	B	O[5]	H	3:4:1:1:	4:4:4:	4:	O[5]-3:N-4:H-1:H-1:	C[5]-4:C[5]-4:B-4:	B-4:	B(O[5]C[5]2)(NH3)(H)2	O[5](C[5]C[5]HH)2(BHHN)	H(BO[5]HN)	B(O[5]C[5]2)(NH3)(H)2	O[5](C[5]C[5]HH)2(BHHN){4|H<1>}	H(BO[5]HN)	110.2215	0.043	2	110.2215	0.002	2	110.2215	0.002	2	110.2215	0.002	2	110.2215	0.002	2	110.2215	0.002	2
610	917	951	0:SP3_SP-NON_SP3	B	P[4]	H	4:1:1:1:	3:3:4:4:	4:	P[4]-4:H-1:H-1:H-1:	C[4,6a]-3:C[4,6a]-3:B-4:C-4:	B-4:	B(P[4]C[4,6a]2C)(H)3	P[4](C[4,6a]C[4,6a,6a]C[6a])2(BH3)(CC3)	H(BP[4]HH)	B(P[4]C[4,6a]2C)(H)3	P[4](C[4,6a]C[4,6a,6a]C[6a])2(BH3)(CC3){2|H<1>,3|C<3>}	H(BP[4]HH)	109.4763	0.031	6	109.4763	0.001	6	109.4763	0.001	6	109.4763	0.001	6	109.4846	0.001	11	109.4846	0.001	11
610	917	951	0:SP3_SP-NON_SP3	B	P[4]	H	4:1:1:1:	4:4:4:4:	4:	P[4]-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:C-4:B-4:	B-4:	B(P[4]C[4]2C)(H)3	P[4](C[4]C[4]CH)2(CCHH)(BH3)	H(BP[4]HH)	B(P[4]C[4]2C)(H)3	P[4](C[4]C[4]CH)2(CCHH)(BH3){2|H<1>}	H(BP[4]HH)	109.4885	0.040	2	109.4885	0.002	2	109.4946	0.001	5	109.4946	0.001	5	109.4846	0.001	11	109.4846	0.001	11
610	917	951	0:SP3_SP-NON_SP3	B	P[4]	H	4:1:1:1:	4:4:4:4:	4:	P[4]-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:C-4:B-4:	B-4:	B(P[4]C[4]2C)(H)3	P[4](C[4]C[4]C[6]H)2(CCHH)(BH3)	H(BP[4]HH)	B(P[4]C[4]2C)(H)3	P[4](C[4]C[4]C[6]H)2(CCHH)(BH3){4|C<4>,4|H<1>}	H(BP[4]HH)	109.4987	0.019	3	109.4987	0.000	3	109.4946	0.001	5	109.4946	0.001	5	109.4846	0.001	11	109.4846	0.001	11
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	1:1:1:1:	4:	4:	Br-1:Br-1:Br-1:Br-1:	B-4:	B-4:	B(Br)4	Br(BBr3)	Br(BBr3)	B(Br)4	Br(BBr3)	Br(BBr3)	109.4423	0.690	26	109.4423	0.476	26	109.4423	0.476	26	109.4298	0.604	29	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	1:1:1:1:	4:	4:	Br-1:Br-1:Br-1:H-1:	B-4:	B-4:	B(Br)3(H)	Br(BBr2H)	Br(BBr2H)	B(Br)3(H)	Br(BBr2H)	Br(BBr2H)	109.3210	1.575	3	109.3210	2.480	3	109.3210	2.480	3	109.4298	0.604	29	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:1:1:1:	4:	4:	C[5]-3:Br-1:Br-1:Br-1:	B-4:	B-4:	B(C[5]N[5]2)(Br)3	Br(BC[5]Br2)	Br(BC[5]Br2)	B(C[5]N[5]2)(Br)3	Br(BC[5]Br2)	Br(BC[5]Br2)	107.2143	1.488	3	107.2143	2.214	3	107.2143	2.214	3	109.3338	10.446	25	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:1:1:1:	4:	4:	C[5]-3:Br-1:Br-1:H-1:	B-4:	B-4:	B(C[5]C[5]N[5])(Br)2(H)	Br(BC[5]BrH)	Br(BC[5]BrH)	B(C[5]C[5]N[5])(Br)2(H)	Br(BC[5]BrH)	Br(BC[5]BrH)	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	109.3338	10.446	25	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:1:1:1:	4:	4:	C[6,6]-3:Br-1:Br-1:Br-1:	B-4:	B-4:	B(C[6,6]C[3x6]N[6,6])(Br)3	Br(BC[6,6]Br2)	Br(BC[6,6]Br2)	B(C[6,6]C[3x6]N[6,6])(Br)3	Br(BC[6,6]Br2)	Br(BC[6,6]Br2)	107.3517	4.232	6	107.3517	17.909	6	107.3517	17.909	6	109.3338	10.446	25	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:1:1:1:	4:	4:	C[6]-3:Br-1:Br-1:Br-1:	B-4:	B-4:	B(C[6]N[6]2)(Br)3	Br(BC[6]Br2)	Br(BC[6]Br2)	B(C[6]N[6]2)(Br)3	Br(BC[6]Br2)	Br(BC[6]Br2)	106.4073	2.467	3	106.4073	6.087	3	106.4073	6.087	3	109.3338	10.446	25	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:1:1:1:	4:	4:	N[5]-3:Br-1:Br-1:Br-1:	B-4:	B-4:	B(N[5]C[5,6a]Se[5])(Br)3	Br(BN[5]Br2)	Br(BN[5]Br2)	B(N[5]C[5,6a]Se[5])(Br)3	Br(BN[5]Br2)	Br(BN[5]Br2)	110.4680	0.785	3	110.4680	0.616	3	110.4680	0.616	3	109.3338	10.446	25	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:1:1:1:	4:	4:	S-3:Br-1:Br-1:Br-1:	B-4:	B-4:	B(SC[6a]C)(Br)3	Br(BBr2S)	Br(BBr2S)	B(SC[6a]C)(Br)3	Br(BBr2S)	Br(BBr2S)	112.0168	1.208	9	112.0168	1.460	9	112.0168	1.460	9	109.3338	10.446	25	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:3:1:1:	4:	4:	C[5]-3:B-3:Br-1:Br-1:	B-4:	B-4:	B(C[5]C[5]N[5])(BBr2)(Br)2	Br(BC[5]BrB)	Br(BC[5]BrB)	B(C[5]C[5]N[5])(BBr2)(Br)2	Br(BC[5]BrB)	Br(BC[5]BrB)	109.2710	0.000	1	109.2710	0.000	1	105.4105	29.807	2	105.2622	10.167	4	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:3:1:1:	4:	4:	C[5]-3:B-3:Br-1:Br-1:	B-4:	B-4:	B(C[5]N[5]2)(BC[6a]2)(Br)2	Br(BC[5]BrB)	Br(BC[5]BrB)	B(C[5]N[5]2)(BC[6a]2)(Br)2	Br(BC[5]BrB)	Br(BC[5]BrB)	101.5500	0.000	1	101.5500	0.000	1	105.4105	29.807	2	105.2622	10.167	4	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:3:1:1:	4:	4:	C[5]-3:C[6a]-3:Br-1:Br-1:	B-4:	B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	Br(BC[6a]C[5]Br)	Br(BC[6a]C[5]Br)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	Br(BC[6a]C[5]Br)	Br(BC[6a]C[5]Br)	105.6650	0.000	1	105.6650	0.000	1	105.6650	0.000	1	105.2622	10.167	4	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:3:1:1:	4:	4:	C[6a]-3:C[6]-3:Br-1:Br-1:	B-4:	B-4:	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	Br(BC[6a]C[6]Br)	Br(BC[6a]C[6]Br)	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	Br(BC[6a]C[6]Br)	Br(BC[6a]C[6]Br)	104.5630	0.000	1	104.5630	0.000	1	104.5630	0.000	1	105.2622	10.167	4	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:4:1:1:	4:	4:	C[6a]-3:N-4:Br-1:Br-1:	B-4:	B-4:	B(C[6a]C[6a]2)(NCCH)(Br)2	Br(BC[6a]BrN)	Br(BC[6a]BrN)	B(C[6a]C[6a]2)(NCCH)(Br)2	Br(BC[6a]BrN)	Br(BC[6a]BrN)	105.4100	0.000	1	105.4100	0.000	1	105.4100	0.000	1	105.5695	0.051	2	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	3:4:1:1:	4:	4:	C[6a]-3:Si-4:Br-1:Br-1:	B-4:	B-4:	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	Br(BC[6a]BrSi)	Br(BC[6a]BrSi)	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	Br(BC[6a]BrSi)	Br(BC[6a]BrSi)	105.7290	0.000	1	105.7290	0.000	1	105.7290	0.000	1	105.5695	0.051	2	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	4:1:1:1:	4:	4:	N-4:Br-1:Br-1:H-1:	B-4:	B-4:	B(NC3)(Br)2(H)	Br(BBrHN)	Br(BBrHN)	B(NC3)(Br)2(H)	Br(BBrHN)	Br(BBrHN)	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	110.8858	1.748	8	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	4:1:1:1:	4:	4:	P-4:Br-1:Br-1:Br-1:	B-4:	B-4:	B(PC3)(Br)3	Br(BBr2P)	Br(BBr2P)	B(PC3)(Br)3	Br(BBr2P)	Br(BBr2P)	111.2598	0.633	6	111.2598	0.401	6	111.2598	0.401	6	110.8858	1.748	8	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	4:1:1:1:	4:	4:	P-4:Br-1:Br-1:H-1:	B-4:	B-4:	B(PC[6]2C)(Br)2(H)	Br(BBrHP)	Br(BBrHP)	B(PC[6]2C)(Br)2(H)	Br(BBrHP)	Br(BBrHP)	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	110.8858	1.748	8	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	4:2:1:1:	4:	4:	P-4:Br-2:Br-1:Br-1:	B-4:	B-4:	B(PC[6a]2C)(BrAl)(Br)2	Br(BBr2P)	Br(BBr2P)	B(PC[6a]2C)(BrAl)(Br)2	Br(BBr2P)	Br(BBr2P)	110.2407	0.401	3	110.2407	0.161	3	110.2407	0.161	3	110.2407	0.161	3	109.2552	6.014	72	109.2552	6.014	72
610	924	924	0:SP3_SP-NON_SP-NON	B	Br	Br	4:3:1:1:	4:	4:	B-4:S-3:Br-1:Br-1:	B-4:	B-4:	B(BBr2S)(SCC)(Br)2	Br(BBrBS)	Br(BBrBS)	B(BBr2S)(SCC)(Br)2	Br(BBrBS)	Br(BBrBS)	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	109.2552	6.014	72	109.2552	6.014	72
610	924	951	0:SP3_SP-NON_SP-NON	B	Br	H	1:1:1:1:	4:	4:	Br-1:Br-1:Br-1:H-1:	B-4:	B-4:	B(Br)3(H)	Br(BBr2H)	H(BBr3)	B(Br)3(H)	Br(BBr2H)	H(BBr3)	109.5683	6.986	3	109.5683	48.798	3	109.5683	48.798	3	109.5683	48.798	3	109.4160	14.456	8	109.4160	14.456	8
610	924	951	0:SP3_SP-NON_SP-NON	B	Br	H	3:1:1:1:	4:	4:	C[5]-3:Br-1:Br-1:H-1:	B-4:	B-4:	B(C[5]C[5]N[5])(Br)2(H)	Br(BC[5]BrH)	H(BC[5]Br2)	B(C[5]C[5]N[5])(Br)2(H)	Br(BC[5]BrH)	H(BC[5]Br2)	108.4575	0.880	2	108.4575	0.775	2	108.4575	0.775	2	108.4575	0.775	2	109.4160	14.456	8	109.4160	14.456	8
610	924	951	0:SP3_SP-NON_SP-NON	B	Br	H	4:1:1:1:	4:	4:	N-4:Br-1:Br-1:H-1:	B-4:	B-4:	B(NC3)(Br)2(H)	Br(BBrHN)	H(BBr2N)	B(NC3)(Br)2(H)	Br(BBrHN)	H(BBr2N)	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	109.9027	0.104	3	109.4160	14.456	8	109.4160	14.456	8
610	924	951	0:SP3_SP-NON_SP-NON	B	Br	H	4:1:1:1:	4:	4:	P-4:Br-1:Br-1:H-1:	B-4:	B-4:	B(PC[6]2C)(Br)2(H)	Br(BBrHP)	H(BBr2P)	B(PC[6]2C)(Br)2(H)	Br(BBrHP)	H(BBr2P)	109.7200	0.083	2	109.7200	0.007	2	109.7200	0.007	2	109.9027	0.104	3	109.4160	14.456	8	109.4160	14.456	8
610	924	992	0:SP3_SP-NON_SP3	B	Br	P	3:3:4:1:	4:	4:4:4:4:	C[6a]-3:B-3:P-4:Br-1:	B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	Br(BC[6a]BP)	P(BC[6a]BrB)(CH3)3	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	Br(BC[6a]BP)	P(BC[6a]BrB)(CH3)3	98.8797	0.000	1	98.8797	0.000	1	98.8797	0.000	1	98.8797	0.000	1	109.4846	19.477	15	109.4846	19.477	15
610	924	992	0:SP3_SP-NON_SP3	B	Br	P	4:1:1:1:	4:	4:3:3:3:	P-4:Br-1:Br-1:Br-1:	B-4:	B-4:C-3:C-3:C-3:	B(PC3)(Br)3	Br(BBr2P)	P(BBr3)(CCH)3	B(PC3)(Br)3	Br(BBr2P)	P(BBr3)(CCH)3	107.1020	0.272	3	107.1020	0.074	3	107.1020	0.074	3	107.1020	0.074	3	109.4846	19.477	15	109.4846	19.477	15
610	924	992	0:SP3_SP-NON_SP3	B	Br	P	4:1:1:1:	4:	4:4:4:4:	P-4:Br-1:Br-1:Br-1:	B-4:	B-4:C-4:C-4:C-4:	B(PC3)(Br)3	Br(BBr2P)	P(BBr3)(CCHH)3	B(PC3)(Br)3	Br(BBr2P)	P(BBr3)(CCHH)3	108.1223	0.800	3	108.1223	0.640	3	108.1223	0.640	3	108.0634	2.822	5	109.4846	19.477	15	109.4846	19.477	15
610	924	992	0:SP3_SP-NON_SP3	B	Br	P	4:1:1:1:	4:	4:4:4:4:	P-4:Br-1:Br-1:H-1:	B-4:	C[6]-4:C[6]-4:B-4:C-4:	B(PC[6]2C)(Br)2(H)	Br(BBrHP)	P(C[6]C[6]2H)2(BBr2H)(CCHH)	B(PC[6]2C)(Br)2(H)	Br(BBrHP)	P(C[6]C[6]2H)2(BBr2H)(CCHH)	107.9750	3.159	2	107.9750	9.982	2	107.9750	9.982	2	108.0634	2.822	5	109.4846	19.477	15	109.4846	19.477	15
610	924	992	0:SP3_SP-NON_SP3	B	Br	P	4:2:1:1:	4:	3:3:4:3:	P-4:Br-2:Br-1:Br-1:	B-4:	C[6a]-3:C[6a]-3:B-4:C-3:	B(PC[6a]2C)(BrAl)(Br)2	Br(BBr2P)	P(C[6a]C[6a]2)2(BBr3)(CAlC)	B(PC[6a]2C)(BrAl)(Br)2	Br(BBr2P)	P(C[6a]C[6a]2)2(BBr3)(CAlC)	113.6277	1.932	6	113.6277	3.731	6	113.6277	3.731	6	113.6277	3.731	6	109.4846	19.477	15	109.4846	19.477	15
610	930	930	0:SP3_SP2_SP2	B	C	C	3:3:3:2:	3:3:4:	3:3:4:	O[5]-3:C-3:C-3:O-2:	C[6a]-3:C-3:B-4:	C[6a]-3:C-3:B-4:	B(O[5]C[5]2)(CC[6a]C)2(OS)	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	B(O[5]C[5]2)(CC[6a]C)2(OS)	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	108.8409	44.710	10	108.8409	44.710	10
610	930	930	0:SP3_SP2_SP2	B	C	C	3:3:3:3:	3:4:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:B-4:C-3:	C-3:B-4:H-1:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	C(CC[6a]C[5])(BC[6a]2C)(H)	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	108.8409	44.710	10	108.8409	44.710	10
610	930	930	0:SP3_SP2_SP2	B	C	C	3:3:3:3:	3:4:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:B-4:C-3:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	C(BC[6a]2C)(CC[6a]P)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	C(BC[6a]2C)(CC[6a]P)(H)	108.3440	0.000	1	108.3440	0.000	1	112.6698	23.212	5	112.6698	23.212	5	108.8409	44.710	10	108.8409	44.710	10
610	930	930	0:SP3_SP2_SP2	B	C	C	3:3:3:3:	3:4:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:B-4:C-3:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	C(BC[6a]2C)(CCP)(H)	115.9660	2.302	3	115.9660	5.297	3	112.6698	23.212	5	112.6698	23.212	5	108.8409	44.710	10	108.8409	44.710	10
610	930	930	0:SP3_SP2_SP2	B	C	C	3:3:3:3:	3:4:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:B-4:C-3:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	C(BC[6a]2C)(CC[6a]Te)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	C(BC[6a]2C)(CC[6a]Te)(H)	107.1070	0.000	1	107.1070	0.000	1	112.6698	23.212	5	112.6698	23.212	5	108.8409	44.710	10	108.8409	44.710	10
610	930	930	0:SP3_SP2_SP2	B	C	C	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-3:C-3:	B-4:C[6a]-3:C-3:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	98.6126	1.583	2	98.6126	2.507	2	98.6126	2.507	2	100.8724	16.574	3	108.8409	44.710	10	108.8409	44.710	10
610	930	930	0:SP3_SP2_SP2	B	C	C	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:N[6]-3:C-3:C-3:	B-4:C[6a]-3:C-3:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	105.3920	0.000	1	105.3920	0.000	1	105.3920	0.000	1	100.8724	16.574	3	108.8409	44.710	10	108.8409	44.710	10
610	930	941	0:SP3_SP2_SP2	B	C	N	3:3:3:2:	4:2:3:	4:2:	C[6a]-3:C[6a]-3:C-3:N-2:	B-4:S-2:C-3:	B-4:C-2:	B(C[6a]C[6a]2)2(CCS)(NC)	C(BC[6a]2N)(SC[6a])(CCH)	N(BC[6a]2C)(CC)	B(C[6a]C[6a]2)2(CCS)(NC)	C(BC[6a]2N)(SC[6a])(CCH)	N(BC[6a]2C)(CC)	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:1:1:1:	4:2:1:	4:	C-3:H-1:H-1:H-1:	B-4:O-2:O-1:	B-4:	B(COO)(H)3	C(BH3)(OH)(O)	H(BCHH)	B(COO)(H)3	C(BH3)(OH)(O)	H(BCHH)	110.8150	2.690	3	110.8150	7.238	3	110.8150	7.238	3	110.8150	7.238	3	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:1:1:	4:3:3:	4:	C[5]-3:C-3:H-1:H-1:	B-4:C-3:C-3:	B-4:	B(C[5]N[5]2)(CCC)(H)2	C(BC[5]HH)(CCH)(COO)	H(BC[5]CH)	B(C[5]N[5]2)(CCC)(H)2	C(BC[5]HH)(CCH)(COO)	H(BC[5]CH)	108.1390	7.518	2	108.1390	56.520	2	108.1390	56.520	2	108.1390	56.520	2	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:1:1:	4:3:4:	4:	C[5]-3:C-3:H-1:H-1:	B-4:C-3:Si-4:	B-4:	B(C[5]N[5]2)(CSiC)(H)2	C(BC[5]HH)(CC[6a]H)(SiC3)	H(BC[5]CH)	B(C[5]N[5]2)(CSiC)(H)2	C(BC[5]HH)(CC[6a]H)(SiC3)	H(BC[5]CH)	110.5525	2.065	2	110.5525	4.266	2	110.5525	4.266	2	110.5525	4.266	2	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:B-4:C-3:	B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	H(BC[6a]2C)	106.7210	0.909	2	106.7210	0.827	2	106.5208	2.138	5	106.5208	2.138	5	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:B-4:C-3:	B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	H(BC[6a]2C)	108.6260	0.000	1	108.6260	0.000	1	106.5208	2.138	5	106.5208	2.138	5	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:B-4:C-3:	B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	H(BC[6a]2C)	105.4580	0.000	1	105.4580	0.000	1	106.5208	2.138	5	106.5208	2.138	5	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:B-4:C-3:	B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	H(BC[6a]2C)	105.0780	0.000	1	105.0780	0.000	1	106.5208	2.138	5	106.5208	2.138	5	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:3:1:	3:4:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[5]-3:B-4:C-4:	B-4:	B(C[6a]C[6a]2)2(CC[5]C)(H)	C(C[5]P[5]2)(BC[6a]2H)(CH3)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CC[5]C)(H)	C(C[5]P[5]2)(BC[6a]2H)(CH3)	H(BC[6a]2C)	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:3:1:	4:2:1:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	B-4:O-2:H-1:	B-4:	B(C[6a]C[6a]2)2(CHO)(H)	C(BC[6a]2H)(OZr)(H)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CHO)(H)	C(BC[6a]2H)(OZr)(H)	H(BC[6a]2C)	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	B-4:C-3:H-1:	B-4:	B(C[6a]C[6a]2)2(CCH)(H)	C(BC[6a]2H)(CN[6]C)(H)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CCH)(H)	C(BC[6a]2H)(CN[6]C)(H)	H(BC[6a]2C)	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	B-4:C-4:O-2:	B-4:	B(C[6a]C[6a]2)2(CCO)(H)	C(BC[6a]2H)(CH3)(OZr)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CCO)(H)	C(BC[6a]2H)(CH3)(OZr)	H(BC[6a]2C)	104.7830	0.000	1	104.7830	0.000	1	104.7830	0.000	1	104.7830	0.000	1	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	B-4:P-4:C-3:	B-4:	B(C[6a]C[6a]2)2(CCP)(H)	C(BC[6a]2H)(PC[6a]HH)(CCH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CCP)(H)	C(BC[6a]2H)(PC[6a]HH)(CCH)	H(BC[6a]2C)	107.7550	0.000	1	107.7550	0.000	1	107.7550	0.000	1	107.7550	0.000	1	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	4:3:1:1:	4:2:1:	4:	N-4:C-3:H-1:H-1:	B-4:O-2:O-1:	B-4:	B(NC[3x6]HH)(COO)(H)2	C(BHHN)(OH)(O)	H(BCHN)	B(NC[3x6]HH)(COO)(H)2	C(BHHN)(OH)(O)	H(BCHN)	110.1900	0.666	2	110.1900	0.444	2	110.1900	0.444	2	109.6752	0.357	5	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	4:3:1:1:	4:2:1:	4:	N[3x6]-4:C-3:H-1:H-1:	B-4:O-2:O-1:	B-4:	B(N[3x6]C[6,6]3)(COO)(H)2	C(BN[3x6]HH)(OC[6a])(O)	H(BN[3x6]CH)	B(N[3x6]C[6,6]3)(COO)(H)2	C(BN[3x6]HH)(OC[6a])(O)	H(BN[3x6]CH)	109.4615	0.036	2	109.4615	0.001	2	109.3320	0.051	3	109.6752	0.357	5	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	4:3:1:1:	4:2:1:	4:	N[3x6]-4:C-3:H-1:H-1:	B-4:O-2:O-1:	B-4:	B(N[3x6]C[6,6]3)(COO)(H)2	C(BN[3x6]HH)(OH)(O)	H(BN[3x6]CH)	B(N[3x6]C[6,6]3)(COO)(H)2	C(BN[3x6]HH)(OH)(O)	H(BN[3x6]CH)	109.0730	0.000	1	109.0730	0.000	1	109.3320	0.051	3	109.6752	0.357	5	108.3627	8.090	23	108.3627	8.090	23
610	930	951	0:SP3_SP-NON_SP2	B	C	H	4:3:2:1:	4:2:1:	4:	P-4:C-3:C-2:H-1:	B-4:O-2:O-1:	B-4:	B(PC[6]3)(COO)(CN)(H)	C(BCHP)(OC)(O)	H(BCCP)	B(PC[6]3)(COO)(CN)(H)	C(BCHP)(OC)(O)	H(BCCP)	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	108.3627	8.090	23	108.3627	8.090	23
610	930	956	0:SP3_SP2_SP2	B	C	N	3:3:3:2:	3:4:3:	3:4:3:	C[6a]-3:C-3:N-3:O-2:	C[6a]-3:B-4:C-3:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	110.9310	1.382	2	110.9310	1.909	2	110.9310	1.909	2	110.9310	1.909	2	110.3140	2.097	3	110.3140	2.097	3
610	930	956	0:SP3_SP2_SP2	B	C	N	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:N[6]-3:C-3:N-3:	B-4:C[6a]-3:C-3:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	110.3140	2.097	3	110.3140	2.097	3
610	930	983	0:SP3_SP1_SP2	B	C	C	3:3:3:2:	3:4:3:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:B-4:C-3:	B-4:N-2:	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	C(BC[6a]2C)(NC)	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	C(BC[6a]2C)(NC)	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	109.6478	13.762	5	109.6478	13.762	5
610	930	983	0:SP3_SP1_SP2	B	C	C	3:3:3:2:	4:3:1:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	B-4:C-3:H-1:	B-4:C-2:	B(C[6a]C[6a]2)2(CCH)(CC)	C(BC[6a]2C)(CN[6]C)(H)	C(BC[6a]2C)(CC[6a])	B(C[6a]C[6a]2)2(CCH)(CC)	C(BC[6a]2C)(CN[6]C)(H)	C(BC[6a]2C)(CC[6a])	114.5330	0.000	1	114.5330	0.000	1	114.5330	0.000	1	114.5330	0.000	1	109.6478	13.762	5	109.6478	13.762	5
610	930	983	0:SP3_SP1_SP2	B	C	C	3:3:3:2:	4:3:4:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	B-4:C-3:C-4:	B-4:N-2:	B(C[6a]C[6a]2)2(CCC)(CN)	C(BC[6a]2C)(CC[6a]P)(CH3)	C(BC[6a]2C)(NC)	B(C[6a]C[6a]2)2(CCC)(CN)	C(BC[6a]2C)(CC[6a]P)(CH3)	C(BC[6a]2C)(NC)	109.8520	0.000	1	109.8520	0.000	1	107.3985	12.039	2	107.3985	12.039	2	109.6478	13.762	5	109.6478	13.762	5
610	930	983	0:SP3_SP1_SP2	B	C	C	3:3:3:2:	4:3:4:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	B-4:C-3:C-4:	B-4:N-2:	B(C[6a]C[6a]2)2(CCC)(CN)	C(BC[6a]2C)(CC[6a]Si)(CCHH)	C(BC[6a]2C)(NC)	B(C[6a]C[6a]2)2(CCC)(CN)	C(BC[6a]2C)(CC[6a]Si)(CCHH)	C(BC[6a]2C)(NC)	104.9450	0.000	1	104.9450	0.000	1	107.3985	12.039	2	107.3985	12.039	2	109.6478	13.762	5	109.6478	13.762	5
610	930	983	0:SP3_SP1_SP2	B	C	C	4:3:2:1:	4:2:1:	4:1:	P-4:C-3:C-2:H-1:	B-4:O-2:O-1:	B-4:N-1:	B(PC[6]3)(COO)(CN)(H)	C(BCHP)(OC)(O)	C(BCHP)(N)	B(PC[6]3)(COO)(CN)(H)	C(BCHP)(OC)(O)	C(BCHP)(N)	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	109.6478	13.762	5	109.6478	13.762	5
610	930	992	0:SP3_SP2_SP3	B	C	P	4:3:2:1:	4:2:1:	4:4:4:4:	P-4:C-3:C-2:H-1:	B-4:O-2:O-1:	C[6]-4:C[6]-4:C[6]-4:B-4:	B(PC[6]3)(COO)(CN)(H)	C(BCHP)(OC)(O)	P(C[6]C[6]2H)3(BCCH)	B(PC[6]3)(COO)(CN)(H)	C(BCHP)(OC)(O)	P(C[6]C[6]2H)3(BCCH)	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1
610	941	941	0:SP3_SP2_SP2	B	N	N	2:2:2:2:	4:2:	4:2:	N-2:N-2:N-2:N-2:	B-4:C-2:	B-4:C-2:	B(NC)4	N(BN3)(CS)	N(BN3)(CS)	B(NC)4	N(BN3)(CS)	N(BN3)(CS)	109.4708	0.357	6	109.4708	0.127	6	109.4708	0.127	6	109.4708	0.127	6	110.6325	8.787	13	110.6325	8.787	13
610	941	941	0:SP3_SP2_SP2	B	N	N	3:2:2:2:	4:2:	4:2:	N[6]-3:N-2:N-2:N-2:	B-4:N-2:	B-4:N-2:	B(N[6]C[6,6a]C[6])(NN)3	N(BN[6]NN)(NN)	N(BN[6]NN)(NN)	B(N[6]C[6,6a]C[6])(NN)3	N(BN[6]NN)(NN)	N(BN[6]NN)(NN)	110.5200	5.650	3	110.5200	31.927	3	111.9710	16.967	6	111.9710	16.967	6	110.6325	8.787	13	110.6325	8.787	13
610	941	941	0:SP3_SP2_SP2	B	N	N	3:2:2:2:	4:2:	4:2:	N[6]-3:N-2:N-2:N-2:	B-4:N-2:	B-4:N-2:	B(N[6]C[6]2)(NN)3	N(BN[6]NN)(NN)	N(BN[6]NN)(NN)	B(N[6]C[6]2)(NN)3	N(BN[6]NN)(NN)	N(BN[6]NN)(NN)	113.4220	2.043	3	113.4220	4.175	3	111.9710	16.967	6	111.9710	16.967	6	110.6325	8.787	13	110.6325	8.787	13
610	941	941	0:SP3_SP2_SP2	B	N	N	3:3:2:2:	4:2:	4:2:	C[6a]-3:N[6]-3:N-2:N-2:	B-4:N-2:	B-4:N-2:	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	N(BC[6a]N[6]N)(NN)	N(BC[6a]N[6]N)(NN)	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	N(BC[6a]N[6]N)(NN)	N(BC[6a]N[6]N)(NN)	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	110.6325	8.787	13	110.6325	8.787	13
610	941	951	0:SP3_SP-NON_SP2	B	N	H	3:2:1:1:	4:2:	4:	C[5]-3:N-2:H-1:H-1:	B-4:C-2:	B-4:	B(C[5]N[5]2)(NC)(H)2	N(BC[5]HH)(CO)	H(BC[5]HN)	B(C[5]N[5]2)(NC)(H)2	N(BC[5]HH)(CO)	H(BC[5]HN)	110.1655	1.374	2	110.1655	1.888	2	109.0358	3.340	4	108.3793	11.789	6	108.7393	7.375	10	108.7393	7.375	10
610	941	951	0:SP3_SP-NON_SP2	B	N	H	3:2:1:1:	4:2:	4:	C[5]-3:N-2:H-1:H-1:	B-4:C-2:	B-4:	B(C[5]N[5]2)(NC)(H)2	N(BC[5]HH)(CS)	H(BC[5]HN)	B(C[5]N[5]2)(NC)(H)2	N(BC[5]HH)(CS)	H(BC[5]HN)	107.9060	1.739	2	107.9060	3.026	2	109.0358	3.340	4	108.3793	11.789	6	108.7393	7.375	10	108.7393	7.375	10
610	941	951	0:SP3_SP-NON_SP2	B	N	H	3:2:1:1:	4:2:	4:	C[5]-3:N-2:H-1:H-1:	B-4:N-2:	B-4:	B(C[5]N[5]2)(NN)(H)2	N(BC[5]HH)(NN)	H(BC[5]HN)	B(C[5]N[5]2)(NN)(H)2	N(BC[5]HH)(NN)	H(BC[5]HN)	107.0665	6.615	2	107.0665	43.758	2	107.0665	43.758	2	108.3793	11.789	6	108.7393	7.375	10	108.7393	7.375	10
610	941	951	0:SP3_SP-NON_SP2	B	N	H	3:2:1:1:	4:4:	4:	C[5]-3:N-2:H-1:H-1:	B-4:Si-4:	B-4:	B(C[5]N[5]2)(NSi)(H)2	N(BC[5]HH)(SiSiHH)	H(BC[5]HN)	B(C[5]N[5]2)(NSi)(H)2	N(BC[5]HH)(SiSiHH)	H(BC[5]HN)	109.9795	1.856	2	109.9795	3.445	2	109.9795	3.445	2	109.9795	3.445	2	108.7393	7.375	10	108.7393	7.375	10
610	941	951	0:SP3_SP-NON_SP2	B	N	H	3:3:2:1:	4:2:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	B-4:C-2:	B-4:	B(C[6a]C[6a]2)2(NC)(H)	N(BC[6a]2H)(CC)	H(BC[6a]2N)	B(C[6a]C[6a]2)2(NC)(H)	N(BC[6a]2H)(CC)	H(BC[6a]2N)	108.5790	0.283	2	108.5790	0.080	2	108.5790	0.080	2	108.5790	0.080	2	108.7393	7.375	10	108.7393	7.375	10
610	944	944	0:SP3_SP-NON_SP-NON	B	I	I	3:1:1:1:	4:	4:	C[5]-3:I-1:I-1:I-1:	B-4:	B-4:	B(C[5]C[5]N[5])(I)3	I(BC[5]II)	I(BC[5]II)	B(C[5]C[5]N[5])(I)3	I(BC[5]II)	I(BC[5]II)	109.1250	1.364	3	109.1250	1.860	3	108.0547	2.167	6	108.0547	2.167	6	109.6245	4.895	26	109.6245	4.895	26
610	944	944	0:SP3_SP-NON_SP-NON	B	I	I	3:1:1:1:	4:	4:	C[5]-3:I-1:I-1:I-1:	B-4:	B-4:	B(C[5]N[5]2)(I)3	I(BC[5]II)	I(BC[5]II)	B(C[5]N[5]2)(I)3	I(BC[5]II)	I(BC[5]II)	106.9843	0.346	3	106.9843	0.120	3	108.0547	2.167	6	108.0547	2.167	6	109.6245	4.895	26	109.6245	4.895	26
610	944	944	0:SP3_SP-NON_SP-NON	B	I	I	4:1:1:1:	4:	4:	P-4:I-1:I-1:I-1:	B-4:	B-4:	B(PC3)(I)3	I(BIIP)	I(BIIP)	B(PC3)(I)3	I(BIIP)	I(BIIP)	110.8490	1.275	15	110.8490	1.626	15	110.8490	1.626	15	110.5959	1.749	18	109.6245	4.895	26	109.6245	4.895	26
610	944	944	0:SP3_SP-NON_SP-NON	B	I	I	4:1:1:1:	4:	4:	Si-4:I-1:I-1:I-1:	B-4:	B-4:	B(SiI3)(I)3	I(BSiII)	I(BSiII)	B(SiI3)(I)3	I(BSiII)	I(BSiII)	109.3303	0.775	3	109.3303	0.601	3	109.3303	0.601	3	110.5959	1.749	18	109.6245	4.895	26	109.6245	4.895	26
610	944	944	0:SP3_SP-NON_SP-NON	B	I	I	4:3:1:1:	4:	4:	B-4:S-3:I-1:I-1:	B-4:	B-4:	B(BIIS)(SCC)(I)2	I(BBIS)	I(BBIS)	B(BIIS)(SCC)(I)2	I(BBIS)	I(BBIS)	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	105.5910	17.500	2	109.6245	4.895	26	109.6245	4.895	26
610	944	944	0:SP3_SP-NON_SP-NON	B	I	I	4:3:1:1:	4:	4:	P-4:B-3:I-1:I-1:	B-4:	B-4:	B(PC[6]2C)(BC[6a]2)(I)2	I(BBIP)	I(BBIP)	B(PC[6]2C)(BC[6a]2)(I)2	I(BBIP)	I(BBIP)	102.6330	0.000	1	102.6330	0.000	1	102.6330	0.000	1	105.5910	17.500	2	109.6245	4.895	26	109.6245	4.895	26
610	944	951	0:SP3_SP-NON_SP-NON	B	I	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:I-1:	B-4:	B-4:	B(C[5]N[5]2)(H)2(I)	I(BC[5]HH)	H(BC[5]HI)	B(C[5]N[5]2)(H)2(I)	I(BC[5]HH)	H(BC[5]HI)	102.7945	0.685	2	102.7945	0.469	2	102.7945	0.469	2	102.7945	0.469	2	102.7945	0.469	2	102.7945	0.469	2
610	944	983	0:SP3_SP-NON_SP1	B	I	C	3:2:2:1:	4:	4:1:	C[5]-3:C-2:C-2:I-1:	B-4:	B-4:N-1:	B(C[5]N[5]2)(CN)2(I)	I(BC[5]CC)	C(BC[5]CI)(N)	B(C[5]N[5]2)(CN)2(I)	I(BC[5]CC)	C(BC[5]CI)(N)	106.4587	1.383	4	106.4587	1.914	4	106.4587	1.914	4	106.4587	1.914	4	106.4587	1.914	4	106.4587	1.914	4
610	944	992	0:SP3_SP-NON_SP3	B	I	P	4:1:1:1:	4:	4:3:3:2:	P-4:I-1:I-1:I-1:	B-4:	B-4:C-3:C-3:C-2:	B(PC3)(I)3	I(BIIP)	P(BI3)(CCH)2(CC)	B(PC3)(I)3	I(BIIP)	P(BI3)(CCH)2(CC)	107.1030	0.321	3	107.1030	0.103	3	107.1030	0.103	3	107.1030	0.103	3	107.9717	3.657	17	107.9717	3.657	17
610	944	992	0:SP3_SP-NON_SP3	B	I	P	4:1:1:1:	4:	4:4:4:4:	P-4:I-1:I-1:I-1:	B-4:	C-4:C-4:C-4:B-4:	B(PC3)(I)3	I(BIIP)	P(CCHH)3(BI3)	B(PC3)(I)3	I(BIIP)	P(CCHH)3(BI3)	108.2864	1.765	12	108.2864	3.114	12	108.2864	3.114	12	108.2864	3.114	12	107.9717	3.657	17	107.9717	3.657	17
610	944	992	0:SP3_SP-NON_SP3	B	I	P	4:3:1:1:	4:	4:4:4:4:	P-4:B-3:I-1:I-1:	B-4:	C[6]-4:C[6]-4:B-4:C-4:	B(PC[6]2C)(BC[6a]2)(I)2	I(BBIP)	P(C[6]C[6]2H)2(BBII)(CH3)	B(PC[6]2C)(BC[6a]2)(I)2	I(BBIP)	P(C[6]C[6]2H)2(BBII)(CH3)	107.3865	4.463	2	107.3865	19.914	2	107.3865	19.914	2	107.3865	19.914	2	107.9717	3.657	17	107.9717	3.657	17