874	813	856	0:SP3_SP2_SP2	B[6]	N[5a,6]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:N[6]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C[6]-3:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H)	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H){2|H<1>,3|C<4>,6|C<3>}	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,4|C<3>}	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2{2|H<1>,5|C<3>}	109.2335	2.763	2	109.2335	7.632	2	109.2335	7.632	2	109.2335	7.632	2	109.2335	7.632	2	109.2335	7.632	2
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2{1|C<4>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,6|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C){2|H<1>,4|C<3>}	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	106.7144	2.399	7	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6,6a]-3:C[5a]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){7|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	106.7144	2.399	7	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){1|N<3>,3|C<3>,3|H<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	106.7144	2.399	7	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|Cl<1>,1|N<2>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl){2|H<1>,3|C<3>}	105.6750	0.000	1	105.6750	0.000	1	105.5195	0.203	4	106.7144	2.399	7	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	105.2870	0.000	1	105.2870	0.000	1	105.5195	0.203	4	106.7144	2.399	7	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	105.5580	0.725	2	105.5580	0.526	2	105.5195	0.203	4	106.7144	2.399	7	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:3:4:	4:3:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	107.3685	0.540	2	107.3685	0.291	2	107.3685	0.291	2	107.3685	0.291	2	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	108.1160	0.000	1	108.1160	0.000	1	107.3860	0.473	11	107.3860	0.473	11	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	106.2890	0.000	1	106.2890	0.000	1	107.3860	0.473	11	107.3860	0.473	11	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	107.6395	0.086	2	107.2563	0.210	7	107.3860	0.473	11	107.3860	0.473	11	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	107.0390	0.468	2	107.2563	0.210	7	107.3860	0.473	11	107.3860	0.473	11	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	107.4470	0.250	2	107.2563	0.210	7	107.3860	0.473	11	107.3860	0.473	11	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	106.5430	0.000	1	107.2563	0.210	7	107.3860	0.473	11	107.3860	0.473	11	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	107.3890	0.000	1	107.3890	0.000	1	107.3860	0.473	11	107.3860	0.473	11	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	108.6580	0.000	1	108.6580	0.000	1	107.3860	0.473	11	107.3860	0.473	11	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:N[6,6]-3:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(C[6a]C[6a]2)2	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(C[6a]C[6a]2)2{1|B<4>,6|H<1>,8|C<3>}	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|H<1>,5|C<3>}	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,9|C<3>}	102.7280	0.021	2	102.7280	0.000	2	102.7280	0.000	2	102.7280	0.000	2	106.7473	2.714	22	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	106.6940	0.000	1	107.7474	0.328	10	107.7474	0.328	10	107.7474	0.328	10	107.6343	0.342	12	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	107.9027	0.287	4	107.7474	0.328	10	107.7474	0.328	10	107.7474	0.328	10	107.6343	0.342	12	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	108.3775	0.286	2	107.7474	0.328	10	107.7474	0.328	10	107.7474	0.328	10	107.6343	0.342	12	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,2|N<3>,4|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	107.4713	0.442	3	107.7474	0.328	10	107.7474	0.328	10	107.7474	0.328	10	107.6343	0.342	12	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:2:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:N[6]-2:C-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	107.2260	0.000	1	107.2260	0.000	1	107.0690	0.049	2	107.0690	0.049	2	107.6343	0.342	12	107.0604	2.026	34
874	813	856	6:SP3_SP2_SP2	B[6]	N[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:2:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:N[6]-2:C-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF){1|C<3>,1|N<2>,3|H<1>}	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	106.9120	0.000	1	106.9120	0.000	1	107.0690	0.049	2	107.0690	0.049	2	107.6343	0.342	12	107.0604	2.026	34
874	813	876	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	H	3:3:3:2:	4:3:3:	4:4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	H(B[6]N[5a,6]2C[6a])2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){1|N<3>,2|H<1>,6|C<3>}	H(B[6]N[5a,6]2C[6a])2	98.9271	8.304	2	98.9271	68.958	2	98.2041	65.004	4	98.2041	65.004	4	98.2041	65.004	4	98.2041	65.004	4
874	813	876	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	H	3:3:3:2:	4:3:3:	4:4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	H(B[6]N[5a,6]2C[6a])2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|H<1>,5|C<3>}	H(B[6]N[5a,6]2C[6a])2	97.4811	11.134	2	97.4811	123.964	2	98.2041	65.004	4	98.2041	65.004	4	98.2041	65.004	4	98.2041	65.004	4
874	813	893	0:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(CC[5]O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)(CC[5]O)	113.8043	4.702	3	113.8043	22.109	3	113.2797	13.828	6	114.3841	8.030	143	114.2851	8.671	152	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(CHN)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)(CHN)	112.7550	3.411	3	112.7550	11.634	3	113.2797	13.828	6	114.3841	8.030	143	114.2851	8.671	152	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C[6a]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){2|N<2>,4|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	107.1070	0.000	1	114.4324	7.819	137	114.4324	7.819	137	114.3841	8.030	143	114.2851	8.671	152	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C[6a]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	114.4863	2.734	136	114.4324	7.819	137	114.4324	7.819	137	114.3841	8.030	143	114.2851	8.671	152	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	O	3:3:3:2:	4:3:3:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	O(B[3x6]N[5a,6,6]3)(CCO)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	O(B[3x6]N[5a,6,6]3)(CCO)	111.3603	4.406	3	111.3603	19.415	3	111.7458	16.308	6	112.7129	18.182	9	114.2851	8.671	152	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	O	3:3:3:2:	4:3:3:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	O(B[3x6]N[5a,6,6]3)(CC[6a]O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	O(B[3x6]N[5a,6,6]3)(CC[6a]O)	112.1313	4.573	3	112.1313	20.909	3	111.7458	16.308	6	112.7129	18.182	9	114.2851	8.671	152	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	O	3:3:3:2:	4:3:3:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C[6a]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{6|C<3>}	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	114.6470	4.852	3	114.6470	23.541	3	114.6470	23.541	3	112.7129	18.182	9	114.2851	8.671	152	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[6]	N[5a,6]	O	3:3:2:1:	3:4:3:	4:3:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2F)(CCO)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	O(B[6]N[5a,6]2F)(CCO)	112.0090	0.850	4	112.0090	0.722	4	112.0090	0.722	4	112.0090	0.722	4	111.5151	10.117	14	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[6]	N[5a,6]	O	3:3:2:2:	3:3:4:	4:3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	C[5a,6,6]-3:C[5a,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|S<2>,6|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|C<2>,1|H<1>,5|C<3>}	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	110.3315	8.076	2	110.3315	65.220	2	110.3315	65.220	2	110.4123	39.014	4	111.5151	10.117	14	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[6]	N[5a,6]	O	3:3:2:2:	3:3:4:	4:3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|O<2>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|H<1>,6|C<3>}	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	110.4930	7.197	2	110.4930	51.796	2	110.4930	51.796	2	110.4123	39.014	4	111.5151	10.117	14	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[6]	N[5a,6]	O	3:3:2:2:	3:4:3:	4:3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2O)(CCO)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	O(B[6]N[5a,6]2O)(CCO)	112.5300	0.136	2	112.5300	0.018	2	112.5300	0.018	2	111.9212	1.097	6	111.5151	10.117	14	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP2	B[6]	N[5a,6]	O	3:3:2:2:	3:4:3:	4:3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|C<4>,3|C<3>}	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	111.6167	1.205	4	111.6167	1.451	4	111.6167	1.451	4	111.9212	1.097	6	111.5151	10.117	14	114.0515	9.328	166
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:H-1:	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(H)	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)(H)	115.9503	2.560	3	115.9503	6.555	3	115.9503	6.555	3	115.9503	6.555	3	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)2	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6]){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)2	115.8029	1.786	15	115.8029	3.189	15	115.8029	3.189	15	114.3597	9.107	54	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(CCHH)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)(CCHH)	115.0420	3.459	3	115.0420	11.966	3	115.0418	9.951	6	114.3597	9.107	54	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(CC[5]HH)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)(CC[5]HH)	115.0417	3.593	3	115.0417	12.911	3	115.0418	9.951	6	114.3597	9.107	54	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:S-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OS)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(SCOO)	B[3x6](N[5a,6,6]C[5a,6]2)3(OS){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)(SCOO)	113.0723	3.158	12	113.0723	9.973	12	113.0470	11.822	24	114.3597	9.107	54	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:S-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OS)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(SC[6a]OO)	B[3x6](N[5a,6,6]C[5a,6]2)3(OS){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)(SC[6a]OO)	113.0217	3.840	12	113.0217	14.745	12	113.0470	11.822	24	114.3597	9.107	54	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:Si-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi)	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(SiC[6a]3)	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi){9|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O){8|C<3>}	O(B[3x6]N[5a,6,6]3)(SiC[6a]3)	113.4273	1.530	3	113.4273	2.340	3	115.0001	4.662	9	114.3597	9.107	54	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	3:3:4:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:Si-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	O(B[3x6]N[5a,6,6]3)(SiC3)	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	O(B[3x6]N[5a,6,6]3)(SiC3)	115.7865	2.073	6	115.7865	4.296	6	115.0001	4.662	9	114.3597	9.107	54	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	4:3:3:	4:1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:H-1:	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	O(B[3x6]N[5a,6,6]3)(H)	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{1|C<4>,5|C<3>}	O(B[3x6]N[5a,6,6]3)(H)	113.4310	0.000	1	115.5673	5.261	6	115.5673	5.261	6	115.5673	5.261	6	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	4:3:3:	4:1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:H-1:	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	O(B[3x6]N[5a,6,6]3)(H)	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{2|C<4>,4|C<3>}	O(B[3x6]N[5a,6,6]3)(H)	115.9946	2.282	5	115.5673	5.261	6	115.5673	5.261	6	115.5673	5.261	6	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	4:3:3:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	O(B[3x6]N[5a,6,6]3)(CC[6a]HH)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	O(B[3x6]N[5a,6,6]3)(CC[6a]HH)	114.0437	3.733	3	114.0437	13.934	3	113.8018	8.327	24	113.8018	8.327	24	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	4:3:3:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	O(B[3x6]N[5a,6,6]3)(CH3)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|C<4>,6|C<3>}	O(B[3x6]N[5a,6,6]3)(CH3)	113.2767	3.224	3	113.7673	8.173	21	113.8018	8.327	24	113.8018	8.327	24	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[3x6]	N[5a,6,6]	O	3:3:3:2:	4:3:3:	4:4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	O(B[3x6]N[5a,6,6]3)(CH3)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	O(B[3x6]N[5a,6,6]3)(CH3)	113.8491	2.888	18	113.7673	8.173	21	113.8018	8.327	24	113.8018	8.327	24	114.3439	8.575	87	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[6]	N[5a,6]	O	3:3:2:1:	3:4:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:S-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2F)(SCOO)	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	O(B[6]N[5a,6]2F)(SCOO)	110.1230	0.318	2	110.1230	0.101	2	110.1230	0.101	2	110.1230	0.101	2	111.3423	0.704	48	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[6]	N[5a,6]	O	3:3:2:2:	3:4:3:	4:1:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:H-1:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2O)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH){2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	O(B[6]N[5a,6]2O)(H)	109.1940	0.322	2	109.1940	0.104	2	109.1940	0.104	2	109.1940	0.104	2	111.3423	0.704	48	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[6]	N[5a,6]	O	3:3:2:2:	3:4:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2O)(CCCH)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	O(B[6]N[5a,6]2O)(CCCH)	111.2947	0.516	4	111.2947	0.266	4	111.5158	0.449	43	111.5158	0.449	43	111.3423	0.704	48	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[6]	N[5a,6]	O	3:3:2:2:	3:4:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2O)(CCHH)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	O(B[6]N[5a,6]2O)(CCHH)	111.8083	1.299	4	111.6615	0.651	14	111.5158	0.449	43	111.5158	0.449	43	111.3423	0.704	48	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[6]	N[5a,6]	O	3:3:2:2:	3:4:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2O)(CCHH)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	O(B[6]N[5a,6]2O)(CCHH)	111.6028	0.604	10	111.6615	0.651	14	111.5158	0.449	43	111.5158	0.449	43	111.3423	0.704	48	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[6]	N[5a,6]	O	3:3:2:2:	3:4:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2O)(CC[5a]HH)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	O(B[6]N[5a,6]2O)(CC[5a]HH)	111.4544	0.990	8	111.4544	0.981	8	111.5158	0.449	43	111.5158	0.449	43	111.3423	0.704	48	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[6]	N[5a,6]	O	3:3:2:2:	3:4:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	O(B[6]N[5a,6]2O)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	O(B[6]N[5a,6]2O)(CH3)	111.4766	0.371	17	111.4766	0.137	17	111.5158	0.449	43	111.5158	0.449	43	111.3423	0.704	48	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[6]	N[5a,6]	O	3:3:3:2:	4:3:3:	4:4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:O-2:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC)	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	O(B[6]N[5a,6]2C[6a])(CCHH)	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC){4|H<1>,7|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	O(B[6]N[5a,6]2C[6a])(CCHH)	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	111.3423	0.704	48	113.2081	8.035	137
874	813	893	0:SP3_SP2_SP3	B[6]	N[5a]	O	3:3:3:2:	4:3:2:	4:4:	N[5,6]-3:N[5,6]-3:N[5a]-3:O-2:	B[6]-4:C[5a]-3:N[5a]-2:	B[6]-4:B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6])	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a])	O(B[6]N[5,6]2N[5a])2	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6]){1|B<4>,3|H<1>,6|C<3>}	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	O(B[6]N[5,6]2N[5a])2	108.5810	0.225	2	108.5810	0.051	2	108.5810	0.051	2	108.5810	0.051	2	108.5810	0.051	2	113.2081	8.035	137
874	813	909	0:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	S	3:3:3:2:	3:3:4:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:S-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C[6a]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(SC[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S)	S(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	B[3x6](N[5a,6,6]C[5a,6]2)3(SC[6a]){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S){6|C<3>}	S(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	114.1487	2.973	3	114.1487	8.842	3	114.1487	8.842	3	114.1487	8.842	3	114.1487	8.842	3	114.1487	8.842	3
874	813	924	0:SP3_SP-NON_SP2	B[3x6]	N[5a,6,6]	Br	3:3:3:1:	3:3:4:	4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(Br)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br)	Br(B[3x6]N[5a,6,6]3)	B[3x6](N[5a,6,6]C[5a,6]2)3(Br){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br){6|C<3>}	Br(B[3x6]N[5a,6,6]3)	113.0510	1.485	7	113.0510	2.206	7	113.0510	2.206	7	113.0510	2.206	7	113.0510	2.206	7	113.0510	2.206	7
874	813	930	0:SP3_SP2_SP2	B[3x6]	N[5a,6,6]	C	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:C-3:C-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC)	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	112.7323	3.030	3	112.7323	9.180	3	112.7323	9.180	3	112.7323	9.180	3	112.7323	9.180	3	109.9722	8.361	11
874	813	930	0:SP3_SP2_SP2	B[6]	N[5a,6]	C	3:3:3:3:	3:3:4:	4:3:1:	N[5a,6]-3:N[5a,6]-3:C-3:C-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:C-3:H-1:	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C(B[6]N[5a,6]2C)(CHH)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C(B[6]N[5a,6]2C)(CHH)(H)	108.9371	2.198	8	108.9371	4.832	8	108.9371	4.832	8	108.9371	4.832	8	108.9371	4.832	8	109.9722	8.361	11
874	813	951	0:SP3_SP-NON_SP2	B[3x6]	N[5a,6,6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)3(H)	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2	H(B[3x6]N[5a,6,6]3)	B[3x6](N[5a,6,6]C[5a,6]2)3(H){9|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	H(B[3x6]N[5a,6,6]3)	114.0230	1.266	9	114.0230	1.604	9	114.0230	1.604	9	114.0230	1.604	9	114.0230	1.604	9	112.7328	3.949	15
874	813	951	0:SP3_SP-NON_SP2	B[6]	N[5a,6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6]-3:N[6]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H)	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	H(B[6]N[5a,6]2N[6])	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H){2|H<1>,3|C<4>,6|C<3>}	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,4|C<3>}	H(B[6]N[5a,6]2N[6])	110.0070	0.010	2	110.0070	0.000	2	110.0070	0.000	2	110.0070	0.000	2	110.0070	0.000	2	112.7328	3.949	15
874	813	951	0:SP3_SP-NON_SP2	B[6]	N[5a]	H	3:3:3:1:	4:3:2:	4:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	H(B[6]N[5,6]2N[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,2|H<1>,7|C<3>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	H(B[6]N[5,6]2N[5a])	111.5475	0.214	2	111.1927	1.045	4	111.1927	1.045	4	111.1927	1.045	4	111.1927	1.045	4	112.7328	3.949	15
874	813	951	0:SP3_SP-NON_SP2	B[6]	N[5a]	H	3:3:3:1:	4:3:2:	4:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	H(B[6]N[5,6]2N[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,3|H<1>,6|C<3>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	H(B[6]N[5,6]2N[5a])	110.8380	1.608	2	111.1927	1.045	4	111.1927	1.045	4	111.1927	1.045	4	111.1927	1.045	4	112.7328	3.949	15
874	813	983	0:SP3_SP1_SP2	B[3x6]	N[5a,6,6]	C	3:3:3:2:	3:3:4:	4:2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C-2:	B[3x6](N[5a,6,6]C[5a,6]2)3(CC)	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C)	C(B[3x6]N[5a,6,6]3)(CC)	B[3x6](N[5a,6,6]C[5a,6]2)3(CC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C){2|C<2>,4|C<3>}	C(B[3x6]N[5a,6,6]3)(CC)	115.1950	1.951	6	115.1950	3.806	6	115.2314	2.364	18	115.2314	2.364	18	115.2314	2.364	18	111.9043	12.092	38
874	813	983	0:SP3_SP1_SP2	B[3x6]	N[5a,6,6]	C	3:3:3:2:	3:3:4:	4:2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C-2:	B[3x6](N[5a,6,6]C[5a,6]2)3(CC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C)	C(B[3x6]N[5a,6,6]3)(CC)	B[3x6](N[5a,6,6]C[5a,6]2)3(CC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C){6|C<3>}	C(B[3x6]N[5a,6,6]3)(CC)	115.1403	2.284	3	115.1403	5.216	3	115.2314	2.364	18	115.2314	2.364	18	115.2314	2.364	18	111.9043	12.092	38
874	813	983	0:SP3_SP1_SP2	B[3x6]	N[5a,6,6]	C	3:3:3:2:	3:3:4:	4:2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C-2:	B[3x6](N[5a,6,6]C[5a,6]2)3(CC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C)	C(B[3x6]N[5a,6,6]3)(CC[5])	B[3x6](N[5a,6,6]C[5a,6]2)3(CC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C){6|C<3>}	C(B[3x6]N[5a,6,6]3)(CC[5])	115.3323	0.903	3	115.3323	0.815	3	115.2314	2.364	18	115.2314	2.364	18	115.2314	2.364	18	111.9043	12.092	38
874	813	983	0:SP3_SP1_SP2	B[3x6]	N[5a,6,6]	C	3:3:3:2:	3:3:4:	4:2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	B[3x6]-4:C-2:	B[3x6](N[5a,6,6]C[5a,6]2)3(CC)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C)	C(B[3x6]N[5a,6,6]3)(CC[6a])	B[3x6](N[5a,6,6]C[5a,6]2)3(CC){3|N<2>,6|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C){6|C<3>}	C(B[3x6]N[5a,6,6]3)(CC[6a])	115.2630	1.343	6	115.2630	1.804	6	115.2314	2.364	18	115.2314	2.364	18	115.2314	2.364	18	111.9043	12.092	38
874	813	983	0:SP3_SP1_SP2	B[6]	N[5a,6]	C	3:3:2:1:	3:3:4:	4:1:	N[5a,6]-3:N[5a,6]-3:C-2:F-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:N-1:	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF)	C(B[6]N[5a,6]2F)(N)	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F){1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF){1|N<3>,5|C<3>}	C(B[6]N[5a,6]2F)(N)	109.1630	0.231	2	109.1630	0.053	2	109.1630	0.053	2	109.1630	0.053	2	108.9100	1.507	20	111.9043	12.092	38
874	813	983	0:SP3_SP1_SP2	B[6]	N[5a,6]	C	3:3:2:2:	3:3:4:	4:1:	N[5a,6]-3:N[5,6]-3:C-2:C-2:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6]-4:N-1:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC)	C(B[6]N[5a,6]N[5,6]C)(N)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2{1|S<2>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC){1|H<1>,6|C<3>}	C(B[6]N[5a,6]N[5,6]C)(N)	110.2215	1.812	2	110.2215	3.284	2	110.2215	3.284	2	110.2215	3.284	2	108.9100	1.507	20	111.9043	12.092	38
874	813	983	0:SP3_SP1_SP2	B[6]	N[5a,6]	C	3:3:2:2:	3:3:4:	4:2:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:C-2:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC)	C(B[6]N[5a,6]2C)(CC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC){1|H<1>,6|C<3>}	C(B[6]N[5a,6]2C)(CC[6a])	107.8090	1.295	4	107.8090	1.677	4	108.1930	1.845	8	108.1930	1.845	8	108.9100	1.507	20	111.9043	12.092	38
874	813	983	0:SP3_SP1_SP2	B[6]	N[5a,6]	C	3:3:2:2:	3:3:4:	4:2:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	C[5a,6]-3:C[5a]-3:B[6]-4:	B[6]-4:C-2:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C(B[6]N[5a,6]2C)(CSi)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C(B[6]N[5a,6]2C)(CSi)	108.5770	1.495	4	108.5770	2.236	4	108.1930	1.845	8	108.1930	1.845	8	108.9100	1.507	20	111.9043	12.092	38
874	813	983	0:SP3_SP1_SP2	B[6]	N[5a,6]	C	3:3:2:2:	3:4:3:	4:2:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C-2:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C(B[6]N[5a,6]2C)(CC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C(B[6]N[5a,6]2C)(CC[6a])	109.5547	0.834	4	109.2357	0.551	8	109.2357	0.551	8	109.2357	0.551	8	108.9100	1.507	20	111.9043	12.092	38
874	813	983	0:SP3_SP1_SP2	B[6]	N[5a,6]	C	3:3:2:2:	3:4:3:	4:2:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6]-4:C-2:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C(B[6]N[5a,6]2C)(CC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<3>,3|C<4>}	C(B[6]N[5a,6]2C)(CC[6a])	108.9168	0.564	4	109.2357	0.551	8	109.2357	0.551	8	109.2357	0.551	8	108.9100	1.507	20	111.9043	12.092	38
874	818	818	0:SP3_SP2_SP2	B[6,6]	C[5]	C[5]	4:4:3:3:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2{4|C<3>,6|C<4>,8|H<1>}	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2{2|Cl<1>,2|H<1>,2|N<3>,4|C<4>}	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2{2|Cl<1>,2|H<1>,2|N<3>,4|C<4>}	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1
874	818	818	6:SP3_SP2_SP2	B[6]	C[5,6]	C[5,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	B[6](C[5,6]C[5,6]C[5])2(F)2	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C)	B[6](C[5,6]C[5,6]C[5])2(F)2{2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.7580	0.000	1	106.7580	0.000	1	106.7580	0.000	1	106.7580	0.000	1	106.7580	0.000	1	106.7580	0.000	1
874	818	830	0:SP3_SP-NON_SP2	B[6]	C[5,6]	F	3:3:1:1:	3:4:3:	4:	C[5,6]-3:C[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](C[5,6]C[5,6]C[5])2(F)2	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C)	F(B[6]C[5,6]2F)	B[6](C[5,6]C[5,6]C[5])2(F)2{2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	F(B[6]C[5,6]2F)	110.3617	0.578	3	110.3617	0.334	3	110.3617	0.334	3	110.3617	0.334	3	110.3617	0.334	3	110.3617	0.334	3
874	818	854	6:SP3_SP2_SP3	B[6]	C[5,6]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[5,6]-3:N[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:B[6]-4:	B[6]-4:C[6]-4:C-4:H-1:	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]N[6]HH)	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]N[6]HH){2|C<3>,2|C<4>,5|H<1>}	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1
874	818	856	0:SP3_SP2_SP2	B[6]	C[5,6]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:N[6]-3:H-1:	B[6]-4:N[5,6]-3:N[5]-3:	B[6]-4:C[6]-3:C[6]-3:	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H)	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H)	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C){4|C<3>,4|H<1>}	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1
874	818	941	0:SP3_SP2_SP2	B[6]	C[5]	N	3:3:3:2:	4:3:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:N-2:	B[6]-4:N[5]-3:N[5]-3:	B[6]-4:C-2:	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC)	C[5](B[6]C[6,6a]2N)(N[5]C[6a]C[5])2	N(B[6]C[6,6a]2C[5])(CC)	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC){1|B<4>,2|H<1>,8|C<3>}	C[5](B[6]C[6,6a]2N)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N(B[6]C[6,6a]2C[5])(CC)	104.2870	0.000	1	104.2870	0.000	1	104.2870	0.000	1	104.2870	0.000	1	104.2870	0.000	1	104.2870	0.000	1
874	818	944	0:SP3_SP-NON_SP2	B[6,6]	C[5]	I	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:I-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I)	C[5](B[6,6]C[6,6]2I)(N[5]B[6,6]C[5])(N[5]C[5]C)	I(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I){1|B<3>,2|C<3>,3|C<4>,8|H<1>}	C[5](B[6,6]C[6,6]2I)(N[5]B[6,6]C[5])(N[5]C[5]C){4|H<1>,6|C<4>}	I(B[6,6]C[6,6]2C[5])	95.1064	0.000	1	95.1064	0.000	1	95.1064	0.000	1	95.1064	0.000	1	95.1064	0.000	1	95.1064	0.000	1
874	818	951	0:SP3_SP-NON_SP2	B[6,6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	N[5,5]-3:N[5,5]-3:B[6,6]-4:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H)	C[5](N[5,5]C[5,5]C[5])2(B[6,6]C[6,6]2H)	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[5](N[5,5]C[5,5]C[5])2(B[6,6]C[6,6]2H){2|O<2>,4|H<1>,8|C<4>}	H(B[6,6]C[6,6]2C[5])	107.5040	0.829	2	107.5040	0.687	2	107.5040	0.687	2	107.5040	0.687	2	103.3049	11.029	13	104.5976	14.965	17
874	818	951	0:SP3_SP-NON_SP2	B[6,6]	C[5]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[5]-3:N[5]-3:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H)	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5])	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5]){2|H<1>,4|C<4>,6|C<3>}	H(B[6,6]C[6,6]2C[5])	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	102.5414	8.999	11	103.3049	11.029	13	104.5976	14.965	17
874	818	951	0:SP3_SP-NON_SP2	B[6,6]	C[5]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{2|Cl<1>,2|H<1>,4|C<4>}	H(B[6,6]C[6,6]2C[5])	101.3220	0.000	1	101.6835	5.157	8	101.9789	6.131	10	102.5414	8.999	11	103.3049	11.029	13	104.5976	14.965	17
874	818	951	0:SP3_SP-NON_SP2	B[6,6]	C[5]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{2|H<1>,6|C<4>}	H(B[6,6]C[6,6]2C[5])	101.7645	0.899	2	101.6835	5.157	8	101.9789	6.131	10	102.5414	8.999	11	103.3049	11.029	13	104.5976	14.965	17
874	818	951	0:SP3_SP-NON_SP2	B[6,6]	C[5]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{4|C<4>,4|H<1>}	H(B[6,6]C[6,6]2C[5])	101.7233	2.964	5	101.6835	5.157	8	101.9789	6.131	10	102.5414	8.999	11	103.3049	11.029	13	104.5976	14.965	17
874	818	951	0:SP3_SP-NON_SP2	B[6,6]	C[5]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])(N[5]C[5]C)	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){3|C<3>,3|C<4>,8|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,4|C<4>,4|H<1>}	H(B[6,6]C[6,6]2C[5])	105.9520	0.000	1	105.9520	0.000	1	101.9789	6.131	10	102.5414	8.999	11	103.3049	11.029	13	104.5976	14.965	17
874	818	951	0:SP3_SP-NON_SP2	B[6,6]	C[5]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])2	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<4>,4|C<3>,8|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])2{4|C<3>,4|C<4>,4|H<1>}	H(B[6,6]C[6,6]2C[5])	100.3690	0.000	1	100.3690	0.000	1	101.9789	6.131	10	102.5414	8.999	11	103.3049	11.029	13	104.5976	14.965	17
874	818	951	0:SP3_SP-NON_SP2	B[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:N[6]-3:H-1:	B[6]-4:N[5,6]-3:N[5]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H)	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C)	H(B[6]C[6,6a]C[5,6]N[6])	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C){4|C<3>,4|H<1>}	H(B[6]C[6,6a]C[5,6]N[6])	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.7990	4.921	4	104.5976	14.965	17
874	818	951	0:SP3_SP-NON_SP2	B[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:N[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:B[6]-4:	B[6]-4:	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]N[6]HH)	H(B[6]C[5,6]N[6]H)	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]N[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(B[6]C[5,6]N[6]H)	110.1880	2.326	2	110.1880	5.412	2	110.1880	5.412	2	110.1880	5.412	2	108.7990	4.921	4	104.5976	14.965	17
874	818	951	0:SP3_SP-NON_SP2	B[6]	C[5,6]	H	3:4:3:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:N-3:H-1:	N[5,6]-3:N[5]-3:B[6]-4:	B[6]-4:	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(B[6]C[6]HN)	H(B[6]C[5,6]C[6]N)	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H){5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(B[6]C[6]HN){2|C<4>,2|H<1>,4|C<3>}	H(B[6]C[5,6]C[6]N)	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	108.7990	4.921	4	104.5976	14.965	17
874	818	956	0:SP3_SP2_SP2	B[6]	C[5,6]	N	3:4:3:1:	3:3:4:	4:4:4:	C[5,6]-3:C[6]-4:N-3:H-1:	N[5,6]-3:N[5]-3:B[6]-4:	B[6]-4:C-4:C-4:	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(B[6]C[6]HN)	N(B[6]C[5,6]C[6]H)(CCCH)2	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H){5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(B[6]C[6]HN){2|C<4>,2|H<1>,4|C<3>}	N(B[6]C[5,6]C[6]H)(CCCH)2	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|C<3>,1|C<4>,1|N<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	110.9260	0.000	1	109.6603	11.432	3	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	109.0275	4.523	2	109.6603	11.432	3	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<3>,2|C<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	110.0570	0.000	1	110.6133	0.182	7	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<4>,2|C<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	110.9070	0.000	1	110.6133	0.182	7	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	110.6658	0.413	5	110.6133	0.182	7	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6])(O[6]N[6])(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6])(O[6]N[6])(F)2{1|C<3>,1|N<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	111.3170	0.000	1	111.3170	0.000	1	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<3>,1|C<4>,1|O<2>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	111.9410	0.000	1	110.7827	0.972	111	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	111.8635	0.978	4	110.7827	0.972	111	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|C<4>,2|C<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	110.7848	0.611	4	110.7827	0.972	111	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|O<2>,2|C<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	111.7660	0.000	1	110.7827	0.972	111	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{1|S<2>,2|C<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	111.0890	0.000	1	110.7827	0.972	111	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6])2(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]C[6])2(F)2{3|C<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	110.7150	0.981	100	110.7827	0.972	111	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]P[6])2(F)2	F(B[6]O[6]2F)	F(B[6]O[6]2F)	B[6](O[6]P[6])2(F)2{1|C<4>,4|C<3>}	F(B[6]O[6]2F)	F(B[6]O[6]2F)	114.6830	0.000	1	114.6830	0.000	1	110.7818	1.232	123	110.7818	1.232	123	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2{1|C<3>,3|C<4>}	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	109.4040	0.508	3	109.4040	0.258	3	109.6342	1.009	19	109.6342	1.009	19	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2{2|C<3>,2|C<4>,2|H<1>}	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	108.2345	0.036	2	108.2345	0.001	2	109.6342	1.009	19	109.6342	1.009	19	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	109.6679	0.874	12	109.6679	0.764	12	109.6342	1.009	19	109.6342	1.009	19	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2{1|H<1>,2|C<3>}	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	111.1765	0.636	2	111.1765	0.404	2	109.6342	1.009	19	109.6342	1.009	19	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2	F(B[6]C[6,6a]O[6]F)	F(B[6]C[6,6a]O[6]F)	B[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(F)2{1|H<1>,2|C<3>,2|N<3>}	F(B[6]C[6,6a]O[6]F)	F(B[6]C[6,6a]O[6]F)	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)2{1|N<3>,4|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	111.3010	0.649	3	111.3010	0.421	3	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	110.7660	0.018	2	110.7654	0.240	9	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	110.4168	0.475	4	110.7654	0.240	9	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	111.2300	0.236	3	110.7654	0.240	9	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2{1|N<2>,1|N<3>,3|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	110.7670	0.857	2	110.7670	0.734	2	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2{1|N<3>,1|S<2>,3|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	111.8650	0.100	2	111.8650	0.010	2	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|C<4>,4|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	110.5770	0.000	1	110.9340	0.255	2	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|O<2>,4|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	111.2910	0.000	1	110.9340	0.255	2	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	110.5075	0.973	13	110.2813	0.810	24	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|O<2>,4|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	110.1953	0.832	6	110.2813	0.810	24	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	F(B[6]N[5,6]O[6]F)	F(B[6]N[5,6]O[6]F)	109.7964	0.694	5	110.2813	0.810	24	110.5875	0.732	42	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[5a,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2	F(B[6]N[5a,6]O[6]F)	F(B[6]N[5a,6]O[6]F)	B[6](N[5a,6]C[5a,6]C[5a])(O[6]C[4,6])(F)2{1|C<4>,4|C<3>}	F(B[6]N[5a,6]O[6]F)	F(B[6]N[5a,6]O[6]F)	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	110.3512	0.813	14	110.5702	0.946	26	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<3>,3|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	111.0970	0.000	1	110.5702	0.946	26	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	110.5953	0.992	10	110.5702	0.946	26	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	112.8590	0.000	1	110.5702	0.946	26	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	111.4125	0.012	2	111.4125	0.000	2	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	111.9430	0.000	1	111.9430	0.000	1	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	110.2370	0.000	2	110.6471	1.166	39	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	110.1296	0.832	14	110.6471	1.166	39	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,2|C<3>,2|N<2>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	112.5193	0.837	3	110.6471	1.166	39	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|N<2>,4|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	110.1020	0.000	1	110.6471	1.166	39	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{2|N<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	112.5102	0.120	4	110.6471	1.166	39	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	F(B[6]N[6,6]O[6]F)	110.3499	0.516	15	110.6471	1.166	39	110.6593	1.059	68	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	109.9830	0.000	1	109.9830	0.000	1	110.4505	2.307	28	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	110.3812	1.631	23	110.3812	2.660	23	110.4505	2.307	28	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	110.4590	0.576	2	110.5593	0.196	3	110.4505	2.307	28	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	110.7600	0.000	1	110.5593	0.196	3	110.4505	2.307	28	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2{4|C<3>}	F(B[6]N[6]O[6]F)	F(B[6]N[6]O[6]F)	112.1840	0.000	1	112.1840	0.000	1	110.4505	2.307	28	110.5915	1.185	140	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	C[5,6]-3:C[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](C[5,6]C[5,6]C[5])2(F)2	F(B[6]C[5,6]2F)	F(B[6]C[5,6]2F)	B[6](C[5,6]C[5,6]C[5])2(F)2{2|C<4>,5|C<3>}	F(B[6]C[5,6]2F)	F(B[6]C[5,6]2F)	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|N<3>,1|O<1>,4|C<3>}	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	110.1440	0.000	1	109.8893	0.643	4	110.4459	1.242	7	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<3>,1|O<1>,5|C<3>}	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	110.9000	0.000	1	109.8893	0.643	4	110.4459	1.242	7	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,1|S<2>,5|C<3>}	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	109.2565	0.203	2	109.8893	0.643	4	110.4459	1.242	7	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(F)2	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	B[6](N[5,6]N[5,6]C[5])2(F)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	112.5100	0.000	1	111.1880	1.317	3	110.4459	1.242	7	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(F)2	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	B[6](N[5,6]N[5,6]C[5])2(F)2{1|B<4>,2|H<1>,4|C<3>}	F(B[6]N[5,6]2F)	F(B[6]N[5,6]2F)	110.5270	0.107	2	111.1880	1.317	3	110.4459	1.242	7	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	110.7368	0.444	5	110.5765	0.497	12	110.4468	0.717	18	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	110.4620	0.862	7	110.5765	0.497	12	110.4468	0.717	18	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	109.8625	0.614	4	110.1873	1.225	6	110.4468	0.717	18	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|N<3>,1|S<2>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	109.4720	0.000	1	110.1873	1.225	6	110.4468	0.717	18	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|O<2>,1|S<2>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	112.2020	0.000	1	110.1873	1.225	6	110.4468	0.717	18	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,3|C<4>,4|C<3>}	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	108.0860	0.337	2	108.0860	0.113	2	108.7144	0.467	16	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	108.4074	0.503	5	108.4074	0.253	5	108.7144	0.467	16	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	108.9429	0.683	8	108.9429	0.466	8	108.7144	0.467	16	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2{1|S<2>,5|C<3>}	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	109.6780	0.000	1	109.6780	0.000	1	108.7144	0.467	16	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2{1|O<2>,6|C<3>}	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	109.3510	0.000	1	109.3510	0.000	1	109.9167	0.574	13	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	108.9705	0.025	2	109.5588	0.470	4	109.9167	0.574	13	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|H<1>,3|C<3>,3|C<4>}	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	110.0330	0.000	1	109.5588	0.470	4	109.9167	0.574	13	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|N<4>,1|O<1>,5|C<3>}	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	110.2610	0.000	1	109.5588	0.470	4	109.9167	0.574	13	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	109.7543	1.064	3	109.8270	0.775	4	109.9167	0.574	13	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|O<2>,2|C<4>,3|C<3>}	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	110.0450	0.000	1	109.8270	0.775	4	109.9167	0.574	13	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2{1|C<4>,1|N<2>,1|S<2>,4|C<3>}	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	110.0495	0.209	2	110.0495	0.044	2	109.9167	0.574	13	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|N<2>,1|S<2>,5|C<3>}	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	110.8490	0.000	1	110.9620	0.026	2	109.9167	0.574	13	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|S<2>,6|C<3>}	F(B[6]N[5a,6]N[5,6]F)	F(B[6]N[5a,6]N[5,6]F)	111.0750	0.000	1	110.9620	0.026	2	109.9167	0.574	13	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{2|C<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.8290	0.000	1	109.8290	0.000	1	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|N<3>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	107.4740	0.000	1	108.4890	2.060	2	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,1|S<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.5040	0.000	1	108.4890	2.060	2	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|O<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.1210	0.000	1	109.4694	0.407	12	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{2|S<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	108.6110	0.000	1	109.4694	0.407	12	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,5a]C[5a,6])2(F)2{7|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.4901	0.607	10	109.4694	0.407	12	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6,6]C[5a])(N[5a,6]C[5a,6]C[5a])(F)2{2|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	108.0710	0.000	1	108.0710	0.000	1	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	108.0663	0.032	3	108.0663	0.001	3	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]2)2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]2)2(F)2{2|C<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	111.3120	0.593	2	110.9780	0.510	3	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]2)2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]2)2(F)2{7|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.3100	0.000	1	110.9780	0.510	3	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]2)(F)2{2|C<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.9255	0.480	2	109.9255	0.231	2	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|C<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.3110	0.676	3	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|N<3>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.4290	0.567	2	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,1|O<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	111.0310	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Br<1>,6|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.5400	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<2>,1|C<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.6205	0.217	2	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.0427	0.392	4	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,1|N<3>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.0100	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|C<4>,6|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	108.8306	0.848	16	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.5860	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|C<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.5220	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	111.0480	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Cl<1>,6|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.6670	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|N<3>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	108.3679	1.834	8	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|O<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.6453	0.375	3	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.8980	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,1|S<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	111.4810	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.1732	0.945	18	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<2>,6|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.8529	0.715	16	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|N<3>,6|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.7270	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{1|Pd<4>,1|C<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.5400	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Br<1>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	111.1023	0.341	11	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<1>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	108.0295	0.893	2	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.5326	0.693	5	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|C<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.2114	0.661	200	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Cl<1>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	111.2262	0.531	17	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|H<1>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.2330	0.766	158	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|I<1>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.5495	0.620	2	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|N<3>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.7260	1.167	2	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|O<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.1400	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|Pd<4>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	108.8890	0.000	1	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{2|S<2>,5|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	111.1443	1.272	3	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6]C[5a])2(F)2{7|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.1477	1.566	45	109.4936	1.089	530	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|C<4>,6|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.3625	0.155	2	110.1963	0.488	7	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{1|H<1>,6|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	111.0175	0.059	2	110.1963	0.488	7	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]C[5a])(F)2{7|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.2047	0.285	3	110.1963	0.488	7	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{1|N<2>,6|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	110.8770	0.000	1	109.9105	3.990	8	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(F)2{7|C<3>}	F(B[6]N[5a,6]2F)	F(B[6]N[5a,6]2F)	109.7724	2.116	7	109.9105	3.990	8	109.5040	1.121	569	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2{1|C<4>,6|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	109.2320	0.000	1	109.2320	0.000	1	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	110.3610	0.000	1	110.3610	0.000	1	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	110.0081	0.282	7	110.2682	0.455	12	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,1|N<3>,4|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	112.1580	0.000	1	110.2682	0.455	12	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	110.4225	0.407	2	110.2682	0.455	12	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,2|H<1>,4|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	109.7620	0.000	1	110.2682	0.455	12	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	110.3960	0.000	1	110.2682	0.455	12	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|Cl<1>,1|N<2>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	110.9540	0.000	1	109.8703	0.336	6	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	109.5210	0.075	3	109.8703	0.336	6	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[5a,6]N[6,6]F)	F(B[6]N[5a,6]N[6,6]F)	109.8525	0.359	2	109.8703	0.336	6	110.1016	0.430	20	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	F(B[6]N[5a,6]N[6]F)	F(B[6]N[5a,6]N[6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|C<4>,3|C<3>}	F(B[6]N[5a,6]N[6]F)	F(B[6]N[5a,6]N[6]F)	109.3020	0.000	1	108.5880	1.020	2	108.3638	0.673	12	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	F(B[6]N[5a,6]N[6]F)	F(B[6]N[5a,6]N[6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|H<1>,3|C<3>}	F(B[6]N[5a,6]N[6]F)	F(B[6]N[5a,6]N[6]F)	107.8740	0.000	1	108.5880	1.020	2	108.3638	0.673	12	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[5a,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	F(B[6]N[5a,6]N[6]F)	F(B[6]N[5a,6]N[6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	F(B[6]N[5a,6]N[6]F)	F(B[6]N[5a,6]N[6]F)	108.3190	0.834	10	108.3190	0.696	10	108.3638	0.673	12	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|O<1>,5|C<3>}	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	110.7127	0.708	3	110.6055	0.380	4	110.6055	0.380	4	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,6|C<3>}	F(B[6]N[5,6]N[6,6]F)	F(B[6]N[5,6]N[6,6]F)	110.2840	0.000	1	110.6055	0.380	4	110.6055	0.380	4	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	110.6460	0.000	1	110.6460	0.000	1	110.0084	0.643	10	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])2(F)2	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	109.6292	1.145	4	109.8488	0.913	6	110.0084	0.643	10	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])2(F)2	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	B[6](N[6,6]C[6,6]C[6])2(F)2{2|H<1>,5|C<3>}	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	110.2880	0.233	2	109.8488	0.913	6	110.0084	0.643	10	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	109.5020	0.000	1	109.5020	0.000	1	110.0084	0.643	10	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{1|N<2>,6|C<3>}	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	110.2400	0.000	1	110.4215	0.066	2	110.0084	0.643	10	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{7|C<3>}	F(B[6]N[6,6]2F)	F(B[6]N[6,6]2F)	110.6030	0.000	1	110.4215	0.066	2	110.0084	0.643	10	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2{1|H<1>,1|S<2>,5|C<3>}	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	110.2690	0.000	1	110.2690	0.000	1	109.5812	1.452	12	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	108.5870	1.500	4	108.5870	2.250	4	109.5812	1.452	12	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	110.0486	0.716	5	110.0486	0.513	5	109.5812	1.452	12	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2{1|N<2>,6|C<3>}	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	109.2830	0.000	1	109.2830	0.000	1	109.5812	1.452	12	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2{6|C<3>}	F(B[6]N[6,6]N[6]F)	F(B[6]N[6,6]N[6]F)	110.8320	0.000	1	110.8320	0.000	1	109.5812	1.452	12	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6]C)2(F)2	F(B[6]N[6]2F)	F(B[6]N[6]2F)	B[6](N[6]C[6]C)2(F)2{1|C<3>,2|C<4>}	F(B[6]N[6]2F)	F(B[6]N[6]2F)	106.9180	0.000	1	106.9180	0.000	1	110.4055	3.319	28	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6]H)2(F)2	F(B[6]N[6]2F)	F(B[6]N[6]2F)	B[6](N[6]C[6]H)2(F)2{1|N<2>,2|C<3>}	F(B[6]N[6]2F)	F(B[6]N[6]2F)	108.2880	0.000	1	109.7200	1.541	3	110.4055	3.319	28	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6]H)2(F)2	F(B[6]N[6]2F)	F(B[6]N[6]2F)	B[6](N[6]C[6]H)2(F)2{1|N<3>,2|C<3>}	F(B[6]N[6]2F)	F(B[6]N[6]2F)	110.4360	0.074	2	109.7200	1.541	3	110.4055	3.319	28	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])2(F)2	F(B[6]N[6]2F)	F(B[6]N[6]2F)	B[6](N[6]C[6a]C[6])2(F)2{1|C<4>,6|C<3>}	F(B[6]N[6]2F)	F(B[6]N[6]2F)	108.9420	0.000	1	108.8017	0.331	9	110.4055	3.319	28	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])2(F)2	F(B[6]N[6]2F)	F(B[6]N[6]2F)	B[6](N[6]C[6a]C[6])2(F)2{2|C<4>,5|C<3>}	F(B[6]N[6]2F)	F(B[6]N[6]2F)	108.5115	0.340	2	108.8017	0.331	9	110.4055	3.319	28	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])2(F)2	F(B[6]N[6]2F)	F(B[6]N[6]2F)	B[6](N[6]C[6a]C[6])2(F)2{7|C<3>}	F(B[6]N[6]2F)	F(B[6]N[6]2F)	108.8750	0.680	6	108.8017	0.331	9	110.4055	3.319	28	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2	F(B[6]N[6]2F)	F(B[6]N[6]2F)	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2{1|O<2>,3|C<3>}	F(B[6]N[6]2F)	F(B[6]N[6]2F)	109.6330	0.313	2	109.6330	0.098	2	110.4055	3.319	28	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]N[6])2(F)2	F(B[6]N[6]2F)	F(B[6]N[6]2F)	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	F(B[6]N[6]2F)	F(B[6]N[6]2F)	112.0612	0.924	13	112.0612	0.854	13	110.4055	3.319	28	109.5739	1.245	710	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2	F(B[6]N[6,6]C[6]F)	F(B[6]N[6,6]C[6]F)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2{1|H<1>,4|C<3>}	F(B[6]N[6,6]C[6]F)	F(B[6]N[6,6]C[6]F)	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	108.9357	0.050	3	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:4:1:1:	4:	4:	N[6]-3:N[5,6]-4:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2{2|C<4>,4|C<3>,6|H<1>}	F(B[6]N[5,6]N[6]F)	F(B[6]N[5,6]N[6]F)	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	108.9357	0.050	3	109.8656	1.466	995	109.8656	1.466	995
874	830	830	0:SP3_SP-NON_SP-NON	B[6]	F	F	3:4:1:1:	4:	4:	N[6]-3:N[6]-4:F-1:F-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2	F(B[6]N[6]2F)	F(B[6]N[6]2F)	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2{2|H<1>,4|C<3>}	F(B[6]N[6]2F)	F(B[6]N[6]2F)	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	108.9357	0.050	3	109.8656	1.466	995	109.8656	1.466	995
874	830	854	0:SP3_SP-NON_SP3	B[6,6]	F	N[6,6]	4:3:3:1:	4:	4:4:4:1:	N[6,6]-4:N[6]-3:N[6]-3:F-1:	B[6,6]-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F)	F(B[6,6]N[6,6]N[6]2)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F){2|C<4>,8|H<1>}	F(B[6,6]N[6,6]N[6]2)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	104.1455	0.231	2	104.1455	0.053	2	104.1455	0.053	2	104.1455	0.053	2	103.8780	0.241	3	106.0765	9.467	6
874	830	854	0:SP3_SP-NON_SP3	B[6,6]	F	N[6,6]	4:4:3:1:	4:	4:4:4:1:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	B[6,6]-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	F(B[6,6]N[6,6]N[6]2)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	F(B[6,6]N[6,6]N[6]2)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	103.3430	0.000	1	103.3430	0.000	1	103.3430	0.000	1	103.3430	0.000	1	103.8780	0.241	3	106.0765	9.467	6
874	830	854	0:SP3_SP-NON_SP3	B[6,6]	F	N[6]	4:4:3:1:	4:	4:4:4:1:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	B[6,6]-4:	B[6,6]-4:C[6]-4:P-4:H-1:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	F(B[6,6]N[6,6]N[6]2)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	F(B[6,6]N[6,6]N[6]2)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H){1|P<4>,3|C<4>,3|H<1>}	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	106.0765	9.467	6
874	830	854	0:SP3_SP-NON_SP3	B[6]	F	N[6]	3:4:1:1:	4:	4:4:4:4:	N[6]-3:N[6]-4:F-1:F-1:	B[6]-4:	C[6]-4:B[6]-4:C-4:C-4:	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2	F(B[6]N[6]2F)	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2{2|H<1>,4|C<3>}	F(B[6]N[6]2F)	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2{3|C<3>}	108.0755	4.197	2	108.0755	17.612	2	108.0755	17.612	2	108.0755	17.612	2	108.0755	17.612	2	106.0765	9.467	6
874	830	856	0:SP3_SP-NON_SP2	B[6,6]	F	N[3x6]	3:2:2:1:	4:	3:3:4:	N[3x6]-3:O[6]-2:O[6]-2:F-1:	B[6,6]-4:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F)	F(B[6,6]N[3x6]O[6]2)	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F){2|N<2>,4|C<3>}	F(B[6,6]N[3x6]O[6]2)	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F){2|H<1>,3|C<3>}	109.0080	0.849	2	109.0080	0.720	2	109.0080	0.720	2	109.0080	0.720	2	109.0080	0.720	2	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6,6]	F	N[6]	4:3:3:1:	4:	4:4:4:	N[6,6]-4:N[6]-3:N[6]-3:F-1:	B[6,6]-4:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F)	F(B[6,6]N[6,6]N[6]2)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F){2|C<4>,8|H<1>}	F(B[6,6]N[6,6]N[6]2)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	110.0700	0.243	4	110.0700	0.059	4	110.0700	0.059	4	110.0700	0.059	4	111.2728	7.278	5	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6,6]	F	N[6]	4:4:3:1:	4:	4:4:4:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	B[6,6]-4:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	F(B[6,6]N[6,6]N[6]2)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	F(B[6,6]N[6,6]N[6]2)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo){1|P<4>,3|C<4>,4|H<1>}	116.0840	0.000	1	116.0840	0.000	1	116.0840	0.000	1	116.0840	0.000	1	111.2728	7.278	5	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:C[6]-3:B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<3>,3|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF){1|B<4>,2|C<3>,2|H<1>}	106.9585	0.520	2	106.9585	0.270	2	106.9585	0.270	2	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	109.1035	0.770	4	109.1035	0.592	4	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	108.0460	1.689	2	108.0460	2.851	2	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	109.1958	1.211	6	109.1958	1.468	6	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	109.0100	0.818	4	108.6935	0.641	24	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,2|H<1>,4|C<3>}	108.4010	0.694	4	108.6935	0.641	24	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,3|C<3>,3|H<1>}	108.6358	1.449	4	108.6935	0.641	24	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){3|H<1>,4|C<3>}	108.7047	0.621	12	108.6935	0.641	24	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|N<2>,4|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	109.4560	0.682	2	109.4560	0.465	2	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	109.8718	1.386	26	109.8718	1.921	26	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	108.4630	2.088	4	110.0408	2.235	17	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,2|C<3>,2|N<2>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	110.5888	0.271	5	110.0408	2.235	17	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:3:4:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{2|N<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	110.4873	1.155	8	110.0408	2.235	17	109.4148	1.750	81	109.3556	1.854	83	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	108.2375	2.050	2	108.2375	4.202	2	108.2903	1.033	50	108.2903	1.033	50	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H){1|H<1>,3|C<3>}	109.1038	0.447	4	109.1038	0.200	4	108.2903	1.033	50	108.2903	1.033	50	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	107.5192	0.799	4	107.9960	1.172	20	108.2903	1.033	50	108.2903	1.033	50	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,3|H<1>}	107.8801	1.072	12	107.9960	1.172	20	108.2903	1.033	50	108.2903	1.033	50	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	108.2830	1.580	2	107.9960	1.172	20	108.2903	1.033	50	108.2903	1.033	50	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,4|H<1>}	109.3585	0.532	2	107.9960	1.172	20	108.2903	1.033	50	108.2903	1.033	50	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	108.2262	1.019	6	108.0931	0.914	14	108.2903	1.033	50	108.2903	1.033	50	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){2|C<3>,2|H<1>}	107.9934	0.964	8	108.0931	0.914	14	108.2903	1.033	50	108.2903	1.033	50	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:1:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(F)2{1|H<1>,1|N<2>,3|C<3>}	F(B[6]N[6,6]O[6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	108.8401	0.643	10	108.8401	0.413	10	108.2903	1.033	50	108.2903	1.033	50	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:3:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:	C[6,6,6a]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H)	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H){1|H<1>,4|C<3>}	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	108.0370	0.525	7	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:3:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|C<4>,4|C<3>}	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C){2|H<1>,3|C<3>}	109.3960	0.000	1	109.3960	0.000	1	108.1618	0.499	6	108.0370	0.525	7	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:3:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	107.5820	0.296	2	107.9507	0.214	4	108.1618	0.499	6	108.0370	0.525	7	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:3:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	108.3195	0.110	2	107.9507	0.214	4	108.1618	0.499	6	108.0370	0.525	7	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:2:3:1:	4:	3:4:3:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[6,6]O[6]C)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	107.7720	0.000	1	107.7720	0.000	1	108.1618	0.499	6	108.0370	0.525	7	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:3:4:	N[6,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5,6]N[6,6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|O<1>,5|C<3>}	F(B[6]N[5,6]N[6,6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF){2|H<1>,5|C<3>}	108.9533	0.778	6	108.9533	0.606	6	108.9533	0.606	6	109.2685	0.822	16	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:3:4:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[6,6]2F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[6,6]2F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF){2|H<1>,6|C<3>}	110.7805	0.026	2	110.7805	0.001	2	109.6490	0.830	6	109.2685	0.822	16	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:3:4:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	F(B[6]N[6,6]2F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{1|N<2>,6|C<3>}	F(B[6]N[6,6]2F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF){2|H<1>,5|C<3>}	109.0832	0.320	4	109.0832	0.102	4	109.6490	0.830	6	109.2685	0.822	16	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:3:4:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2{1|N<2>,6|C<3>}	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF){2|H<1>,5|C<3>}	109.8270	0.386	2	109.8270	0.149	2	109.1705	1.218	4	109.2685	0.822	16	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:3:4:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2{6|C<3>}	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	108.5140	1.335	2	108.5140	1.782	2	109.1705	1.218	4	109.2685	0.822	16	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:2:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2	F(B[6]N[6,6]2F)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	F(B[6]N[6,6]2F)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6]){1|N<3>,4|C<3>}	110.6515	2.024	2	110.6515	4.098	2	110.6515	4.098	2	110.6515	4.098	2	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	108.1844	0.756	10	108.1844	0.572	10	108.1844	0.572	10	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[6,6]C[6,6]C[6])(F)2{1|C<4>,6|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C){2|H<1>,4|C<3>}	108.4170	0.885	2	108.4170	0.784	2	108.3965	1.749	12	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	106.8110	1.188	2	106.8110	1.411	2	108.3965	1.749	12	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|Cl<1>,1|N<2>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl){2|H<1>,3|C<3>}	109.4320	2.307	2	109.4320	5.320	2	108.3965	1.749	12	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	108.4797	0.620	4	108.5730	0.874	6	108.3965	1.749	12	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	108.7595	1.764	2	108.5730	0.874	6	108.3965	1.749	12	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	107.4226	0.437	14	107.4650	0.602	23	107.4650	0.602	23	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,1|N<3>,4|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	107.5910	1.307	2	107.4650	0.602	23	107.4650	0.602	23	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	106.9600	0.966	4	107.4650	0.602	23	107.4650	0.602	23	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,2|H<1>,4|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	107.3000	0.000	1	107.4650	0.602	23	107.4650	0.602	23	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	N[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	108.7285	1.397	2	107.4650	0.602	23	107.4650	0.602	23	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[5,6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:B[6]-4:C[6,6]-3:	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	F(B[6]N[5,6]N[6,6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,6|C<3>}	F(B[6]N[5,6]N[6,6]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	107.9980	0.250	2	107.9980	0.063	2	107.9980	0.063	2	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2	F(B[6]N[6,6]2F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	F(B[6]N[6,6]2F)	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	109.4550	1.952	2	109.4550	3.809	2	109.4550	3.809	2	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:B[6]-4:C[6,6]-3:	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	F(B[6]N[6,6]2F)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{7|C<3>}	F(B[6]N[6,6]2F)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	108.4753	0.394	4	108.4753	0.155	4	108.4753	0.155	4	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2{1|H<1>,1|S<2>,5|C<3>}	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	107.4215	1.341	2	107.4215	1.799	2	107.8144	0.615	20	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	107.9683	1.013	6	107.7244	1.068	8	107.8144	0.615	20	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	106.9925	0.961	2	107.7244	1.068	8	107.8144	0.615	20	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	108.0443	0.289	4	107.9650	0.201	10	107.8144	0.615	20	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.3115	0.589	2	107.9650	0.201	10	107.8144	0.615	20	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	F(B[6]N[6,6]N[6]F)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	108.2125	0.173	4	107.9650	0.201	10	107.8144	0.615	20	107.9369	0.945	73	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	107.4501	0.888	8	107.2718	0.657	14	108.0763	2.643	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	106.6260	0.979	2	107.2718	0.657	14	108.0763	2.643	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	107.2380	0.570	4	107.2718	0.657	14	108.0763	2.643	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	108.5680	0.660	8	108.5680	0.435	8	108.0763	2.643	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|N<3>,1|S<2>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N){1|C<2>,1|H<1>,3|C<3>}	109.8075	5.423	2	109.8075	29.407	2	108.0763	2.643	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|O<2>,1|S<2>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O){1|C<2>,1|H<1>,3|C<3>}	110.0100	0.775	2	110.0100	0.601	2	108.0763	2.643	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[5a,6]N[6,6]F)	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[5a,6]N[6,6]F)	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	107.9760	0.984	4	107.9760	0.968	4	107.9760	0.968	4	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])2(F)2	F(B[6]N[6,6]2F)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	F(B[6]N[6,6]2F)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	109.1824	0.689	8	109.4396	0.611	16	109.3674	0.803	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])2(F)2	F(B[6]N[6,6]2F)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2{2|H<1>,5|C<3>}	F(B[6]N[6,6]2F)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	109.6967	0.827	8	109.4396	0.611	16	109.3674	0.803	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])2(F)2	F(B[6]N[6,6]2F)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	F(B[6]N[6,6]2F)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	109.7262	0.484	8	109.7262	0.234	8	109.3674	0.803	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:1:1:	4:	4:3:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2	F(B[6]N[6,6]2F)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[6,6]2F)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	107.3545	0.244	2	107.3545	0.060	2	109.3674	0.803	26	108.6686	2.051	56	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:3:3:1:	4:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:F-1:	B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(F)	F(B[6]C[6,6a]N[6,6]C[6a])	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(F){1|N<3>,4|H<1>,6|C<3>}	F(B[6]C[6,6a]N[6,6]C[6a])	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,5|C<3>}	105.1610	0.000	1	105.1610	0.000	1	105.1610	0.000	1	105.1610	0.000	1	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6,6]	3:4:1:1:	4:	3:4:3:	N[6,6]-3:C[6]-4:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2	F(B[6]N[6,6]C[6]F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2{1|H<1>,4|C<3>}	F(B[6]N[6,6]C[6]F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	105.6370	0.536	2	105.6370	0.287	2	105.6370	0.287	2	105.6370	0.287	2	108.6143	1.851	290	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	2:3:1:1:	4:	3:4:2:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:N-2:	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2{1|H<1>,2|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	108.4153	2.209	4	108.4153	4.880	4	108.4153	4.880	4	108.4153	4.880	4	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	2:3:1:1:	4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3)	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2{1|C<3>,3|C<4>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3){1|H<1>,2|C<4>}	106.1317	1.327	6	106.1317	1.761	6	107.7613	2.345	30	107.7566	2.304	34	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	2:3:1:1:	4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	108.1958	1.377	16	108.1958	1.897	16	107.7613	2.345	30	107.7566	2.304	34	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	2:3:1:1:	4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH){2|C<3>}	107.8612	1.808	4	107.8612	3.268	4	107.7613	2.345	30	107.7566	2.304	34	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	2:3:1:1:	4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH){2|C<3>}	108.4440	0.296	2	108.4440	0.087	2	107.7613	2.345	30	107.7566	2.304	34	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	2:3:1:1:	4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3){2|C<3>}	108.2915	0.589	2	108.2915	0.347	2	107.7613	2.345	30	107.7566	2.304	34	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	2:3:1:1:	4:	3:4:4:	O[6]-2:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C[6]-4:	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H)	B[6](O[6]C[6,6a])(N[6]C[6]2)(F)2{2|C<3>,2|C<4>,2|H<1>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	107.7220	1.637	4	107.7220	2.679	4	107.7220	2.679	4	107.7566	2.304	34	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:1:1:	4:	3:2:4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6a]-3:N[6]-2:B[6]-4:	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF)	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2{4|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF){2|H<1>,4|C<3>}	109.1925	2.238	2	109.1925	5.009	2	109.1925	5.009	2	109.1925	5.009	2	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:1:1:	4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|N<3>,4|C<3>}	108.5331	0.757	8	108.6055	1.029	40	108.6055	1.029	40	108.6711	0.979	46	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:1:1:	4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|S<2>,4|C<3>}	108.7810	0.871	2	108.6055	1.029	40	108.6055	1.029	40	108.6711	0.979	46	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:1:1:	4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	108.6131	1.102	30	108.6055	1.029	40	108.6055	1.029	40	108.6711	0.979	46	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:1:1:	4:	3:3:4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6a]-3:C[6]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF){1|H<1>,5|C<3>}	109.1082	0.725	6	109.1082	0.526	6	109.1082	0.526	6	108.6711	0.979	46	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:1:1:	4:	3:4:3:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	109.5765	0.303	2	109.6847	0.857	4	109.6722	0.573	6	109.6722	0.573	6	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:1:1:	4:	3:4:3:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	109.7930	1.560	2	109.6847	0.857	4	109.6722	0.573	6	109.6722	0.573	6	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:1:1:	4:	3:4:3:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S)	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	F(B[6]N[6]O[6]F)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S){3|C<3>,3|H<1>}	109.6470	0.537	2	109.6470	0.289	2	109.6722	0.573	6	109.6722	0.573	6	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:1:1:	4:	3:4:4:	N[6]-3:O[6]-2:F-1:F-1:	B[6]-4:	C[6]-3:C[5]-4:B[6]-4:	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(C[5]C[5]2Fe)(B[6]O[6]FF)	B[6](N[6]C[5]C[6])(O[6]C[6,6a])(F)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	F(B[6]N[6]O[6]F)	N[6](C[6]C[6,6a]H)(C[5]C[5]2Fe)(B[6]O[6]FF){2|C<3>,2|C<4>,2|H<1>}	107.9785	2.170	2	107.9785	4.709	2	107.9785	4.709	2	107.9785	4.709	2	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:2:3:1:	4:	3:3:4:	N[6]-3:O[6]-2:C-3:F-1:	B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	F(B[6]N[6]O[6]C)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	F(B[6]N[6]O[6]C)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF){2|H<1>,4|C<3>}	106.2870	0.000	1	106.2870	0.000	1	106.2870	0.000	1	106.2870	0.000	1	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:3:4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])2(F)2	F(B[6]N[6]2F)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	B[6](N[6]C[6a]C[6])2(F)2{1|C<4>,6|C<3>}	F(B[6]N[6]2F)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	110.0340	1.392	2	109.6463	0.939	26	109.6463	0.939	26	109.6463	0.939	26	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:3:4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])2(F)2	F(B[6]N[6]2F)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	B[6](N[6]C[6a]C[6])2(F)2{7|C<3>}	F(B[6]N[6]2F)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	109.6140	0.960	24	109.6463	0.939	26	109.6463	0.939	26	109.6463	0.939	26	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:1:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6]-3:B[6]-4:H-1:	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2	F(B[6]N[6]2F)	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2{1|O<2>,3|C<3>}	F(B[6]N[6]2F)	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H){1|B<4>,1|N<2>,2|C<3>}	110.9518	1.529	4	110.9518	2.337	4	110.9518	2.337	4	110.6930	0.806	16	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:1:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:H-1:	B[6](N[6]C[6]H)2(F)2	F(B[6]N[6]2F)	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6]H)2(F)2{1|N<3>,2|C<3>}	F(B[6]N[6]2F)	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	110.4437	0.933	4	110.4229	0.504	8	110.6067	0.429	12	110.6930	0.806	16	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:1:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:H-1:	B[6](N[6]C[6]H)2(F)2	F(B[6]N[6]2F)	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6]H)2(F)2{1|N<3>,2|C<3>}	F(B[6]N[6]2F)	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	110.4020	0.552	4	110.4229	0.504	8	110.6067	0.429	12	110.6930	0.806	16	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:1:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:H-1:	B[6](N[6]C[6]H)2(F)2	F(B[6]N[6]2F)	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6]H)2(F)2{1|N<2>,2|C<3>}	F(B[6]N[6]2F)	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H){1|H<1>,1|N<2>,2|C<3>}	110.9745	0.356	4	110.9745	0.126	4	110.6067	0.429	12	110.6930	0.806	16	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:2:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2	F(B[6]N[5,6]N[6]F)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6])	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2{1|S<2>,5|C<3>}	F(B[6]N[5,6]N[6]F)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6]){1|C<2>,1|H<1>,5|C<3>}	110.8075	1.619	2	110.8075	2.620	2	110.8075	2.620	2	110.3128	1.434	56	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:2:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2	F(B[6]N[6]2F)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6])	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2{1|O<2>,3|C<3>}	F(B[6]N[6]2F)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6]){2|H<1>,5|C<3>}	109.5948	0.467	4	109.5948	0.218	4	110.2945	1.429	54	110.3128	1.434	56	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:2:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[6]C[6a]N[6])2(F)2	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	109.7722	1.241	8	110.3504	1.490	50	110.2945	1.429	54	110.3128	1.434	56	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:2:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[6]C[6a]N[6])2(F)2	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|O<2>,3|C<3>}	110.2322	1.776	4	110.3504	1.490	50	110.2945	1.429	54	110.3128	1.434	56	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:2:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[6]C[6a]N[6])2(F)2	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	110.4846	1.155	38	110.3504	1.490	50	110.2945	1.429	54	110.3128	1.434	56	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,3|C<4>,4|C<3>}	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	112.1848	0.291	4	112.1848	0.085	4	112.5271	0.206	14	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	112.7632	0.322	6	112.6640	0.196	10	112.5271	0.206	14	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Br<1>,1|H<1>,6|C<3>}	112.2800	0.907	2	112.6640	0.196	10	112.5271	0.206	14	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,6|C<3>}	112.7505	0.243	2	112.6640	0.196	10	112.5271	0.206	14	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	F(B[6]N[5,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	F(B[6]N[5,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	111.1850	0.869	4	110.8144	0.521	16	110.8144	0.521	16	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	F(B[6]N[5,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	F(B[6]N[5,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	110.7512	0.767	4	110.8144	0.521	16	110.8144	0.521	16	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	F(B[6]N[5,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	F(B[6]N[5,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	110.6606	0.658	8	110.8144	0.521	16	110.8144	0.521	16	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	F(B[6]N[5a,6]N[6]F)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	F(B[6]N[5a,6]N[6]F)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	109.5205	1.438	2	109.6598	0.560	19	109.6598	0.560	19	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	F(B[6]N[5a,6]N[6]F)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	F(B[6]N[5a,6]N[6]F)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	109.6590	0.731	13	109.6598	0.560	19	109.6598	0.560	19	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	F(B[6]N[5a,6]N[6]F)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	F(B[6]N[5a,6]N[6]F)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	109.7322	0.715	4	109.6598	0.560	19	109.6598	0.560	19	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2	F(B[6]N[6,6]N[6]F)	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2)	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2{1|H<1>,1|S<2>,5|C<3>}	F(B[6]N[6,6]N[6]F)	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	111.7300	0.093	2	111.7300	0.009	2	111.7300	0.009	2	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[6,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	111.5235	0.383	6	111.6819	0.489	8	111.2665	1.210	10	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	F(B[6]N[6,6]N[6]F)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	112.1570	1.444	2	111.6819	0.489	8	111.2665	1.210	10	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2{1|N<2>,6|C<3>}	F(B[6]N[6,6]N[6]F)	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,6|C<3>}	109.6050	0.754	2	109.6050	0.568	2	111.2665	1.210	10	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(F)2	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(F)2{1|C<4>,6|C<3>}	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){3|H<1>,4|C<3>}	109.4850	0.754	2	109.6232	0.224	10	109.6232	0.224	10	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(F)2	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(F)2{2|C<4>,5|C<3>}	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	109.3543	0.165	4	109.6232	0.224	10	109.6232	0.224	10	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	3:4:3:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(F)2	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(F)2{2|C<4>,5|C<3>}	F(B[6]N[6]2F)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	109.9613	0.441	4	109.6232	0.224	10	109.6232	0.224	10	110.7648	1.680	71	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	4:2:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:N[6]-2:C-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	F(B[6]N[5a,6]N[6]F)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|C<4>,3|C<3>}	F(B[6]N[5a,6]N[6]F)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	108.0625	0.408	2	108.1428	0.175	4	108.1428	0.175	4	108.1428	0.175	4	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	4:2:3:	N[5a,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:N[6]-2:C-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	F(B[6]N[5a,6]N[6]F)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|H<1>,3|C<3>}	F(B[6]N[5a,6]N[6]F)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	108.2230	0.577	2	108.1428	0.175	4	108.1428	0.175	4	108.1428	0.175	4	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|C<4>,4|C<3>}	111.7520	0.569	2	111.6719	0.750	10	111.3631	1.199	12	111.3631	1.199	12	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	111.0660	0.151	2	111.6719	0.750	10	111.3631	1.199	12	111.3631	1.199	12	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	112.1500	0.344	2	111.6719	0.750	10	111.3631	1.199	12	111.3631	1.199	12	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,5|C<3>}	111.6958	1.301	4	111.6719	0.750	10	111.3631	1.199	12	111.3631	1.199	12	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2{6|C<3>}	F(B[6]N[6,6]N[6]F)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	109.8190	0.850	2	109.8190	0.722	2	111.3631	1.199	12	111.3631	1.199	12	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	4:3:4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](N[6]C[6]C)2(F)2	F(B[6]N[6]2F)	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH)	B[6](N[6]C[6]C)2(F)2{1|C<3>,2|C<4>}	F(B[6]N[6]2F)	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	110.6240	0.092	2	110.6240	0.008	2	109.8537	1.564	4	109.8537	1.564	4	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:1:1:	4:	4:3:4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](N[6]C[6]C)2(F)2	F(B[6]N[6]2F)	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3)	B[6](N[6]C[6]C)2(F)2{1|C<3>,2|C<4>}	F(B[6]N[6]2F)	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	109.0835	1.520	2	109.0835	2.309	2	109.8537	1.564	4	109.8537	1.564	4	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:2:1:	4:	3:4:3:	N[6]-3:N[6]-3:O-2:F-1:	B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(OC)(F)	F(B[6]N[6]2O)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(OC)(F){2|C<4>,5|C<3>}	F(B[6]N[6]2O)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	108.5680	0.346	2	108.5680	0.120	2	108.0190	0.761	4	108.0190	0.761	4	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:2:1:	4:	3:4:3:	N[6]-3:N[6]-3:O-2:F-1:	B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(OC[6a])(F)	F(B[6]N[6]2O)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(OC[6a])(F){2|C<4>,5|C<3>}	F(B[6]N[6]2O)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	107.4700	0.979	2	107.4700	0.958	2	108.0190	0.761	4	108.0190	0.761	4	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:3:3:1:	4:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:F-1:	B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F)	F(B[6]C[6,6a]C[6a]N[6])	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH)	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F){1|H<1>,1|N<3>,3|F<1>,4|C<3>}	F(B[6]C[6,6a]C[6a]N[6])	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH){1|C<4>,4|C<3>}	106.7645	0.364	4	106.7645	0.133	4	106.7645	0.133	4	106.7645	0.133	4	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:4:1:1:	4:	3:3:4:	N[6]-3:N[6]-4:F-1:F-1:	B[6]-4:	C[6,6a]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2	F(B[6]N[6]2F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF)	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2{2|H<1>,4|C<3>}	F(B[6]N[6]2F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF){1|H<1>,4|C<3>,5|C<4>}	111.6365	2.746	2	111.6365	7.539	2	111.6365	7.539	2	111.6365	7.539	2	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	3:4:1:1:	4:	3:4:3:	N[6]-3:N[5,6]-4:F-1:F-1:	B[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2{2|C<4>,4|C<3>,6|H<1>}	F(B[6]N[5,6]N[6]F)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,4|C<3>,5|C<4>}	112.9815	1.388	2	112.9815	1.927	2	112.9815	1.927	2	112.9815	1.927	2	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	4:2:3:1:	4:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	F(B[6]C[6,6]N[6]O[6])	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	F(B[6]C[6,6]N[6]O[6])	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	102.6790	0.000	1	102.6790	0.000	1	102.8545	0.062	2	102.8545	0.062	2	109.6680	3.166	298	109.1657	2.846	595
874	830	856	0:SP3_SP-NON_SP2	B[6]	F	N[6]	4:2:3:1:	4:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	B[6]-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	F(B[6]C[6,6]N[6]O[6])	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	F(B[6]C[6,6]N[6]O[6])	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	103.0300	0.000	1	103.0300	0.000	1	102.8545	0.062	2	102.8545	0.062	2	109.6680	3.166	298	109.1657	2.846	595
874	830	893	0:SP3_SP-NON_SP2	B[6]	F	O	3:3:2:1:	4:	3:4:	N[6]-3:N[6]-3:O-2:F-1:	B[6]-4:	C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])2(OC[6a])(F)	F(B[6]N[6]2O)	O(C[6a]C[6a]2)(B[6]N[6]2F)	B[6](N[6]C[6a]C[6])2(OC[6a])(F){2|C<4>,5|C<3>}	F(B[6]N[6]2O)	O(C[6a]C[6a]2)(B[6]N[6]2F)	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	108.5880	25.630	4	108.5880	25.630	4
874	830	893	0:SP3_SP-NON_SP2	B[6]	F	O	3:3:2:1:	4:	4:3:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	B[6]-4:	B[6]-4:C-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F)	F(B[6]N[5a,6]2O)	O(B[6]N[5a,6]2F)(CCO)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F){2|C<4>,5|C<3>}	F(B[6]N[5a,6]2O)	O(B[6]N[5a,6]2F)(CCO)	104.2095	0.381	2	104.2095	0.145	2	104.2095	0.145	2	107.0703	24.626	3	108.5880	25.630	4	108.5880	25.630	4
874	830	893	0:SP3_SP-NON_SP2	B[6]	F	O	3:3:2:1:	4:	4:3:	N[6]-3:N[6]-3:O-2:F-1:	B[6]-4:	B[6]-4:C-3:	B[6](N[6]C[6a]C[6])2(OC)(F)	F(B[6]N[6]2O)	O(B[6]N[6]2F)(CC[6a]O)	B[6](N[6]C[6a]C[6])2(OC)(F){2|C<4>,5|C<3>}	F(B[6]N[6]2O)	O(B[6]N[6]2F)(CC[6a]O)	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	107.0703	24.626	3	108.5880	25.630	4	108.5880	25.630	4
874	830	893	0:SP3_SP-NON_SP3	B[6]	F	O	3:3:2:1:	4:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	B[6]-4:	B[6]-4:S-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F)	F(B[6]N[5a,6]2O)	O(B[6]N[5a,6]2F)(SCOO)	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F){2|C<4>,5|C<3>}	F(B[6]N[5a,6]2O)	O(B[6]N[5a,6]2F)(SCOO)	102.1980	0.000	1	102.1980	0.000	1	102.1980	0.000	1	102.1980	0.000	1	102.1980	0.000	1	102.1980	0.000	1
874	830	930	0:SP3_SP-NON_SP2	B[6]	F	C	2:2:3:1:	4:	3:4:1:	O[6]-2:O[6]-2:C-3:F-1:	B[6]-4:	C[6a]-3:B[6]-4:O-1:	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F)	F(B[6]O[6]2C)	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F){3|C<3>}	F(B[6]O[6]2C)	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	115.6850	0.000	1	115.6850	0.000	1	115.6850	0.000	1	115.6850	0.000	1	113.6969	3.557	9	113.6969	3.557	9
874	830	930	0:SP3_SP-NON_SP2	B[6]	F	C	3:2:3:1:	4:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	F(B[6]N[6,6]O[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	114.1610	0.000	1	114.1610	0.000	1	113.0317	2.381	7	113.4484	3.429	8	113.6969	3.557	9	113.6969	3.557	9
874	830	930	0:SP3_SP-NON_SP2	B[6]	F	C	3:2:3:1:	4:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	F(B[6]N[6,6]O[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|C<4>,4|C<3>}	F(B[6]N[6,6]O[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	115.5550	0.000	1	113.1266	2.598	5	113.0317	2.381	7	113.4484	3.429	8	113.6969	3.557	9	113.6969	3.557	9
874	830	930	0:SP3_SP-NON_SP2	B[6]	F	C	3:2:3:1:	4:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	F(B[6]N[6,6]O[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	F(B[6]N[6,6]O[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	112.5195	1.003	4	113.1266	2.598	5	113.0317	2.381	7	113.4484	3.429	8	113.6969	3.557	9	113.6969	3.557	9
874	830	930	0:SP3_SP-NON_SP2	B[6]	F	C	3:2:3:1:	4:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	F(B[6]N[6,6]O[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F){1|C<4>,1|H<1>,3|C<3>}	F(B[6]N[6,6]O[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	111.4280	0.000	1	111.4280	0.000	1	113.0317	2.381	7	113.4484	3.429	8	113.6969	3.557	9	113.6969	3.557	9
874	830	930	0:SP3_SP-NON_SP2	B[6]	F	C	3:2:3:1:	4:	4:3:1:	N[6]-3:O[6]-2:C-3:F-1:	B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	F(B[6]N[6]O[6]C)	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	F(B[6]N[6]O[6]C)	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	116.3650	0.000	1	116.3650	0.000	1	116.3650	0.000	1	113.4484	3.429	8	113.6969	3.557	9	113.6969	3.557	9
874	830	983	0:SP3_SP-NON_SP1	B[6]	F	C	3:3:2:1:	4:	4:1:	N[5a,6]-3:N[5a,6]-3:C-2:F-1:	B[6]-4:	B[6]-4:N-1:	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F)	F(B[6]N[5a,6]2C)	C(B[6]N[5a,6]2F)(N)	B[6](N[5a,6]C[5a,6]C[5a])2(CN)(F){1|N<2>,6|C<3>}	F(B[6]N[5a,6]2C)	C(B[6]N[5a,6]2F)(N)	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1
874	830	999	0:SP3_SP-NON_SP3	B[6]	F	N[5,6]	3:4:1:1:	4:	4:4:4:4:	N[6]-3:N[5,6]-4:F-1:F-1:	B[6]-4:	C[6]-4:B[6]-4:C[5]-4:C[5]-4:	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2	F(B[6]N[5,6]N[6]F)	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2{2|C<4>,4|C<3>,6|H<1>}	F(B[6]N[5,6]N[6]F)	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	106.5880	1.311	2	106.5880	1.719	2	106.5880	1.719	2	106.5880	1.719	2	106.5880	1.719	2	106.5880	1.719	2
874	849	849	6:SP3_SP3_SP3	B[6]	P[6]	P[6]	4:4:1:1:	3:3:3:4:	3:3:3:4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:C[6a]-3:C[6a]-3:B[6]-4:	B[6](P[6]C[6,6a]C[6a]2)2(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH)	B[6](P[6]C[6,6a]C[6a]2)2(H)2{11|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH){5|H<1>,9|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH){5|H<1>,9|C<3>}	104.1410	0.000	1	104.1410	0.000	1	104.1410	0.000	1	104.1410	0.000	1	108.7531	5.647	8	108.7531	5.647	8
874	849	849	6:SP3_SP3_SP3	B[6]	P[6]	P[6]	4:4:1:1:	3:3:4:4:	3:3:4:4:	P[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	B[6](P[6]C[6a]2C[6])2(H)2	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH)	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH)	B[6](P[6]C[6a]2C[6])2(H)2{1|C<4>,4|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH){3|C<4>,4|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH){3|C<4>,4|H<1>,6|C<3>}	110.8235	0.558	2	110.8235	0.311	2	110.8235	0.311	2	110.8235	0.311	2	108.7531	5.647	8	108.7531	5.647	8
874	849	849	6:SP3_SP3_SP3	B[6]	P[6]	P[6]	4:4:1:1:	3:3:4:4:	3:4:4:4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:B-4:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6](P[6]C[6,6a]C[6a]B)(P[6]C[6,6a]CC)(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3)	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	B[6](P[6]C[6,6a]C[6a]B)(P[6]C[6,6a]CC)(H)2{5|C<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>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|H<1>,4|C<3>}	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.7531	5.647	8	108.7531	5.647	8
874	849	849	6:SP3_SP3_SP3	B[6]	P[6]	P[6]	4:4:1:1:	3:4:4:1:	3:4:4:4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:B-4:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6](P[6]C[6,6a]BH)(P[6]C[6,6a]CC)(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(BH3)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	B[6](P[6]C[6,6a]BH)(P[6]C[6,6a]CC)(H)2{3|C<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>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,2|H<1>,3|C<3>}	109.0825	0.046	2	109.0825	0.002	2	109.0825	0.002	2	109.0825	0.002	2	108.7531	5.647	8	108.7531	5.647	8
874	849	849	6:SP3_SP3_SP3	B[6]	P[6]	P[6]	4:4:1:1:	3:4:4:4:	3:4:4:4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:B[6]-4:B-4:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6](P[6]C[6,6a]C[5]B)(P[6]C[6,6a]CC)(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[5]C[5]2Fe)(B[6]P[6]HH)(BH3)	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	B[6](P[6]C[6,6a]C[5]B)(P[6]C[6,6a]CC)(H)2{1|Fe<10>,2|C<4>,3|C<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>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	108.7650	3.018	2	108.7650	9.108	2	108.7650	9.108	2	108.7650	9.108	2	108.7531	5.647	8	108.7531	5.647	8
874	849	874	6:SP3_SP3_SP3	B[6,6]	P[6]	B[6,6]	3:4:4:1:	4:4:4:4:	3:4:4:3:	C[6,6a]-3:B[6,6]-4:P[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:B[6,6]-4:P[6]-4:P-3:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H)	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2)	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H){4|C<3>,5|H<1>,7|C<4>}	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<3>,1|P<4>,4|C<3>,4|C<4>,8|H<1>}	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2){4|C<3>,5|H<1>,7|C<4>}	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	105.7010	4.199	2	106.2905	2.179	4
874	849	874	6:SP3_SP3_SP3	B[6,6]	P[6]	B[6,6]	3:4:4:3:	4:4:4:4:	3:4:4:1:	C[6,6a]-3:B[6,6]-4:P[6]-4:P-3:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:B[6,6]-4:P[6]-4:H-1:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2)	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H)	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2){4|C<3>,5|H<1>,7|C<4>}	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<4>,4|C<3>,4|C<4>,9|H<1>}	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H){4|C<3>,5|H<1>,7|C<4>}	104.2520	0.000	1	104.2520	0.000	1	104.2520	0.000	1	104.2520	0.000	1	105.7010	4.199	2	106.2905	2.179	4
874	849	874	6:SP3_SP3_SP3	B[6]	P[6]	B[6]	4:4:3:1:	4:4:4:4:	3:4:4:1:	B[6]-4:P[6]-4:P-3:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:B[6]-4:P-4:Br-1:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H){2|C<3>,4|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<4>,2|C<3>,4|C<4>,8|H<1>}	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br){1|H<1>,2|C<3>,3|C<4>}	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	106.8800	0.947	2	106.2905	2.179	4
874	849	874	6:SP3_SP3_SP3	B[6]	P[6]	B[6]	4:4:4:1:	4:4:4:4:	3:4:3:1:	B[6]-4:P[6]-4:P-4:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:B[6]-4:P-3:Br-1:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H){2|C<3>,4|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<3>,2|C<3>,4|C<4>,8|H<1>}	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br){1|H<1>,2|C<3>,3|C<4>}	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	106.8800	0.947	2	106.2905	2.179	4
874	849	945	0:SP3_SP3_SP3	B[6,6]	P[6]	P	3:4:4:3:	4:4:4:4:	4:3:3:	C[6,6a]-3:B[6,6]-4:P[6]-4:P-3:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2)	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	P(B[6,6]C[6,6a]B[6,6]P[6])(C[6a]C[6a]2)2	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2){4|C<3>,5|H<1>,7|C<4>}	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<4>,4|C<3>,4|C<4>,9|H<1>}	P(B[6,6]C[6,6a]B[6,6]P[6])(C[6a]C[6a]2)2	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	117.5810	93.516	2
874	849	945	0:SP3_SP3_SP3	B[6]	P[6]	P	4:4:3:1:	4:4:4:4:	4:3:3:	B[6]-4:P[6]-4:P-3:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	P(B[6]B[6]P[6]H)(C[6a]C[6a]2)2	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H){2|C<3>,4|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<4>,2|C<3>,4|C<4>,8|H<1>}	P(B[6]B[6]P[6]H)(C[6a]C[6a]2)2	124.4190	0.000	1	124.4190	0.000	1	124.4190	0.000	1	124.4190	0.000	1	124.4190	0.000	1	117.5810	93.516	2
874	849	951	0:SP3_SP-NON_SP3	B[6,6]	P[6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:B[6,6]-4:P[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	B[6,6]-4:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H)	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	H(B[6,6]C[6,6a]B[6,6]P[6])	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H){4|C<3>,5|H<1>,7|C<4>}	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<3>,1|P<4>,4|C<3>,4|C<4>,8|H<1>}	H(B[6,6]C[6,6a]B[6,6]P[6])	96.8280	0.000	1	96.8280	0.000	1	96.8280	0.000	1	96.8280	0.000	1	96.8280	0.000	1	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	3:4:3:1:	3:4:3:3:	4:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H)	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2	H(B[6]C[6,6a]C[6a]P[6])	B[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(H){10|C<3>,3|F<1>}	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	H(B[6]C[6,6a]C[6a]P[6])	103.6900	0.000	1	103.6900	0.000	1	103.6900	0.000	1	103.6900	0.000	1	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:3:3:4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:B[6]-4:	B[6]-4:	B[6](P[6]C[6,6a]C[6a]2)2(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH)	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]C[6a]2)2(H)2{11|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH){5|H<1>,9|C<3>}	H(B[6]P[6]2H)	109.2120	1.895	4	109.2120	3.591	4	109.2120	3.591	4	109.2120	3.591	4	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	B[6]-4:	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH)	H(B[6]C[6]P[6]H)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|B<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH){1|P<4>,4|C<3>,8|H<1>}	H(B[6]C[6]P[6]H)	105.2810	3.312	2	105.2810	10.970	2	107.5911	8.141	8	107.8832	16.081	18	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	B[6]-4:	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP)	H(B[6]C[6]P[6]H)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2{1|B<4>,1|H<1>,1|P<4>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP){2|P<4>,4|C<3>,7|H<1>}	H(B[6]C[6]P[6]H)	108.3612	2.521	6	108.3612	6.357	6	107.5911	8.141	8	107.8832	16.081	18	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:B-4:	B[6]-4:	B[6](P[6]C[6,6a]C[6a]B)(P[6]C[6,6a]CC)(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3)	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]C[6a]B)(P[6]C[6,6a]CC)(H)2{5|C<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(B[6]P[6]2H)	110.0035	0.030	2	110.0035	0.001	2	110.0035	0.001	2	107.8832	16.081	18	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	B[6]-4:	B[6](P[6]C[6a]2C[6])2(H)2	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH)	H(B[6]P[6]2H)	B[6](P[6]C[6a]2C[6])2(H)2{1|C<4>,4|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH){3|C<4>,4|H<1>,6|C<3>}	H(B[6]P[6]2H)	107.6451	5.428	8	107.6451	29.467	8	107.6451	29.467	8	107.8832	16.081	18	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:4:4:1:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:B-4:H-1:	B[6]-4:	B[6](P[6]C[6,6a]BH)(P[6]C[6,6a]CC)(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(BH3)(H)	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]BH)(P[6]C[6,6a]CC)(H)2{3|C<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(B[6]P[6]2H)	109.8547	0.026	4	109.8547	0.001	4	109.8547	0.001	4	109.8547	0.001	4	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:4:4:4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6]-4:	B[6](P[6]C[6,6a]BH)(P[6]C[6,6a]CC)(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]BH)(P[6]C[6,6a]CC)(H)2{3|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,2|H<1>,3|C<3>}	H(B[6]P[6]2H)	109.8768	0.028	4	109.8768	0.001	4	109.9119	0.099	10	109.9112	0.140	14	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:4:4:4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6]-4:	B[6](P[6]C[6,6a]C[5]B)(P[6]C[6,6a]CC)(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]C[5]B)(P[6]C[6,6a]CC)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	H(B[6]P[6]2H)	109.9193	0.541	4	109.9193	0.293	4	109.9119	0.099	10	109.9112	0.140	14	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:4:4:4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6]-4:	B[6](P[6]C[6,6a]C[6a]B)(P[6]C[6,6a]CC)(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]C[6a]B)(P[6]C[6,6a]CC)(H)2{5|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|H<1>,4|C<3>}	H(B[6]P[6]2H)	109.9675	0.004	2	109.9675	0.000	2	109.9119	0.099	10	109.9112	0.140	14	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:1:1:	3:4:4:4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:B[6]-4:B-4:	B[6]-4:	B[6](P[6]C[6,6a]C[5]B)(P[6]C[6,6a]CC)(H)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[5]C[5]2Fe)(B[6]P[6]HH)(BH3)	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]C[5]B)(P[6]C[6,6a]CC)(H)2{1|Fe<10>,2|C<4>,3|C<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(B[6]P[6]2H)	109.9095	0.557	4	109.9095	0.310	4	109.9095	0.310	4	109.9112	0.140	14	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:3:1:	4:4:4:4:	4:	B[6]-4:P[6]-4:P-3:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	B[6]-4:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	H(B[6]B[6]P[6]P)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H){2|C<3>,4|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<4>,2|C<3>,4|C<4>,8|H<1>}	H(B[6]B[6]P[6]P)	97.3103	0.000	1	97.3103	0.000	1	97.3103	0.000	1	97.3103	0.000	1	108.3780	12.282	43	108.1155	15.028	44
874	849	951	0:SP3_SP-NON_SP3	B[6]	P[6]	H	4:4:4:1:	4:4:4:4:	4:	B[6]-4:P[6]-4:P-4:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	B[6]-4:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	H(B[6]B[6]P[6]P)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H){2|C<3>,4|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<3>,2|C<3>,4|C<4>,8|H<1>}	H(B[6]B[6]P[6]P)	102.3310	0.000	1	102.3310	0.000	1	102.3310	0.000	1	102.3310	0.000	1	108.3780	12.282	43	108.1155	15.028	44
874	849	992	0:SP3_SP3_SP3	B[6]	P[6]	P	4:4:4:1:	4:4:4:4:	4:4:4:4:	B[6]-4:P[6]-4:P-4:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	B[6]-4:C-4:C-4:C-4:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	P(B[6]B[6]P[6]H)(CH3)3	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H){2|C<3>,4|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<3>,2|C<3>,4|C<4>,8|H<1>}	P(B[6]B[6]P[6]H)(CH3)3	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1
874	854	854	6:SP3_SP3_SP3	B[6,6]	N[6]	N[6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	B[6,6]-4:C[6]-4:P-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H){1|P<4>,3|C<4>,3|H<1>}	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	101.3860	0.000	1	101.3860	0.000	1	101.3860	0.000	1	101.3860	0.000	1	101.3860	0.000	1	109.6128	21.239	5
874	854	854	6:SP3_SP3_SP3	B[6]	N[6]	N[6]	4:4:1:1:	3:4:4:4:	3:4:4:4:	N[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6](N[6]C[6,6a]CC)2(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2	B[6](N[6]C[6,6a]CC)2(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	111.6695	0.345	4	111.6695	0.119	4	111.6695	0.119	4	111.6695	0.119	4	111.6695	0.119	4	109.6128	21.239	5
874	854	856	0:SP3_SP2_SP3	B[6,6]	N[6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	B[6,6]-4:C[6]-4:P-4:H-1:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H){1|P<4>,3|C<4>,3|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo){1|P<4>,3|C<4>,4|H<1>}	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1
874	854	856	6:SP3_SP2_SP3	B[6,6]	N[6,6]	N[6]	4:3:3:1:	4:4:4:1:	4:4:4:	N[6,6]-4:N[6]-3:N[6]-3:F-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F){2|C<4>,8|H<1>}	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	106.6603	0.400	4	106.6603	0.160	4	106.6603	0.160	4	106.6603	0.160	4	106.3011	0.619	10	106.4965	0.977	11
874	854	856	6:SP3_SP2_SP3	B[6,6]	N[6,6]	N[6]	4:3:3:2:	4:4:4:1:	4:4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	105.7900	0.330	2	105.7900	0.109	2	105.7164	0.163	5	105.7164	0.163	5	106.3011	0.619	10	106.4965	0.977	11
874	854	856	6:SP3_SP2_SP3	B[6,6]	N[6,6]	N[6]	4:3:3:2:	4:4:4:1:	4:4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd){1|P<4>,3|C<4>,3|H<1>}	105.6673	0.513	3	105.6673	0.263	3	105.7164	0.163	5	105.7164	0.163	5	106.3011	0.619	10	106.4965	0.977	11
874	854	856	6:SP3_SP2_SP3	B[6,6]	N[6,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	N[6,6]-4:N[6]-4:N[6]-3:F-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F)	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]HP)(N[6]C[6]P)(F){2|C<4>,8|H<1>}	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo){1|P<4>,3|C<4>,4|H<1>}	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	106.3011	0.619	10	106.4965	0.977	11
874	854	856	6:SP3_SP2_SP3	B[6]	N[6]	N[6]	3:4:1:1:	4:4:4:4:	3:3:4:	N[6]-3:N[6]-4:F-1:F-1:	C[6]-4:B[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF)	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2{2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF){1|H<1>,4|C<3>,5|C<4>}	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	106.4965	0.977	11
874	854	856	6:SP3_SP3_SP3	B[6,6]	N[6,6]	N[6]	4:3:3:2:	4:4:4:1:	4:4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH){2|C<4>,8|H<1>}	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	103.7110	0.430	2	103.7110	0.185	2	103.7110	0.185	2	103.7110	0.185	2	103.7110	0.185	2	103.7110	0.185	2
874	854	893	0:SP3_SP3_SP3	B[6,6]	N[6,6]	O	4:2:2:2:	4:4:4:4:	4:4:	N[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6]-4:C[6]-4:B[6,6]-4:C-4:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC)	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH)	O(B[6,6]N[6,6]O[6]2)(CH3)	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC){4|C<3>,4|H<1>}	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH){4|C<3>}	O(B[6,6]N[6,6]O[6]2)(CH3)	105.6490	0.000	1	105.6490	0.000	1	105.6490	0.000	1	105.6490	0.000	1	104.0478	16.725	7	104.2081	12.246	11
874	854	893	0:SP3_SP3_SP3	B[6,6]	N[6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	O(B[6,6]N[6,6]N[6]2)(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH){2|C<4>,8|H<1>}	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	O(B[6,6]N[6,6]N[6]2)(H)	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	104.0478	16.725	7	104.2081	12.246	11
874	854	893	0:SP3_SP3_SP3	B[6,6]	N[6,6]	O	4:3:3:2:	4:4:4:1:	4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	O(B[6,6]N[6,6]N[6]2)(CCHH)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	O(B[6,6]N[6,6]N[6]2)(CCHH)	100.0530	0.000	1	100.0530	0.000	1	100.0209	0.012	3	100.0209	0.012	3	104.0478	16.725	7	104.2081	12.246	11
874	854	893	0:SP3_SP3_SP3	B[6,6]	N[6,6]	O	4:3:3:2:	4:4:4:1:	4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	O(B[6,6]N[6,6]N[6]2)(CH3)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	O(B[6,6]N[6,6]N[6]2)(CH3)	100.0049	0.152	2	100.0049	0.023	2	100.0209	0.012	3	100.0209	0.012	3	104.0478	16.725	7	104.2081	12.246	11
874	854	893	0:SP3_SP3_SP3	B[6,6]	N[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	N[6,6]-4:C[6]-4:C[6]-4:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H)	O(B[6,6]N[6,6]C[6]2)(H)	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H){2|C<3>,6|H<1>}	O(B[6,6]N[6,6]C[6]2)(H)	106.0985	0.149	2	106.0985	0.022	2	106.0985	0.022	2	106.0985	0.022	2	104.0478	16.725	7	104.2081	12.246	11
874	854	893	0:SP3_SP3_SP3	B[6]	N[6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:N[6]-4:O-2:O-2:	B[6]-4:C[6]-4:C-4:H-1:	B[6]-4:C-4:	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	O(B[6]C[6]N[6]O)(CCHH)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	O(B[6]C[6]N[6]O)(CCHH)	104.4885	2.684	4	104.4885	7.204	4	104.4885	7.204	4	104.4885	7.204	4	104.4885	7.204	4	104.2081	12.246	11
874	854	930	0:SP3_SP2_SP3	B[6]	N[6]	C	2:4:3:3:	4:4:1:1:	4:3:3:	O[6]-2:N[6]-4:C-3:C-3:	C[6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C-3:	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2	C(B[6]N[6]O[6]C)(C[6a]C[6a]2)(CC[6a]Te)	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2{2|C<3>}	C(B[6]N[6]O[6]C)(C[6a]C[6a]2)(CC[6a]Te)	107.2620	1.621	6	107.2620	2.627	6	107.2620	2.627	6	107.2620	2.627	6	107.2620	2.627	6	107.2620	2.627	6
874	854	948	0:SP3_SP-NON_SP3	B[6]	N[6,6]	H[6]	4:3:2:1:	3:4:4:4:	4:4:	N[6,6]-4:C[6a]-3:H[6]-2:H-1:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	B[6]-4:B[6]-4:	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	107.6970	1.911	2	107.6970	3.650	2	107.6970	3.650	2	107.6970	3.650	2	107.6970	3.650	2	106.7563	4.480	3
874	854	948	0:SP3_SP-NON_SP3	B[6]	N[6]	H[6]	4:3:2:1:	3:4:4:4:	4:4:	N[6]-4:C[6a]-3:H[6]-2:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6]-4:B[6]-4:	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	104.8750	0.000	1	104.8750	0.000	1	104.8750	0.000	1	104.8750	0.000	1	104.8750	0.000	1	106.7563	4.480	3
874	854	951	0:SP3_SP-NON_SP3	B[6]	N[6,6]	H	4:3:2:1:	3:4:4:4:	4:	N[6,6]-4:C[6a]-3:H[6]-2:H-1:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	H(B[6]N[6,6]C[6a]H[6])	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	H(B[6]N[6,6]C[6a]H[6])	108.5980	0.535	2	108.5980	0.286	2	108.5980	0.286	2	108.5980	0.286	2	108.5980	0.286	2	107.2407	4.924	31
874	854	951	0:SP3_SP-NON_SP3	B[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	B[6]-4:	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	H(B[6]C[5,6]N[6]H)	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	H(B[6]C[5,6]N[6]H)	111.0000	2.977	2	111.0000	8.862	2	111.0000	8.862	2	111.0000	8.862	2	107.1471	5.125	29	107.2407	4.924	31
874	854	951	0:SP3_SP-NON_SP3	B[6]	N[6]	H	4:3:2:1:	3:4:4:4:	4:	N[6]-4:C[6a]-3:H[6]-2:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6]-4:	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	H(B[6]C[6a]H[6]N[6])	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	H(B[6]C[6a]H[6]N[6])	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	107.1471	5.125	29	107.2407	4.924	31
874	854	951	0:SP3_SP-NON_SP3	B[6]	N[6]	H	4:4:1:1:	3:4:4:4:	4:	N[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6]-4:	B[6](N[6]C[6,6a]CC)2(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2	H(B[6]N[6]2H)	B[6](N[6]C[6,6a]CC)2(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(B[6]N[6]2H)	107.1809	2.295	16	107.1809	5.265	16	107.1809	5.265	16	107.1809	5.265	16	107.1471	5.125	29	107.2407	4.924	31
874	854	951	0:SP3_SP-NON_SP3	B[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2	H(B[6]C[6]N[6]H)	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(B[6]C[6]N[6]H)	105.2670	0.495	2	105.2670	0.245	2	106.3487	2.012	4	106.3487	2.012	4	107.1471	5.125	29	107.2407	4.924	31
874	854	951	0:SP3_SP-NON_SP3	B[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2	H(B[6]C[6]N[6]H)	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|B<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2{1|N<4>,4|H<1>}	H(B[6]C[6]N[6]H)	107.4305	1.054	2	107.4305	1.112	2	106.3487	2.012	4	106.3487	2.012	4	107.1471	5.125	29	107.2407	4.924	31
874	854	951	0:SP3_SP-NON_SP3	B[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	B[6]-4:	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	H(B[6]C[6]N[6]H)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	H(B[6]C[6]N[6]H)	106.3570	3.479	2	106.3570	12.103	2	106.3570	12.103	2	106.3570	12.103	2	107.1471	5.125	29	107.2407	4.924	31
874	854	951	0:SP3_SP-NON_SP3	B[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	N[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:Si-4:Si-4:	B[6]-4:	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2	H(B[6]C[6]N[6]H)	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2{2|Si<4>,1|B<4>,2|H<1>}	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2{1|N<4>,4|H<1>}	H(B[6]C[6]N[6]H)	106.2335	0.459	4	106.2335	0.211	4	106.2335	0.211	4	106.2335	0.211	4	107.1471	5.125	29	107.2407	4.924	31
874	856	856	0:SP3_SP2_SP2	B[6,6]	N[6,6]	N[6,6]	3:3:3:2:	4:3:4:	4:3:4:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O-2:	B[6,6]-4:C[3x6]-3:C[6]-4:	B[6,6]-4:C[3x6]-3:C[6]-4:	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS)	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH)	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH)	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	111.5463	10.015	26
874	856	856	0:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	3:3:2:2:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a]-3:B[6,6]-4:C-4:	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	109.5990	0.790	15	109.5990	0.623	15	109.5990	0.623	15	109.5990	0.623	15	111.4375	10.112	25	111.5463	10.015	26
874	856	856	0:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	3:3:3:3:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a]-3:B[6,6]-4:C-4:	B[6,6](N[6]C[6,6a]C)4	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	B[6,6](N[6]C[6,6a]C)4{6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	109.7990	0.402	3	109.7990	0.162	3	109.7990	0.162	3	109.7990	0.162	3	111.4375	10.112	25	111.5463	10.015	26
874	856	856	0:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	3:3:3:3:	4:3:1:	4:3:1:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6,6]-4:C[6]-3:H-1:	B[6,6]-4:C[6]-3:H-1:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H)	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H)	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|C<4>,2|H<1>,2|N<2>,4|C<3>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	112.8220	0.000	1	112.8220	0.000	1	113.5095	0.945	2	113.5095	0.945	2	111.4375	10.112	25	111.5463	10.015	26
874	856	856	0:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	3:3:3:3:	4:3:1:	4:3:1:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6,6]-4:C[6]-3:H-1:	B[6,6]-4:C[6]-3:H-1:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H)	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H)	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|H<1>,2|N<2>,6|C<3>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	114.1970	0.000	1	114.1970	0.000	1	113.5095	0.945	2	113.5095	0.945	2	111.4375	10.112	25	111.5463	10.015	26
874	856	856	0:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	4:3:3:1:	4:4:4:	4:4:4:	N[6,6]-4:N[6]-3:N[6]-3:F-1:	B[6,6]-4:C[6]-4:P-4:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni)	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(F){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	118.1920	0.588	2	118.1920	0.346	2	118.1920	0.346	2	118.1920	0.346	2	111.4375	10.112	25	111.5463	10.015	26
874	856	856	0:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	4:3:3:2:	4:4:4:	4:4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:P-4:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	115.9140	0.000	1	115.9140	0.000	1	116.3843	0.168	3	116.3843	0.168	3	111.4375	10.112	25	111.5463	10.015	26
874	856	856	0:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	4:3:3:2:	4:4:4:	4:4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:P-4:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd){1|P<4>,3|C<4>,3|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd){1|P<4>,3|C<4>,3|H<1>}	116.6195	0.070	2	116.6195	0.005	2	116.3843	0.168	3	116.3843	0.168	3	111.4375	10.112	25	111.5463	10.015	26
874	856	856	0:SP3_SP3_SP3	B[6,6]	N[6]	N[6]	4:3:3:2:	4:4:4:	4:4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:P-4:	B[6,6]-4:C[6]-4:P-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	114.8240	0.000	1	114.8240	0.000	1	114.8240	0.000	1	114.8240	0.000	1	114.8240	0.000	1	114.8240	0.000	1
874	856	856	6:SP3_SP2_SP2	B[6,6]	N[6]	N[3x6]	3:3:3:3:	4:3:1:	4:3:3:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6,6]-4:C[6]-3:H-1:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H)	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|C<4>,2|H<1>,2|N<2>,4|C<3>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	104.4410	0.525	2	104.4410	0.275	2	104.7475	0.837	4	104.7475	0.837	4	104.7475	0.837	4	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6,6]	N[6]	N[3x6]	3:3:3:3:	4:3:1:	4:3:3:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6,6]-4:C[6]-3:H-1:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H)	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|H<1>,2|N<2>,6|C<3>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	105.0540	1.363	2	105.0540	1.859	2	104.7475	0.837	4	104.7475	0.837	4	104.7475	0.837	4	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	3:3:2:2:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a]-3:B[6,6]-4:C-4:	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	106.1860	0.000	1	106.1860	0.000	1	107.2740	2.367	2	107.2740	2.367	2	108.0950	1.688	4	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	3:3:2:2:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a]-3:B[6,6]-4:C-4:	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	108.3620	0.000	1	108.3620	0.000	1	107.2740	2.367	2	107.2740	2.367	2	108.0950	1.688	4	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6,6]	N[6]	N[6]	3:3:3:3:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a]-3:B[6,6]-4:C-4:	B[6,6](N[6]C[6,6a]C)4	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	B[6,6](N[6]C[6,6a]C)4{6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	108.9160	0.023	2	108.9160	0.001	2	108.9160	0.001	2	108.9160	0.001	2	108.0950	1.688	4	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6,6]	3:3:1:1:	3:3:4:	3:3:4:	N[6,6]-3:N[6,6]-3:F-1:F-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{1|N<2>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF){2|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF){2|H<1>,5|C<3>}	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	109.2171	3.587	10	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6,6]	3:3:1:1:	3:3:4:	4:3:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF){2|H<1>,6|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	109.2171	3.587	10	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:2:	N[6,6]-3:N[6,6]-3:F-1:F-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6]-3:B[6]-4:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6]){1|N<3>,4|C<3>}	105.7930	0.000	1	105.7930	0.000	1	105.7930	0.000	1	105.7930	0.000	1	109.2171	3.587	10	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6a]-3:B[6]-4:C[6,6]-3:	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{7|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	109.2171	3.587	10	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6,6]	3:3:1:1:	4:3:3:	4:3:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:C[6,6]-3:C[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2{2|H<1>,5|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	107.7045	0.172	2	107.7045	0.030	2	108.8055	1.140	6	108.8055	1.140	6	109.2171	3.587	10	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6,6]	3:3:1:1:	4:3:3:	4:3:3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	B[6]-4:C[6,6]-3:C[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])2(F)2	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	B[6](N[6,6]C[6,6]C[6])2(F)2{1|N<2>,2|H<1>,4|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	109.3560	0.824	4	109.3560	0.678	4	108.8055	1.140	6	108.8055	1.140	6	109.2171	3.587	10	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF)	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2{1|N<2>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	106.4540	4.525	11	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6]	3:3:1:1:	3:3:4:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2{6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	106.4540	4.525	11	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6]	3:3:1:1:	3:4:3:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|C<4>,4|C<3>}	107.6980	0.000	1	107.3222	1.523	5	107.3222	1.523	5	107.3222	1.523	5	106.4540	4.525	11	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6]	3:3:1:1:	3:4:3:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	108.4120	0.000	1	107.3222	1.523	5	107.3222	1.523	5	107.3222	1.523	5	106.4540	4.525	11	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6]	3:3:1:1:	3:4:3:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	108.4430	0.000	1	107.3222	1.523	5	107.3222	1.523	5	107.3222	1.523	5	106.4540	4.525	11	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6]	3:3:1:1:	3:4:3:	4:3:2:	N[6,6]-3:N[6]-3:F-1:F-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,5|C<3>}	106.0290	0.402	2	107.3222	1.523	5	107.3222	1.523	5	107.3222	1.523	5	106.4540	4.525	11	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6]-4:C[6]-3:H-1:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,5|H<1>,7|C<3>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H){1|H<1>,6|C<3>}	104.1480	0.000	1	104.1480	0.000	1	104.1317	0.024	3	104.1317	0.024	3	106.4540	4.525	11	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6]-4:C[6]-3:H-1:	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){5|H<1>,8|C<3>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H){1|H<1>,8|C<3>}	104.1235	0.220	2	104.1235	0.048	2	104.1317	0.024	3	104.1317	0.024	3	106.4540	4.525	11	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6,6]	N[6]	3:3:4:4:	3:4:3:	3:4:1:	N[6,6]-3:N[6]-3:C-4:C-4:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:B[6]-4:H-1:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2{1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H){1|H<1>,4|C<3>}	103.9960	0.000	1	103.9960	0.000	1	103.9960	0.000	1	103.9960	0.000	1	106.4540	4.525	11	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2)	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2{1|H<1>,1|S<2>,5|C<3>}	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	109.0054	1.094	5	108.2768	4.060	6	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	109.6603	0.761	3	109.2447	1.077	4	109.2447	1.077	4	109.0054	1.094	5	108.2768	4.060	6	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[6,6]-3:N[6]-3:F-1:F-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	107.9980	0.000	1	109.2447	1.077	4	109.2447	1.077	4	109.0054	1.094	5	108.2768	4.060	6	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,8|C<3>}	104.6340	0.000	1	104.6340	0.000	1	104.6340	0.000	1	104.6340	0.000	1	108.2768	4.060	6	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:N[6]-3:F-1:F-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	B[6](N[6]C[6a]C[6])2(F)2{7|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	109.4733	0.533	6	109.4733	0.284	6	109.4733	0.284	6	109.4733	0.284	6	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[6]-3:N[6]-3:F-1:F-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(F)2{1|C<4>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){3|H<1>,4|C<3>}	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:F-1:F-1:	C[6]-3:B[6]-4:H-1:	C[6]-3:B[6]-4:H-1:	B[6](N[6]C[6]H)2(F)2	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6]H)2(F)2{1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	104.4080	0.000	1	104.5605	0.047	2	104.5933	0.026	3	104.5933	0.026	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:F-1:F-1:	C[6]-3:B[6]-4:H-1:	C[6]-3:B[6]-4:H-1:	B[6](N[6]C[6]H)2(F)2	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6]H)2(F)2{1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	104.7130	0.000	1	104.5605	0.047	2	104.5933	0.026	3	104.5933	0.026	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:F-1:F-1:	C[6]-3:B[6]-4:H-1:	C[6]-3:B[6]-4:H-1:	B[6](N[6]C[6]H)2(F)2	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H)	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6]H)2(F)2{1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H){1|H<1>,1|N<2>,2|C<3>}	104.6590	0.000	1	104.6590	0.000	1	104.5933	0.026	3	104.5933	0.026	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:2:	3:4:1:	N[6]-3:N[6]-3:F-1:F-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6,6]-3:B[6]-4:H-1:	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6])	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2{1|O<2>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6]){2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H){1|B<4>,1|N<2>,2|C<3>}	106.0450	0.533	2	106.0450	0.284	2	106.0450	0.284	2	106.0450	0.284	2	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:2:	3:4:2:	N[6]-3:N[6]-3:F-1:F-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[6]C[6a]N[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	106.4340	0.195	2	102.9550	4.270	13	102.9550	4.270	13	102.7082	4.795	14	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:2:	3:4:2:	N[6]-3:N[6]-3:F-1:F-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[6]C[6a]N[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|O<2>,3|C<3>}	100.1430	0.000	1	102.9550	4.270	13	102.9550	4.270	13	102.7082	4.795	14	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:2:	3:4:2:	N[6]-3:N[6]-3:F-1:F-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[6]C[6a]N[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	102.5404	1.389	10	102.9550	4.270	13	102.9550	4.270	13	102.7082	4.795	14	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:2:	3:4:2:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[6]C[6a]N[6])2(H)2	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6])	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(H)2{5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	99.4999	0.000	1	99.4999	0.000	1	99.4999	0.000	1	102.7082	4.795	14	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:F-1:F-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(F)2{2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	110.6420	0.000	1	109.6785	1.857	2	109.6785	1.857	2	109.1463	1.778	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:F-1:F-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(F)2{2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	108.7150	0.000	1	109.6785	1.857	2	109.6785	1.857	2	109.1463	1.778	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:I-1:I-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(I)2	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C)	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	109.1463	1.778	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:Br-1:Br-1:	B[6]-4:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])2(Br)2	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(Br)2{2|C<4>,5|C<3>}	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	109.9917	0.083	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	B[6]-4:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])2(Cl)2	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	109.7840	0.000	1	109.8275	0.004	2	109.8275	0.004	2	109.9917	0.083	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	B[6]-4:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])2(Cl)2	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	109.8710	0.000	1	109.8275	0.004	2	109.8275	0.004	2	109.9917	0.083	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:3:4:	N[6]-3:N[6]-3:F-1:F-1:	B[6]-4:C[6]-3:C-4:	B[6]-4:C[6]-3:C-4:	B[6](N[6]C[6]C)2(F)2	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH)	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3)	B[6](N[6]C[6]C)2(F)2{1|C<3>,2|C<4>}	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	110.5045	0.015	2	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	P[6]-4:C[6a]-3:B[6]-4:	P[6]-4:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]P[6])2(H)2	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH)	B[6](N[6]C[6a]P[6])2(H)2{9|C<3>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH){1|Cl<1>,1|P<4>,2|C<4>,7|C<3>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH){1|Cl<1>,1|P<4>,2|C<4>,7|C<3>}	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	110.5045	0.015	2	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:2:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:O-2:F-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(OC)(F)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(OC)(F){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	109.4800	0.000	1	109.4800	0.000	1	109.6970	0.094	2	109.6970	0.094	2	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:2:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:O-2:F-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a]-3:B[6]-4:C[6]-3:	B[6](N[6]C[6a]C[6])2(OC[6a])(F)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(OC[6a])(F){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	109.9140	0.000	1	109.9140	0.000	1	109.6970	0.094	2	109.6970	0.094	2	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:2:2:	3:4:2:	3:4:2:	N[6]-3:N[6]-3:O-2:O-2:	C[6a]-3:B[6]-4:N[6]-2:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[6]C[6a]N[6])2(OC)2	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6])	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(OC)2{5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	105.6903	0.162	3	105.6903	0.026	3	105.6903	0.026	3	105.6903	0.026	3	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:3:3:	4:3:2:	4:3:1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:N[6]-2:	B[6]-4:C[6]-3:H-1:	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H)	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,4|H<1>,7|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,8|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H){1|N<2>,6|C<3>}	101.3460	0.301	2	101.3460	0.091	2	101.3460	0.091	2	101.3460	0.091	2	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H)	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<2>,4|H<1>,8|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H){8|C<3>}	101.0030	0.000	1	101.0030	0.000	1	101.0030	0.000	1	101.0030	0.000	1	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|C<4>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	100.7600	0.000	1	100.9243	0.063	3	100.9243	0.063	3	101.0325	0.089	4	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	101.0065	0.293	2	100.9243	0.063	3	100.9243	0.063	3	101.0325	0.089	4	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6]-4:C[6a]-3:C[6]-3:	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,9|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,9|C<3>}	101.3570	0.000	1	101.3570	0.000	1	101.3570	0.000	1	101.0325	0.089	4	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:3:3:	4:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	B[6]-4:C[6]-3:C-4:	B[6]-4:C[6]-3:C-4:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>,4|F<1>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){2|C<4>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH){2|C<4>,5|C<3>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:3:3:	4:4:3:	4:3:1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:P[6]-4:C[6a]-3:	B[6]-4:C[6]-3:H-1:	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H)	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<3>,4|F<1>,9|C<3>}	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){11|C<3>,1|P<3>,3|H<1>}	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H){1|P<3>,1|P<4>,5|C<3>}	107.9980	0.000	1	107.9980	0.000	1	107.9980	0.000	1	107.9980	0.000	1	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:3:3:	4:4:3:	4:4:3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:P[6]-4:C[6a]-3:	B[6]-4:P[6]-4:C[6a]-3:	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2{13|C<3>,4|F<1>}	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){12|C<3>,1|P<4>,2|H<1>}	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){12|C<3>,1|P<4>,2|H<1>}	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	105.7239	13.885	49	106.4842	11.044	84
874	856	856	6:SP3_SP2_SP3	B[6]	N[6]	N[6]	3:3:3:3:	4:3:3:	4:3:2:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2{1|C<4>,4|H<1>,9|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|N<2>,2|H<1>,8|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,8|C<3>}	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1
874	856	893	0:SP3_SP2_SP2	B[6]	N[6,6]	O	3:3:2:2:	3:4:3:	4:3:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:C-3:	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O)	O(B[6]C[6,6a]N[6,6]O)(CCO)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	O(B[6]C[6,6a]N[6,6]O)(CCO)	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	110.6109	3.686	19
874	856	893	0:SP3_SP2_SP2	B[6]	N[6]	O	3:2:3:2:	4:3:4:	4:3:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6]-3:C-4:	B[6]-4:B-3:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	O(B[6]C[6a]N[6]O[6])(BC[6a]O)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB){1|C<4>,2|H<1>,4|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	O(B[6]C[6a]N[6]O[6])(BC[6a]O)	108.7080	0.450	2	108.7080	0.202	2	108.7080	0.202	2	108.7080	0.202	2	110.8038	3.155	18	110.6109	3.686	19
874	856	893	0:SP3_SP2_SP2	B[6]	N[6]	O	3:3:2:1:	3:4:3:	3:4:	N[6]-3:N[6]-3:O-2:F-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])2(OC[6a])(F)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	O(C[6a]C[6a]2)(B[6]N[6]2F)	B[6](N[6]C[6a]C[6])2(OC[6a])(F){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	O(C[6a]C[6a]2)(B[6]N[6]2F)	109.3900	0.544	2	109.3900	0.296	2	109.3900	0.296	2	109.3900	0.296	2	110.8038	3.155	18	110.6109	3.686	19
874	856	893	0:SP3_SP2_SP2	B[6]	N[6]	O	3:3:2:1:	3:4:3:	4:3:	N[6]-3:N[6]-3:O-2:F-1:	C[6a]-3:B[6]-4:C[6]-3:	B[6]-4:C-3:	B[6](N[6]C[6a]C[6])2(OC)(F)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	O(B[6]N[6]2F)(CC[6a]O)	B[6](N[6]C[6a]C[6])2(OC)(F){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	O(B[6]N[6]2F)(CC[6a]O)	108.6850	3.349	2	108.6850	11.215	2	108.6850	11.215	2	108.6850	11.215	2	110.8038	3.155	18	110.6109	3.686	19
874	856	893	0:SP3_SP2_SP2	B[6]	N[6]	O	3:3:2:2:	3:4:2:	4:3:	N[6]-3:N[6]-3:O-2:O-2:	C[6a]-3:B[6]-4:N[6]-2:	B[6]-4:C-3:	B[6](N[6]C[6a]N[6])2(OC)2	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6])	O(B[6]N[6]2O)(CCO)	B[6](N[6]C[6a]N[6])2(OC)2{5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	O(B[6]N[6]2O)(CCO)	111.7418	0.934	12	111.7418	0.873	12	111.7418	0.873	12	111.7418	0.873	12	110.8038	3.155	18	110.6109	3.686	19
874	856	893	0:SP3_SP2_SP3	B[6,6]	N[3x6]	O	3:2:2:2:	3:3:4:	4:1:	N[3x6]-3:O[6]-2:O[6]-2:O-2:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	B[6,6]-4:H-1:	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH)	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O)	O(B[6,6]N[3x6]O[6]2)(H)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH){6|C<3>}	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O){2|H<1>,5|C<3>}	O(B[6,6]N[3x6]O[6]2)(H)	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6,6]	N[6,6]	O	3:2:2:2:	4:3:4:	4:4:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	B[6,6]-4:C[6]-3:C[6]-4:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH)	O(B[6,6]N[6,6]O[6]2)(CH3)	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC){1|C<4>,2|C<3>,5|H<1>}	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O(B[6,6]N[6,6]O[6]2)(CH3)	105.0280	0.000	1	105.0280	0.000	1	105.0280	0.000	1	105.0280	0.000	1	107.8107	9.171	3	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6,6]	N[6,6]	O	3:3:3:2:	4:3:4:	4:4:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O-2:	B[6,6]-4:C[3x6]-3:C[6]-4:	B[6,6]-4:S-4:	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS)	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH)	O(B[6,6]O[5,6,6]N[6,6]2)(SCOO)	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	O(B[6,6]O[5,6,6]N[6,6]2)(SCOO)	109.2020	2.594	2	109.2020	6.727	2	109.2020	6.727	2	109.2020	6.727	2	107.8107	9.171	3	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6,6]	N[6]	O	4:3:3:2:	4:4:4:	4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:P-4:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	O(B[6,6]N[6,6]N[6]2)(CH3)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	O(B[6,6]N[6,6]N[6]2)(CH3)	113.6975	0.206	2	113.6975	0.042	2	113.5217	0.097	6	113.5217	0.097	6	113.5217	0.097	6	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6,6]	N[6]	O	4:3:3:2:	4:4:4:	4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:P-4:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd)	O(B[6,6]N[6,6]N[6]2)(CCHH)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd){1|P<4>,3|C<4>,3|H<1>}	O(B[6,6]N[6,6]N[6]2)(CCHH)	113.1640	0.144	2	113.1640	0.021	2	113.5217	0.097	6	113.5217	0.097	6	113.5217	0.097	6	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6,6]	N[6]	O	4:3:3:2:	4:4:4:	4:4:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:P-4:	B[6,6]-4:C-4:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd)	O(B[6,6]N[6,6]N[6]2)(CH3)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd){1|P<4>,3|C<4>,3|H<1>}	O(B[6,6]N[6,6]N[6]2)(CH3)	113.7035	0.193	2	113.7035	0.037	2	113.5217	0.097	6	113.5217	0.097	6	113.5217	0.097	6	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6]	N[6,6]	O	3:3:2:2:	3:4:3:	4:1:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:H-1:	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O)	O(B[6]C[6,6a]N[6,6]O)(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	O(B[6]C[6,6a]N[6,6]O)(H)	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6]	N[6]	O	2:3:2:2:	3:4:4:	4:4:	O[6]-2:N[6]-3:O-2:O-2:	C[6]-3:B[6]-4:C-4:	B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH)	O(B[6]N[6]O[6]O)(CH3)	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2{1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH){2|C<3>}	O(B[6]N[6]O[6]O)(CH3)	106.9680	5.911	2	106.9680	34.945	2	106.9680	34.945	2	106.9680	34.945	2	108.9798	5.285	11	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6]	N[6]	O	3:2:2:2:	3:3:4:	4:4:	N[6]-3:O[6]-2:O-2:O-2:	C[6]-3:C[6a]-3:B[6]-4:	B[6]-4:C-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO)	O(B[6]N[6]O[6]O)(CH3)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2{1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO){2|H<1>,4|C<3>}	O(B[6]N[6]O[6]O)(CH3)	108.7000	0.310	2	108.7000	0.096	2	108.7000	0.096	2	108.7000	0.096	2	108.9798	5.285	11	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6]	N[6]	O	3:2:3:2:	4:3:4:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6]-3:C-4:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	O(B[6]C[6a]N[6]O[6])2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	O(B[6]C[6a]N[6]O[6])2	110.0115	0.504	2	110.0115	0.254	2	109.8412	0.953	6	109.6346	1.093	7	108.9798	5.285	11	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6]	N[6]	O	3:2:3:2:	4:3:4:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6]-3:C-4:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	O(B[6]C[6a]N[6]O[6])2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|F<1>,2|H<1>,4|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	O(B[6]C[6a]N[6]O[6])2	109.9570	1.375	2	109.7560	1.474	4	109.8412	0.953	6	109.6346	1.093	7	108.9798	5.285	11	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6]	N[6]	O	3:2:3:2:	4:3:4:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6]-3:C-4:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	O(B[6]C[6a]N[6]O[6])2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){3|H<1>,4|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	O(B[6]C[6a]N[6]O[6])2	109.5550	1.540	2	109.7560	1.474	4	109.8412	0.953	6	109.6346	1.093	7	108.9798	5.285	11	110.0990	8.624	22
874	856	893	0:SP3_SP2_SP3	B[6]	N[6]	O	3:2:3:2:	4:3:4:	4:4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	B[6]-4:C[6]-3:C-4:	B[6]-4:C-4:	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH)	O(B[6]C[6a]N[6]O[6])(CH3)	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	O(B[6]C[6a]N[6]O[6])(CH3)	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	109.6346	1.093	7	108.9798	5.285	11	110.0990	8.624	22
874	856	893	0:SP3_SP3_SP3	B[6,6]	N[6]	O	4:3:3:2:	4:4:4:	4:1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	B[6,6]-4:C[6]-4:P-4:	B[6,6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH)	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	O(B[6,6]N[6,6]N[6]2)(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH){2|C<4>,8|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	O(B[6,6]N[6,6]N[6]2)(H)	111.7470	1.329	2	111.7470	1.767	2	111.7470	1.767	2	111.7470	1.767	2	111.7470	1.767	2	111.7470	1.767	2
874	856	914	6:SP3_SP2_SP2	B[6]	N[6]	N[6]	3:3:3:2:	4:3:4:	4:3:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-2:	B[6]-4:C[6]-3:C-4:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(N[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	N[6](B[6]C[6a]2N[6])(C[6]N[6]C)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(N[6]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>,4|F<1>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){1|C<4>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]C){2|C<4>,5|C<3>}	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1
874	856	916	6:SP3_SP2_SP3	B[6,6]	N[6,6]	O[5,6,6]	3:3:3:2:	4:3:4:	3:4:4:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O-2:	B[6,6]-4:C[3x6]-3:C[6]-4:	C[5,6a]-3:B[5,6,6]-4:B[6,6]-4:	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS)	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH)	O[5,6,6](C[5,6a]C[6a,6a]C[5,6a])(B[5,6,6]N[6,6]2O[5])(B[6,6]N[6,6]2O)	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	O[5,6,6](C[5,6a]C[6a,6a]C[5,6a])(B[5,6,6]N[6,6]2O[5])(B[6,6]N[6,6]2O){4|C<4>,5|C<3>}	107.2890	0.590	2	107.2890	0.348	2	107.2890	0.348	2	107.2890	0.348	2	107.2890	0.348	2	107.2890	0.348	2
874	856	924	0:SP3_SP-NON_SP2	B[6]	N[6,6]	Br	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:Br-1:Br-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H)	Br(B[6]N[6,6]C[6]Br)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2{1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	Br(B[6]N[6,6]C[6]Br)	107.7150	4.773	2	107.7150	22.781	2	107.7150	22.781	2	107.7150	22.781	2	107.7150	22.781	2	109.0430	9.964	4
874	856	924	0:SP3_SP-NON_SP2	B[6]	N[6]	Br	3:3:1:1:	4:3:3:	4:	N[6]-3:N[6]-3:Br-1:Br-1:	B[6]-4:C[6a]-3:C[6]-3:	B[6]-4:	B[6](N[6]C[6a]C[6])2(Br)2	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	Br(B[6]N[6]2Br)	B[6](N[6]C[6a]C[6])2(Br)2{2|C<4>,5|C<3>}	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	Br(B[6]N[6]2Br)	110.3710	0.238	2	110.3710	0.056	2	110.3710	0.056	2	110.3710	0.056	2	110.3710	0.056	2	109.0430	9.964	4
874	856	930	0:SP3_SP2_SP2	B[6]	N[6,6]	C	3:2:3:1:	3:4:3:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6,6a]-3:B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H){1|H<1>,4|C<3>}	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	106.9610	1.077	7	106.9610	1.077	7	107.1094	1.099	8
874	856	930	0:SP3_SP2_SP2	B[6]	N[6,6]	C	3:2:3:1:	3:4:3:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C){2|H<1>,3|C<3>}	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	105.2100	0.000	1	105.2100	0.000	1	106.9118	1.272	6	106.9610	1.077	7	106.9610	1.077	7	107.1094	1.099	8
874	856	930	0:SP3_SP2_SP2	B[6]	N[6,6]	C	3:2:3:1:	3:4:3:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	107.0875	0.607	2	106.9350	0.291	4	106.9118	1.272	6	106.9610	1.077	7	106.9610	1.077	7	107.1094	1.099	8
874	856	930	0:SP3_SP2_SP2	B[6]	N[6,6]	C	3:2:3:1:	3:4:3:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	106.7825	0.641	2	106.9350	0.291	4	106.9118	1.272	6	106.9610	1.077	7	106.9610	1.077	7	107.1094	1.099	8
874	856	930	0:SP3_SP2_SP2	B[6]	N[6,6]	C	3:2:3:1:	3:4:3:	4:3:1:	N[6,6]-3:O[6]-2:C-3:F-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:O-1:	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	108.5210	0.000	1	108.5210	0.000	1	106.9118	1.272	6	106.9610	1.077	7	106.9610	1.077	7	107.1094	1.099	8
874	856	930	0:SP3_SP2_SP2	B[6]	N[6]	C	3:2:3:1:	3:3:4:	4:3:1:	N[6]-3:O[6]-2:C-3:F-1:	C[6]-3:C[6a]-3:B[6]-4:	B[6]-4:C[6a]-3:O-1:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF)	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF){2|H<1>,4|C<3>}	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	107.1094	1.099	8
874	856	944	0:SP3_SP-NON_SP2	B[6]	N[6,6]	I	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:I-1:I-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H)	I(B[6]N[6,6]C[6]I)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2{1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	I(B[6]N[6,6]C[6]I)	108.4400	5.401	2	108.4400	29.170	2	108.4400	29.170	2	108.4400	29.170	2	108.4400	29.170	2	109.5555	12.224	6
874	856	944	0:SP3_SP-NON_SP2	B[6]	N[6]	I	3:3:1:1:	3:4:3:	4:	N[6]-3:N[6]-3:I-1:I-1:	C[6a]-3:B[6]-4:C[6]-3:	B[6]-4:	B[6](N[6]C[6a]C[6])2(I)2	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C)	I(B[6]N[6]2I)	B[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	I(B[6]N[6]2I)	110.1132	3.067	4	110.1132	9.405	4	110.1132	9.405	4	110.1132	9.405	4	110.1132	9.405	4	109.5555	12.224	6
874	856	948	0:SP3_SP-NON_SP2	B[3x6]	N[6]	H[6]	4:4:2:3:	4:3:4:	4:4:	C[6,6]-4:C[6,6]-4:H[6]-2:N[6]-3:	B[3x6]-4:C[6]-3:C-4:	B[3x6]-4:B[3x6]-4:	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C)	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH)	H[6](B[3x6]C[6,6]2N[6])2	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C){1|N<3>,2|C<4>,9|H<1>}	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH){1|B<4>,2|H<1>,5|C<4>}	H[6](B[3x6]C[6,6]2N[6])2	102.6255	1.587	2	102.6255	2.520	2	102.6255	2.520	2	102.6255	2.520	2	102.6255	2.520	2	102.6255	2.520	2
874	856	951	0:SP3_SP-NON_SP2	B[6,6]	N[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H)	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2	H(B[6,6]C[6,6]2N[6])	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H){10|H<1>,2|C<3>,2|C<4>}	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	H(B[6,6]C[6,6]2N[6])	102.3730	0.000	1	102.3730	0.000	1	102.3730	0.000	1	102.3730	0.000	1	102.3730	0.000	1	107.8358	6.754	12
874	856	951	0:SP3_SP-NON_SP2	B[6]	N[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:B[6]-4:N[6]-2:	B[6]-4:	B[6](N[6]C[6a]N[6])2(H)2	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6])	H(B[6]N[6]2H)	B[6](N[6]C[6a]N[6])2(H)2{5|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	H(B[6]N[6]2H)	109.2855	1.982	4	109.2855	3.928	4	109.2855	3.928	4	109.2855	3.928	4	108.3325	4.174	11	107.8358	6.754	12
874	856	951	0:SP3_SP-NON_SP2	B[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	P[6]-4:C[6a]-3:B[6]-4:	B[6]-4:	B[6](N[6]C[6a]P[6])2(H)2	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH)	H(B[6]N[6]2H)	B[6](N[6]C[6a]P[6])2(H)2{9|C<3>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH){1|Cl<1>,1|P<4>,2|C<4>,7|C<3>}	H(B[6]N[6]2H)	108.0768	0.841	4	108.0768	0.706	4	108.0768	0.706	4	108.0768	0.706	4	108.3325	4.174	11	107.8358	6.754	12
874	856	951	0:SP3_SP-NON_SP2	B[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H)	H(B[6]C[6,6a]C[5,6]N[6])	B[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(N[6]C[6]2)(H){2|C<4>,2|H<1>,7|C<3>}	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	H(B[6]C[6,6a]C[5,6]N[6])	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	109.2130	1.689	2	108.3325	4.174	11	107.8358	6.754	12
874	856	951	0:SP3_SP-NON_SP2	B[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[5a,6]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H)	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2	H(B[6]N[5a,6]2N[6])	B[6](N[5a,6]C[5a,6]C[5a])2(N[6]C[6]2)(H){2|H<1>,3|C<4>,6|C<3>}	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(B[6]N[5a,6]2N[6])	110.1320	0.000	1	110.1320	0.000	1	110.1320	0.000	1	109.2130	1.689	2	108.3325	4.174	11	107.8358	6.754	12
874	856	951	0:SP3_SP-NON_SP2	B[6]	N[6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	B[6]-4:	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H)	N[6](B[6]C[6]2H)(C[6]C[6]H)2	H(B[6]C[6]2N[6])	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,6|H<1>}	N[6](B[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	H(B[6]C[6]2N[6])	103.7820	0.000	1	103.7820	0.000	1	103.7820	0.000	1	103.7820	0.000	1	108.3325	4.174	11	107.8358	6.754	12
874	856	951	0:SP3_SP-NON_SP3	B[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	B[6]-4:C[6]-4:C-4:	B[6]-4:	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)	H(B[6]C[6]N[6]H)	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3){1|C<4>,4|H<1>}	H(B[6]C[6]N[6]H)	111.2365	0.035	2	111.2365	0.001	2	111.2365	0.001	2	111.2365	0.001	2	111.2365	0.001	2	111.2365	0.001	2
874	856	999	6:SP3_SP2_SP3	B[6]	N[6]	N[5,6]	3:4:1:1:	3:4:3:	4:4:4:4:	N[6]-3:N[5,6]-4:F-1:F-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6]-4:B[6]-4:C[5]-4:C[5]-4:	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2{2|C<4>,4|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,4|C<3>,5|C<4>}	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1
874	874	892	0:SP3_SP3_SP3	B[6,6]	B[6,6]	N	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	B[6,6]-4:C-4:C-4:H-1:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	114.7085	2.007	2	114.7085	4.030	2	114.7085	4.030	2	114.7085	4.030	2	114.7085	4.030	2	113.8220	4.373	3
874	874	892	0:SP3_SP3_SP3	B[6]	B[6]	N	2:2:4:4:	2:2:4:4:	4:4:4:1:	O[6]-2:O[6]-2:B[6]-4:N-4:	O[6]-2:O[6]-2:B[6]-4:N-4:	B[6]-4:C-4:C-4:H-1:	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH)	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH)	N(B[6]B[6]O[6]2)(CH3)2(H)	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH){5|C<3>}	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH){5|C<3>}	N(B[6]B[6]O[6]2)(CH3)2(H)	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	113.8220	4.373	3
874	874	924	0:SP3_SP-NON_SP3	B[6]	B[6]	Br	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:B[6]-4:P-3:Br-1:	B[6]-4:P[6]-4:P-4:H-1:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H)	Br(B[6]C[6,6a]B[6]P)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br){1|H<1>,2|C<3>,3|C<4>}	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H){2|C<3>,4|C<4>,4|H<1>}	Br(B[6]C[6,6a]B[6]P)	111.1070	0.000	1	111.1070	0.000	1	111.1070	0.000	1	111.1070	0.000	1	111.9550	1.438	2	111.9550	1.438	2
874	874	924	0:SP3_SP-NON_SP3	B[6]	B[6]	Br	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:B[6]-4:P-4:Br-1:	B[6]-4:P[6]-4:P-3:H-1:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H)	Br(B[6]C[6,6a]B[6]P)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br){1|H<1>,2|C<3>,3|C<4>}	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H){2|C<3>,4|C<4>,4|H<1>}	Br(B[6]C[6,6a]B[6]P)	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	111.9550	1.438	2	111.9550	1.438	2
874	874	945	0:SP3_SP3_SP3	B[6,6]	B[6,6]	P	3:4:4:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:B[6,6]-4:P[6]-4:P-3:	C[6,6a]-3:B[6,6]-4:P[6]-4:H-1:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2)	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H)	P(B[6,6]C[6,6a]B[6,6]P[6])(C[6a]C[6a]2)2	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2){4|C<3>,5|H<1>,7|C<4>}	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H){4|C<3>,5|H<1>,7|C<4>}	P(B[6,6]C[6,6a]B[6,6]P[6])(C[6a]C[6a]2)2	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	110.2560	38.740	3
874	874	945	0:SP3_SP3_SP3	B[6]	B[6]	P	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:B[6]-4:P-3:Br-1:	B[6]-4:P[6]-4:P-4:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H)	P(B[6]C[6,6a]B[6]Br)(C[6a]C[6a]2)2	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br){1|H<1>,2|C<3>,3|C<4>}	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H){2|C<3>,4|C<4>,4|H<1>}	P(B[6]C[6,6a]B[6]Br)(C[6a]C[6a]2)2	103.0690	0.000	1	103.0690	0.000	1	103.0690	0.000	1	103.0690	0.000	1	108.4580	58.083	2	110.2560	38.740	3
874	874	945	0:SP3_SP3_SP3	B[6]	B[6]	P	4:4:3:1:	3:4:4:1:	4:3:3:	B[6]-4:P[6]-4:P-3:H-1:	C[6,6a]-3:B[6]-4:P-4:Br-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br)	P(B[6]B[6]P[6]H)(C[6a]C[6a]2)2	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H){2|C<3>,4|C<4>,4|H<1>}	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br){1|H<1>,2|C<3>,3|C<4>}	P(B[6]B[6]P[6]H)(C[6a]C[6a]2)2	113.8470	0.000	1	113.8470	0.000	1	113.8470	0.000	1	113.8470	0.000	1	108.4580	58.083	2	110.2560	38.740	3
874	874	951	0:SP3_SP-NON_SP3	B[6,6]	B[6,6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:B[6,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:B[6,6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H)	H(B[6,6]C[6,6a]2B[6,6])	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H){2|H<1>,8|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(B[6,6]C[6,6a]2H)(H){2|H<1>,8|C<3>}	H(B[6,6]C[6,6a]2B[6,6])	108.4555	3.972	2	108.4555	15.775	2	108.4555	15.775	2	108.4555	15.775	2	108.4103	7.894	3	109.3616	7.715	5
874	874	951	0:SP3_SP-NON_SP3	B[6,6]	B[6,6]	H	3:4:4:1:	3:4:4:3:	4:	C[6,6a]-3:B[6,6]-4:P[6]-4:H-1:	C[6,6a]-3:B[6,6]-4:P[6]-4:P-3:	B[6,6]-4:	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H)	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2)	H(B[6,6]C[6,6a]B[6,6]P[6])	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]P)(P[6]C[6]3)(H){4|C<3>,5|H<1>,7|C<4>}	B[6,6](C[6,6a]C[6,6a]C[6a])(B[6,6]C[6,6a]P[6]H)(P[6]C[6]3)(PC[6a]2){4|C<3>,5|H<1>,7|C<4>}	H(B[6,6]C[6,6a]B[6,6]P[6])	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	108.4103	7.894	3	109.3616	7.715	5
874	874	951	0:SP3_SP-NON_SP3	B[6]	B[6]	H	4:4:3:1:	3:4:4:1:	4:	B[6]-4:P[6]-4:P-3:H-1:	C[6,6a]-3:B[6]-4:P-4:Br-1:	B[6]-4:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br)	H(B[6]B[6]P[6]P)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H){2|C<3>,4|C<4>,4|H<1>}	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br){1|H<1>,2|C<3>,3|C<4>}	H(B[6]B[6]P[6]P)	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	110.7885	8.287	2	109.3616	7.715	5
874	874	951	0:SP3_SP-NON_SP3	B[6]	B[6]	H	4:4:4:1:	3:4:3:1:	4:	B[6]-4:P[6]-4:P-4:H-1:	C[6,6a]-3:B[6]-4:P-3:Br-1:	B[6]-4:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br)	H(B[6]B[6]P[6]P)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H){2|C<3>,4|C<4>,4|H<1>}	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br){1|H<1>,2|C<3>,3|C<4>}	H(B[6]B[6]P[6]P)	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	110.7885	8.287	2	109.3616	7.715	5
874	874	992	0:SP3_SP3_SP3	B[6]	B[6]	P	3:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6a]-3:B[6]-4:P-4:Br-1:	B[6]-4:P[6]-4:P-3:H-1:	B[6]-4:C-4:C-4:C-4:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H)	P(B[6]C[6,6a]B[6]Br)(CH3)3	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br){1|H<1>,2|C<3>,3|C<4>}	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H){2|C<3>,4|C<4>,4|H<1>}	P(B[6]C[6,6a]B[6]Br)(CH3)3	104.9670	0.000	1	104.9670	0.000	1	104.9670	0.000	1	104.9670	0.000	1	110.9770	72.240	2	110.9770	72.240	2
874	874	992	0:SP3_SP3_SP3	B[6]	B[6]	P	4:4:4:1:	3:4:3:1:	4:4:4:4:	B[6]-4:P[6]-4:P-4:H-1:	C[6,6a]-3:B[6]-4:P-3:Br-1:	B[6]-4:C-4:C-4:C-4:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H)	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br)	P(B[6]B[6]P[6]H)(CH3)3	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H){2|C<3>,4|C<4>,4|H<1>}	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br){1|H<1>,2|C<3>,3|C<4>}	P(B[6]B[6]P[6]H)(CH3)3	116.9870	0.000	1	116.9870	0.000	1	116.9870	0.000	1	116.9870	0.000	1	110.9770	72.240	2	110.9770	72.240	2
874	887	951	0:SP3_SP-NON_SP3	B[6]	S	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6,6a]-3:S-3:H-1:	B[6]-4:C-4:C-4:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])2(SCC)(H)	S(B[6]C[6,6a]2H)(CH3)2	H(B[6]C[6,6a]2S)	B[6](C[6,6a]C[6,6a]C[6a])2(SCC)(H){1|B<4>,2|H<1>,4|C<3>}	S(B[6]C[6,6a]2H)(CH3)2	H(B[6]C[6,6a]2S)	102.9760	1.655	2	102.9760	2.738	2	101.3224	9.572	3	101.3224	9.572	3	101.3224	9.572	3	101.3224	9.572	3
874	887	951	0:SP3_SP-NON_SP3	B[6]	S	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6,6a]-3:S-3:H-1:	B[6]-4:C-4:C-4:	B[6]-4:	B[6](C[6,6a]C[6a,6a]C[6,6a])2(SCC)(H)	S(B[6]C[6,6a]2H)(CH3)2	H(B[6]C[6,6a]2S)	B[6](C[6,6a]C[6a,6a]C[6,6a])2(SCC)(H){1|B<4>,6|C<3>}	S(B[6]C[6,6a]2H)(CH3)2	H(B[6]C[6,6a]2S)	98.0153	0.000	1	98.0153	0.000	1	101.3224	9.572	3	101.3224	9.572	3	101.3224	9.572	3	101.3224	9.572	3
874	892	892	0:SP3_SP3_SP3	B[6,6]	N	N	4:3:4:4:	4:4:4:1:	4:4:4:1:	C[3x6]-4:B[6,6]-3:N-4:N-4:	B[6,6]-4:C-4:C-4:H-1:	B[6,6]-4:C-4:C-4:H-1:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2{1|H<1>,4|C<3>}	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	103.2530	0.000	1	103.2530	0.000	1	103.2530	0.000	1	103.2530	0.000	1	103.2530	0.000	1	103.2530	0.000	1
874	893	893	0:SP3_SP2_SP2	B[6,6]	O	O	4:4:2:2:	4:3:	4:3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:C-3:	B[6,6]-4:C-3:	B[6,6](C[6,6]C[6]2H)2(OC)2	O(B[6,6]C[6,6]2O)(CC[6a]O)	O(B[6,6]C[6,6]2O)(CC[6a]O)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	O(B[6,6]C[6,6]2O)(CC[6a]O)	O(B[6,6]C[6,6]2O)(CC[6a]O)	106.6110	0.000	1	106.6110	0.000	1	103.5593	7.495	3	103.5593	7.495	3	103.5593	7.495	3	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP2	B[6,6]	O	O	4:4:2:2:	4:3:	4:3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:C-3:	B[6,6]-4:C-3:	B[6,6](C[6,6]C[6]2H)2(OC)2	O(B[6,6]C[6,6]2O)(CHO)	O(B[6,6]C[6,6]2O)(CHO)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	O(B[6,6]C[6,6]2O)(CHO)	O(B[6,6]C[6,6]2O)(CHO)	102.0335	1.010	2	102.0335	1.021	2	103.5593	7.495	3	103.5593	7.495	3	103.5593	7.495	3	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP2	B[6]	O	O	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O-2:O-2:	C[6a]-3:B[6]-4:	C[6a]-3:B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2	O(C[6a]C[6a]2)(B[6]O[6]2O)	O(C[6a]C[6a]2)(B[6]O[6]2O)	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2{3|C<3>}	O(C[6a]C[6a]2)(B[6]O[6]2O)	O(C[6a]C[6a]2)(B[6]O[6]2O)	113.3660	0.000	1	113.3660	0.000	1	114.0255	0.870	2	114.0255	0.870	2	109.8994	27.159	10	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP2	B[6]	O	O	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O-2:O-2:	C[6a]-3:B[6]-4:	C[6a]-3:B[6]-4:	B[6](O[6]C[6])2(OC[6a])2	O(C[6a]C[6a]2)(B[6]O[6]2O)	O(C[6a]C[6a]2)(B[6]O[6]2O)	B[6](O[6]C[6])2(OC[6a])2{3|C<3>}	O(C[6a]C[6a]2)(B[6]O[6]2O)	O(C[6a]C[6a]2)(B[6]O[6]2O)	114.6850	0.000	1	114.6850	0.000	1	114.0255	0.870	2	114.0255	0.870	2	109.8994	27.159	10	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP2	B[6]	O	O	3:2:2:2:	4:3:	4:3:	O[6]-3:O[6]-2:O-2:O-2:	B[6]-4:B[6]-3:	B[6]-4:B-3:	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB)	O(B[6]O[6]2O)(B[6]O[6]2)	O(B[6]O[6]2O)(BOO)	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB){3|O<2>}	O(B[6]O[6]2O)(B[6]O[6]2)	O(B[6]O[6]2O)(BOO)	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	110.7075	0.127	2	109.8994	27.159	10	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP2	B[6]	O	O	3:2:2:2:	4:3:	4:3:	O[6]-3:O[6]-2:O-2:O-2:	B[6]-4:B[6]-3:	B[6]-4:B[6]-3:	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2	O(B[6]O[6]2O)(B[6]O[6]2)	O(B[6]O[6]2O)(B[6]O[6]2)	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2{3|O<2>}	O(B[6]O[6]2O)(B[6]O[6]2)	O(B[6]O[6]2O)(B[6]O[6]2)	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.7075	0.127	2	109.8994	27.159	10	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP2	B[6]	O	O	3:3:2:2:	4:3:	4:3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	B[6]-4:C[6a]-3:	B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|S<2>,6|C<3>}	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	116.2000	0.000	1	116.2000	0.000	1	116.2210	0.001	2	108.2547	38.369	6	109.8994	27.159	10	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP2	B[6]	O	O	3:3:2:2:	4:3:	4:3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	B[6]-4:C[6a]-3:	B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|O<2>,6|C<3>}	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	116.2420	0.000	1	116.2420	0.000	1	116.2210	0.001	2	108.2547	38.369	6	109.8994	27.159	10	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP2	B[6]	O	O	3:3:2:2:	4:3:	4:3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	B[6]-4:C[6a]-3:	B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2{2|C<4>,5|C<3>}	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	104.0730	0.000	1	104.0730	0.000	1	104.0730	0.000	1	108.2547	38.369	6	109.8994	27.159	10	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP2	B[6]	O	O	3:3:2:2:	4:3:	4:3:	N[6]-3:N[6]-3:O-2:O-2:	B[6]-4:C-3:	B[6]-4:C-3:	B[6](N[6]C[6a]N[6])2(OC)2	O(B[6]N[6]2O)(CCO)	O(B[6]N[6]2O)(CCO)	B[6](N[6]C[6a]N[6])2(OC)2{5|C<3>}	O(B[6]N[6]2O)(CCO)	O(B[6]N[6]2O)(CCO)	104.3377	0.838	3	104.3377	0.703	3	104.3377	0.703	3	108.2547	38.369	6	109.8994	27.159	10	108.4363	29.348	13
874	893	893	0:SP3_SP2_SP3	B[6,6]	O	O	4:4:2:2:	4:4:	4:3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:C-4:	B[6,6]-4:C-3:	B[6,6](C[6,6]C[6]2H)2(OC)2	O(B[6,6]C[6,6]2O)(CHHP)	O(B[6,6]C[6,6]2O)(CHO)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	O(B[6,6]C[6,6]2O)(CHHP)	O(B[6,6]C[6,6]2O)(CHO)	105.7700	0.037	2	105.7700	0.001	2	105.7700	0.001	2	105.7700	0.001	2	105.7700	0.001	2	106.1437	0.397	4
874	893	893	0:SP3_SP2_SP3	B[6]	O	O	3:3:2:2:	4:3:	4:1:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	B[6]-4:C-3:	B[6]-4:H-1:	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	O(B[6]C[6,6a]N[6,6]O)(CCO)	O(B[6]C[6,6a]N[6,6]O)(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	O(B[6]C[6,6a]N[6,6]O)(CCO)	O(B[6]C[6,6a]N[6,6]O)(H)	107.0790	0.000	1	107.0790	0.000	1	107.0790	0.000	1	106.5175	0.631	2	106.5175	0.631	2	106.1437	0.397	4
874	893	893	0:SP3_SP2_SP3	B[6]	O	O	3:3:2:2:	4:3:	4:1:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	B[6]-4:C-3:	B[6]-4:H-1:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH)	O(B[6]N[5a,6]2O)(CCO)	O(B[6]N[5a,6]2O)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH){2|C<4>,5|C<3>}	O(B[6]N[5a,6]2O)(CCO)	O(B[6]N[5a,6]2O)(H)	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	106.5175	0.631	2	106.5175	0.631	2	106.1437	0.397	4
874	893	893	0:SP3_SP3_SP3	B[6,6]	O	O	4:4:2:2:	4:3:	4:3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:N-3:	B[6,6]-4:N-3:	B[6,6](C[6,6]C[6]2H)2(ON)2	O(B[6,6]C[6,6]2O)(NNiC)	O(B[6,6]C[6,6]2O)(NNiC)	B[6,6](C[6,6]C[6]2H)2(ON)2{2|C<4>,8|H<1>}	O(B[6,6]C[6,6]2O)(NNiC)	O(B[6,6]C[6,6]2O)(NNiC)	107.4800	0.443	3	107.4800	0.197	3	107.4800	0.197	3	107.4800	0.197	3	107.4800	0.197	3	108.0944	7.444	19
874	893	893	0:SP3_SP3_SP3	B[6]	O	O	2:3:2:2:	4:4:	4:4:	O[6]-2:N[6]-3:O-2:O-2:	B[6]-4:C-4:	B[6]-4:C-4:	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2	O(B[6]N[6]O[6]O)(CH3)	O(B[6]N[6]O[6]O)(CH3)	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2{1|H<1>,2|C<3>}	O(B[6]N[6]O[6]O)(CH3)	O(B[6]N[6]O[6]O)(CH3)	112.5580	0.000	1	112.5580	0.000	1	112.5580	0.000	1	112.5580	0.000	1	108.2096	8.816	16	108.0944	7.444	19
874	893	893	0:SP3_SP3_SP3	B[6]	O	O	3:2:2:2:	4:4:	4:4:	N[6]-3:O[6]-2:O-2:O-2:	B[6]-4:C-4:	B[6]-4:C-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2	O(B[6]N[6]O[6]O)(CH3)	O(B[6]N[6]O[6]O)(CH3)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2{1|H<1>,4|C<3>}	O(B[6]N[6]O[6]O)(CH3)	O(B[6]N[6]O[6]O)(CH3)	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	108.2096	8.816	16	108.0944	7.444	19
874	893	893	0:SP3_SP3_SP3	B[6]	O	O	3:3:2:2:	4:4:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	B[6]-4:C-4:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CCCH)	O(B[6]N[5a,6]2O)(CCCH)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	O(B[6]N[5a,6]2O)(CCCH)	O(B[6]N[5a,6]2O)(CCCH)	107.6900	0.000	1	107.6900	0.000	1	106.7765	0.757	12	106.7765	0.757	12	108.2096	8.816	16	108.0944	7.444	19
874	893	893	0:SP3_SP3_SP3	B[6]	O	O	3:3:2:2:	4:4:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	B[6]-4:C-4:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CCHH)	O(B[6]N[5a,6]2O)(CCHH)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	O(B[6]N[5a,6]2O)(CCHH)	O(B[6]N[5a,6]2O)(CCHH)	105.9070	0.991	4	105.9070	0.981	4	106.7765	0.757	12	106.7765	0.757	12	108.2096	8.816	16	108.0944	7.444	19
874	893	893	0:SP3_SP3_SP3	B[6]	O	O	3:3:2:2:	4:4:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	B[6]-4:C-4:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CC[5a]HH)	O(B[6]N[5a,6]2O)(CC[5a]HH)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	O(B[6]N[5a,6]2O)(CC[5a]HH)	O(B[6]N[5a,6]2O)(CC[5a]HH)	106.8710	0.078	2	106.8710	0.006	2	106.7765	0.757	12	106.7765	0.757	12	108.2096	8.816	16	108.0944	7.444	19
874	893	893	0:SP3_SP3_SP3	B[6]	O	O	3:3:2:2:	4:4:	4:4:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	B[6]-4:C-4:	B[6]-4:C-4:	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CH3)	O(B[6]N[5a,6]2O)(CH3)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	O(B[6]N[5a,6]2O)(CH3)	O(B[6]N[5a,6]2O)(CH3)	107.2516	0.303	5	107.2516	0.092	5	106.7765	0.757	12	106.7765	0.757	12	108.2096	8.816	16	108.0944	7.444	19
874	893	893	0:SP3_SP3_SP3	B[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:N[6]-4:O-2:O-2:	B[6]-4:C-4:	B[6]-4:C-4:	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	O(B[6]C[6]N[6]O)(CCHH)	O(B[6]C[6]N[6]O)(CCHH)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	O(B[6]C[6]N[6]O)(CCHH)	O(B[6]C[6]N[6]O)(CCHH)	114.5455	0.230	2	114.5455	0.053	2	114.5455	0.053	2	114.5455	0.053	2	108.2096	8.816	16	108.0944	7.444	19
874	893	916	0:SP3_SP3_SP3	B[6,6]	O	O[5,6,6]	3:3:3:2:	4:4:	3:4:4:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O-2:	B[6,6]-4:S-4:	C[5,6a]-3:B[5,6,6]-4:B[6,6]-4:	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS)	O(B[6,6]O[5,6,6]N[6,6]2)(SCOO)	O[5,6,6](C[5,6a]C[6a,6a]C[5,6a])(B[5,6,6]N[6,6]2O[5])(B[6,6]N[6,6]2O)	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	O(B[6,6]O[5,6,6]N[6,6]2)(SCOO)	O[5,6,6](C[5,6a]C[6a,6a]C[5,6a])(B[5,6,6]N[6,6]2O[5])(B[6,6]N[6,6]2O){4|C<4>,5|C<3>}	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1
874	922	922	6:SP3_SP3_SP3	B[3x6]	S[6]	S[6]	4:4:3:3:	4:4:4:	4:4:4:	C[6,6]-4:C[6,6]-4:S[6]-3:S[6]-3:	B[3x6]-4:C[6]-4:C-4:	B[3x6]-4:C[6]-4:C-4:	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2	S[6](B[3x6]C[6,6]2S[6])(C[6]B[3x6]HH)(CH3)	S[6](B[3x6]C[6,6]2S[6])(C[6]B[3x6]HH)(CH3)	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2{12|H<1>,1|B<4>,2|C<4>}	S[6](B[3x6]C[6,6]2S[6])(C[6]B[3x6]HH)(CH3){2|H<1>,8|C<4>}	S[6](B[3x6]C[6,6]2S[6])(C[6]B[3x6]HH)(CH3){2|H<1>,8|C<4>}	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1
874	924	924	0:SP3_SP-NON_SP-NON	B[6]	Br	Br	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:Br-1:Br-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])2(Br)2	Br(B[6]N[6]2Br)	Br(B[6]N[6]2Br)	B[6](N[6]C[6a]C[6])2(Br)2{2|C<4>,5|C<3>}	Br(B[6]N[6]2Br)	Br(B[6]N[6]2Br)	104.9190	0.000	1	104.9190	0.000	1	104.9190	0.000	1	104.9190	0.000	1	106.0485	2.552	2	106.0485	2.552	2
874	924	924	0:SP3_SP-NON_SP-NON	B[6]	Br	Br	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:Br-1:Br-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2	Br(B[6]N[6,6]C[6]Br)	Br(B[6]N[6,6]C[6]Br)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2{1|H<1>,4|C<3>}	Br(B[6]N[6,6]C[6]Br)	Br(B[6]N[6,6]C[6]Br)	107.1780	0.000	1	107.1780	0.000	1	107.1780	0.000	1	107.1780	0.000	1	106.0485	2.552	2	106.0485	2.552	2
874	924	945	0:SP3_SP-NON_SP3	B[6]	Br	P	3:4:3:1:	4:	4:3:3:	C[6,6a]-3:B[6]-4:P-3:Br-1:	B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br)	Br(B[6]C[6,6a]B[6]P)	P(B[6]C[6,6a]B[6]Br)(C[6a]C[6a]2)2	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC[6a]2)(Br){1|H<1>,2|C<3>,3|C<4>}	Br(B[6]C[6,6a]B[6]P)	P(B[6]C[6,6a]B[6]Br)(C[6a]C[6a]2)2	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1
874	924	992	0:SP3_SP-NON_SP3	B[6]	Br	P	3:4:4:1:	4:	4:4:4:4:	C[6,6a]-3:B[6]-4:P-4:Br-1:	B[6]-4:	B[6]-4:C-4:C-4:C-4:	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br)	Br(B[6]C[6,6a]B[6]P)	P(B[6]C[6,6a]B[6]Br)(CH3)3	B[6](C[6,6a]C[6,6a]C[6a])(B[6]P[6]HP)(PC3)(Br){1|H<1>,2|C<3>,3|C<4>}	Br(B[6]C[6,6a]B[6]P)	P(B[6]C[6,6a]B[6]Br)(CH3)3	101.1770	0.000	1	101.1770	0.000	1	101.1770	0.000	1	101.1770	0.000	1	101.1770	0.000	1	101.1770	0.000	1
874	930	930	0:SP3_SP2_SP2	B[6]	C	C	2:4:3:3:	4:3:3:	4:3:3:	O[6]-2:N[6]-4:C-3:C-3:	B[6]-4:C[6a]-3:C-3:	B[6]-4:C[6a]-3:C-3:	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2	C(B[6]N[6]O[6]C)(C[6a]C[6a]2)(CC[6a]Te)	C(B[6]N[6]O[6]C)(C[6a]C[6a]2)(CC[6a]Te)	B[6](O[6]C[6,6a])(N[6]C[6]HH)(CC[6a]C)2{2|C<3>,2|H<1>}	C(B[6]N[6]O[6]C)(C[6a]C[6a]2)(CC[6a]Te)	C(B[6]N[6]O[6]C)(C[6a]C[6a]2)(CC[6a]Te)	113.2367	2.440	3	113.2367	5.955	3	113.2367	5.955	3	113.2367	5.955	3	114.6368	6.660	5	114.6368	6.660	5
874	930	930	0:SP3_SP2_SP2	B[6]	C	C	3:3:3:3:	4:3:1:	4:3:1:	N[5a,6]-3:N[5a,6]-3:C-3:C-3:	B[6]-4:C-3:H-1:	B[6]-4:C-3:H-1:	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2	C(B[6]N[5a,6]2C)(CHH)(H)	C(B[6]N[5a,6]2C)(CHH)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2{1|N<2>,6|C<3>}	C(B[6]N[5a,6]2C)(CHH)(H)	C(B[6]N[5a,6]2C)(CHH)(H)	116.7370	0.161	2	116.7370	0.026	2	116.7370	0.026	2	116.7370	0.026	2	114.6368	6.660	5	114.6368	6.660	5
874	944	944	0:SP3_SP-NON_SP-NON	B[6]	I	I	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:I-1:I-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]C[6])2(I)2	I(B[6]N[6]2I)	I(B[6]N[6]2I)	B[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	I(B[6]N[6]2I)	I(B[6]N[6]2I)	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	107.4925	0.626	2	107.4925	0.626	2
874	944	944	0:SP3_SP-NON_SP-NON	B[6]	I	I	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:I-1:I-1:	B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2	I(B[6]N[6,6]C[6]I)	I(B[6]N[6,6]C[6]I)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2{1|H<1>,4|C<3>}	I(B[6]N[6,6]C[6]I)	I(B[6]N[6,6]C[6]I)	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	107.4925	0.626	2	107.4925	0.626	2
874	945	951	0:SP3_SP-NON_SP3	B[6]	P	H	4:4:3:1:	4:3:3:	4:	B[6]-4:P[6]-4:P-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H)	P(B[6]B[6]P[6]H)(C[6a]C[6a]2)2	H(B[6]B[6]P[6]P)	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC[6a]2)(H){2|C<3>,4|C<4>,4|H<1>}	P(B[6]B[6]P[6]H)(C[6a]C[6a]2)2	H(B[6]B[6]P[6]P)	104.2000	0.000	1	104.2000	0.000	1	104.2000	0.000	1	104.2000	0.000	1	104.2000	0.000	1	104.2000	0.000	1
874	948	951	0:SP3_SP-NON_SP-NON	B[6]	H[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:H[6]-2:H-1:H-1:	B[6]-4:B[6]-4:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	H(B[6]C[6,6a]H[6]H)	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2{1|H<1>,1|N<4>,2|C<3>}	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	H(B[6]C[6,6a]H[6]H)	101.6230	8.464	2	101.6230	71.640	2	100.8151	19.631	6	100.8151	19.631	6	100.9410	24.335	9	100.9410	24.335	9
874	948	951	0:SP3_SP-NON_SP-NON	B[6]	H[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:H[6]-2:H-1:H-1:	B[6]-4:B[6]-4:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	H(B[6]C[6,6a]H[6]H)	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2{1|H<1>,1|N<4>,2|C<3>}	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	H(B[6]C[6,6a]H[6]H)	100.4112	2.861	4	100.4112	8.185	4	100.8151	19.631	6	100.8151	19.631	6	100.9410	24.335	9	100.9410	24.335	9
874	948	951	0:SP3_SP-NON_SP-NON	B[6]	H[6]	H	4:3:2:1:	4:4:	4:	N[6,6]-4:C[6a]-3:H[6]-2:H-1:	B[6]-4:B[6]-4:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H)	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	H(B[6]N[6,6]C[6a]H[6])	B[6](N[6,6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H[6]B[6])(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	H[6](B[6]N[6,6]C[6a]H)(B[6]C[6,6a]HH)	H(B[6]N[6,6]C[6a]H[6])	97.2182	1.207	2	97.2182	1.456	2	97.2182	1.456	2	101.1928	48.120	3	100.9410	24.335	9	100.9410	24.335	9
874	948	951	0:SP3_SP-NON_SP-NON	B[6]	H[6]	H	4:3:2:1:	4:4:	4:	N[6]-4:C[6a]-3:H[6]-2:H-1:	B[6]-4:B[6]-4:	B[6]-4:	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H)	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	H(B[6]C[6a]H[6]N[6])	B[6](N[6]C[6,6a]CC)(C[6a]C[6a]2)(H[6]B[6])(H){1|H<1>,1|N<3>,4|C<3>}	H[6](B[6]C[6a]N[6]H)(B[6]C[6,6a]HH)	H(B[6]C[6a]H[6]N[6])	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	101.1928	48.120	3	100.9410	24.335	9	100.9410	24.335	9
874	951	951	0:SP3_SP-NON_SP-NON	B[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	B[6,6]-4:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(H)2	H(B[6,6]C[6,6]2H)	H(B[6,6]C[6,6]2H)	B[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(B[6,6]C[6,6]2H)	H(B[6,6]C[6,6]2H)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	109.6040	2.909	2	109.6040	2.909	2	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6,6]	H	H	4:4:1:1:	4:	4:	Si[4,6,6]-4:Si[4,6,6]-4:H-1:H-1:	B[6,6]-4:	B[6,6]-4:	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(H)2	H(B[6,6]Si[4,6,6]2H)	H(B[6,6]Si[4,6,6]2H)	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(H)2{2|C<3>,4|C<4>,6|B<6>}	H(B[6,6]Si[4,6,6]2H)	H(B[6,6]Si[4,6,6]2H)	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	109.6040	2.909	2	109.6040	2.909	2	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:H[6]-2:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2	H(B[6]C[6,6a]H[6]H)	H(B[6]C[6,6a]H[6]H)	B[6](C[6,6a]C[6,6a]C[6a])(H[6]B[6])(H)2{1|H<1>,1|N<4>,2|C<3>}	H(B[6]C[6,6a]H[6]H)	H(B[6]C[6,6a]H[6]H)	113.5413	0.737	3	113.5413	0.544	3	113.5413	0.544	3	113.5413	0.544	3	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(B[6]C[6,6a]2H)	H(B[6]C[6,6a]2H)	B[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<4>,2|H<1>,4|C<3>}	H(B[6]C[6,6a]2H)	H(B[6]C[6,6a]2H)	105.0810	0.727	2	105.0810	0.528	2	105.0810	0.528	2	112.9401	30.761	7	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(H)2	H(B[6]N[5,6]2H)	H(B[6]N[5,6]2H)	B[6](N[5,6]N[5,6]C[5])2(H)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	H(B[6]N[5,6]2H)	H(B[6]N[5,6]2H)	116.6190	0.000	1	116.0097	0.405	3	116.0097	0.405	3	112.9401	30.761	7	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(H)2	H(B[6]N[5,6]2H)	H(B[6]N[5,6]2H)	B[6](N[5,6]N[5,6]C[5])2(H)2{1|B<4>,2|H<1>,4|C<3>}	H(B[6]N[5,6]2H)	H(B[6]N[5,6]2H)	115.7050	0.503	2	116.0097	0.405	3	116.0097	0.405	3	112.9401	30.761	7	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]N[6])2(H)2	H(B[6]N[6]2H)	H(B[6]N[6]2H)	B[6](N[6]C[6a]N[6])2(H)2{5|C<3>}	H(B[6]N[6]2H)	H(B[6]N[6]2H)	118.4580	0.000	1	118.4580	0.000	1	116.1950	10.242	2	112.9401	30.761	7	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6a]P[6])2(H)2	H(B[6]N[6]2H)	H(B[6]N[6]2H)	B[6](N[6]C[6a]P[6])2(H)2{9|C<3>}	H(B[6]N[6]2H)	H(B[6]N[6]2H)	113.9320	0.000	1	113.9320	0.000	1	116.1950	10.242	2	112.9401	30.761	7	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:N[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2	H(B[6]C[5,6]N[6]H)	H(B[6]C[5,6]N[6]H)	B[6](C[5,6]N[5,6]N[5])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(B[6]C[5,6]N[6]H)	H(B[6]C[5,6]N[6]H)	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.7990	1.003	2	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:N[5,6]-3:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2	H(B[6]N[5,6]2H)	H(B[6]N[5,6]2H)	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2{1|N<3>,1|N<4>,2|H<1>,2|O<2>,4|C<4>}	H(B[6]N[5,6]2H)	H(B[6]N[5,6]2H)	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	107.7990	1.003	2	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	111.4690	0.000	1	111.4690	0.000	1	110.6393	0.568	3	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	110.4530	0.000	1	110.4530	0.000	1	110.6393	0.568	3	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|B<4>,4|H<1>}	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	109.9960	0.000	1	109.9960	0.000	1	110.6393	0.568	3	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2{2|Si<4>,1|B<4>,2|H<1>}	H(B[6]C[6]N[6]H)	H(B[6]C[6]N[6]H)	110.6200	0.841	2	110.6200	0.708	2	110.6200	0.708	2	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:N[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](N[6]C[6,6a]CC)2(H)2	H(B[6]N[6]2H)	H(B[6]N[6]2H)	B[6](N[6]C[6,6a]CC)2(H)2{3|C<3>}	H(B[6]N[6]2H)	H(B[6]N[6]2H)	116.4055	4.171	4	116.4055	17.396	4	116.4055	17.396	4	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	H(B[6]C[6]P[6]H)	H(B[6]C[6]P[6]H)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|B<4>,2|H<1>,6|C<3>}	H(B[6]C[6]P[6]H)	H(B[6]C[6]P[6]H)	109.8690	0.000	1	109.8690	0.000	1	107.3695	11.608	4	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2	H(B[6]C[6]P[6]H)	H(B[6]C[6]P[6]H)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2{1|B<4>,1|H<1>,1|P<4>,6|C<3>}	H(B[6]C[6]P[6]H)	H(B[6]C[6]P[6]H)	106.5363	3.640	3	106.5363	13.248	3	107.3695	11.608	4	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](P[6]C[6,6a]BH)(P[6]C[6,6a]CC)(H)2	H(B[6]P[6]2H)	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]BH)(P[6]C[6,6a]CC)(H)2{3|C<3>}	H(B[6]P[6]2H)	H(B[6]P[6]2H)	108.2850	0.008	2	108.2850	0.000	2	110.7699	11.802	8	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](P[6]C[6,6a]C[5]B)(P[6]C[6,6a]CC)(H)2	H(B[6]P[6]2H)	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]C[5]B)(P[6]C[6,6a]CC)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(B[6]P[6]2H)	H(B[6]P[6]2H)	108.3925	0.371	2	108.3925	0.138	2	110.7699	11.802	8	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](P[6]C[6,6a]C[6a]2)2(H)2	H(B[6]P[6]2H)	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]C[6a]2)2(H)2{11|C<3>}	H(B[6]P[6]2H)	H(B[6]P[6]2H)	115.1890	0.000	1	115.1890	0.000	1	110.7699	11.802	8	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](P[6]C[6,6a]C[6a]B)(P[6]C[6,6a]CC)(H)2	H(B[6]P[6]2H)	H(B[6]P[6]2H)	B[6](P[6]C[6,6a]C[6a]B)(P[6]C[6,6a]CC)(H)2{5|C<3>}	H(B[6]P[6]2H)	H(B[6]P[6]2H)	108.3530	0.000	1	108.3530	0.000	1	110.7699	11.802	8	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	951	0:SP3_SP-NON_SP-NON	B[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	B[6]-4:	B[6]-4:	B[6](P[6]C[6a]2C[6])2(H)2	H(B[6]P[6]2H)	H(B[6]P[6]2H)	B[6](P[6]C[6a]2C[6])2(H)2{1|C<4>,4|H<1>,8|C<3>}	H(B[6]P[6]2H)	H(B[6]P[6]2H)	114.6310	1.906	2	114.6310	3.634	2	110.7699	11.802	8	111.1627	17.081	21	111.4689	17.963	34	111.3653	17.207	36
874	951	956	0:SP3_SP-NON_SP2	B[6]	H	N	3:4:3:1:	4:	4:4:4:	C[5,6]-3:C[6]-4:N-3:H-1:	B[6]-4:	B[6]-4:C-4:C-4:	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H)	H(B[6]C[5,6]C[6]N)	N(B[6]C[5,6]C[6]H)(CCCH)2	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H){5|C<3>}	H(B[6]C[5,6]C[6]N)	N(B[6]C[5,6]C[6]H)(CCCH)2	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1
874	951	992	0:SP3_SP-NON_SP3	B[6,6]	H	P	4:4:4:1:	4:	4:4:4:4:	C[6,6]-4:C[6,6]-4:P-4:H-1:	B[6,6]-4:	B[6,6]-4:C-4:C-4:C-4:	B[6,6](C[6,6]C[6]2H)2(PC3)(H)	H(B[6,6]C[6,6]2P)	P(B[6,6]C[6,6]2H)(CH3)3	B[6,6](C[6,6]C[6]2H)2(PC3)(H){2|C<4>,8|H<1>}	H(B[6,6]C[6,6]2P)	P(B[6,6]C[6,6]2H)(CH3)3	95.5353	0.000	1	95.5353	0.000	1	95.5353	0.000	1	95.5353	0.000	1	95.5353	0.000	1	96.8815	3.624	2
874	951	992	0:SP3_SP-NON_SP3	B[6]	H	P	4:4:4:1:	4:	4:4:4:4:	B[6]-4:P[6]-4:P-4:H-1:	B[6]-4:	B[6]-4:C-4:C-4:C-4:	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H)	H(B[6]B[6]P[6]P)	P(B[6]B[6]P[6]H)(CH3)3	B[6](B[6]C[6,6a]BrP)(P[6]C[6]3)(PC3)(H){2|C<3>,4|C<4>,4|H<1>}	H(B[6]B[6]P[6]P)	P(B[6]B[6]P[6]H)(CH3)3	98.2276	0.000	1	98.2276	0.000	1	98.2276	0.000	1	98.2276	0.000	1	98.2276	0.000	1	96.8815	3.624	2
874	951	996	0:SP3_SP-NON_SP3	B[6,6]	H	Si[4,6,6]	4:4:1:1:	4:	5:4:3:3:	Si[4,6,6]-4:Si[4,6,6]-4:H-1:H-1:	B[6,6]-4:	C[3x3,4,3x5,16x6]-5:B[6,6]-4:N[4]-3:N[4]-3:	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(H)2	H(B[6,6]Si[4,6,6]2H)	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]HH)(N[4]C[4]C)2	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(H)2{2|C<3>,4|C<4>,6|B<6>}	H(B[6,6]Si[4,6,6]2H)	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]HH)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,4|H<1>,5|B<6>}	110.5343	7.046	4	110.5343	49.640	4	110.5343	49.640	4	110.5343	49.640	4	110.5343	49.640	4	110.5343	49.640	4
874	951	999	0:SP3_SP-NON_SP3	B[6]	H	N[5,6]	4:3:1:1:	4:	4:4:4:4:	N[5,6]-4:N[5,6]-3:H-1:H-1:	B[6]-4:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2	H(B[6]N[5,6]2H)	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3)	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2{1|N<3>,1|N<4>,2|H<1>,2|O<2>,4|C<4>}	H(B[6]N[5,6]2H)	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	110.2645	0.012	2	110.2645	0.000	2	110.2645	0.000	2	110.2645	0.000	2	110.2645	0.000	2	110.2645	0.000	2
874	983	983	0:SP3_SP1_SP1	B[6]	C	C	3:3:2:2:	4:1:	4:1:	N[5a,6]-3:N[5,6]-3:C-2:C-2:	B[6]-4:N-1:	B[6]-4:N-1:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2	C(B[6]N[5a,6]N[5,6]C)(N)	C(B[6]N[5a,6]N[5,6]C)(N)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2{1|S<2>,6|C<3>}	C(B[6]N[5a,6]N[5,6]C)(N)	C(B[6]N[5a,6]N[5,6]C)(N)	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	114.5908	11.542	5	114.5908	11.542	5
874	983	983	0:SP3_SP1_SP1	B[6]	C	C	3:3:2:2:	4:2:	4:2:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	B[6]-4:C-2:	B[6]-4:C-2:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	C(B[6]N[5a,6]2C)(CC[6a])	C(B[6]N[5a,6]2C)(CC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{2|C<4>,5|C<3>}	C(B[6]N[5a,6]2C)(CC[6a])	C(B[6]N[5a,6]2C)(CC[6a])	113.4835	1.814	2	115.1200	9.679	3	115.6680	7.654	4	115.6680	7.654	4	114.5908	11.542	5	114.5908	11.542	5
874	983	983	0:SP3_SP1_SP1	B[6]	C	C	3:3:2:2:	4:2:	4:2:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	B[6]-4:C-2:	B[6]-4:C-2:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	C(B[6]N[5a,6]2C)(CC[6a])	C(B[6]N[5a,6]2C)(CC[6a])	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{7|C<3>}	C(B[6]N[5a,6]2C)(CC[6a])	C(B[6]N[5a,6]2C)(CC[6a])	118.3930	0.000	1	115.1200	9.679	3	115.6680	7.654	4	115.6680	7.654	4	114.5908	11.542	5	114.5908	11.542	5
874	983	983	0:SP3_SP1_SP1	B[6]	C	C	3:3:2:2:	4:2:	4:2:	N[5a,6]-3:N[5a,6]-3:C-2:C-2:	B[6]-4:C-2:	B[6]-4:C-2:	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2	C(B[6]N[5a,6]2C)(CSi)	C(B[6]N[5a,6]2C)(CSi)	B[6](N[5a,6]C[5a,6]C[5a])2(CC)2{1|N<2>,6|C<3>}	C(B[6]N[5a,6]2C)(CSi)	C(B[6]N[5a,6]2C)(CSi)	117.3120	0.000	1	117.3120	0.000	1	115.6680	7.654	4	115.6680	7.654	4	114.5908	11.542	5	114.5908	11.542	5
874	996	996	6:SP3_SP3_SP3	B[6,6]	Si[4,6,6]	Si[4,6,6]	4:4:1:1:	5:4:3:3:	5:4:3:3:	Si[4,6,6]-4:Si[4,6,6]-4:H-1:H-1:	C[3x3,4,3x5,16x6]-5:B[6,6]-4:N[4]-3:N[4]-3:	C[3x3,4,3x5,16x6]-5:B[6,6]-4:N[4]-3:N[4]-3:	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(H)2	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]HH)(N[4]C[4]C)2	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]HH)(N[4]C[4]C)2	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(H)2{2|C<3>,4|C<4>,6|B<6>}	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]HH)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,4|H<1>,5|B<6>}	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]HH)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,4|H<1>,5|B<6>}	102.7300	0.000	1	102.7300	0.000	1	102.7300	0.000	1	102.7300	0.000	1	102.7300	0.000	1	102.7300	0.000	1
875	490	490	0:SPD6_SP3_SP3	S[5,5]	C	C	3:3:3:3:4:4:	6:1:1:1:	6:1:1:1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C-4:C-4:	S[5,5]-6:H-1:H-1:H-1:	S[5,5]-6:H-1:H-1:H-1:	S[5,5](C[5,6a]C[5,6a]C[6a])4(CH3)2	C(S[5,5]C[5,6a]4C)(H)3	C(S[5,5]C[5,6a]4C)(H)3	S[5,5](C[5,6a]C[5,6a]C[6a])4(CH3)2{4|H<1>,8|C<3>}	C(S[5,5]C[5,6a]4C)(H)3	C(S[5,5]C[5,6a]4C)(H)3	89.9771	0.000	1	89.9771	0.000	1	89.9771	0.000	1	89.9771	0.000	1	89.9771	0.000	1	89.9771	0.000	1
875	490	727	0:SPD6_SP2_SP3	S[5,5]	C	C[5,6a]	3:3:3:3:4:4:	6:1:1:1:	3:6:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C-4:C-4:	S[5,5]-6:H-1:H-1:H-1:	C[5,6a]-3:S[5,5]-6:C[6a]-3:	S[5,5](C[5,6a]C[5,6a]C[6a])4(CH3)2	C(S[5,5]C[5,6a]4C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H)	S[5,5](C[5,6a]C[5,6a]C[6a])4(CH3)2{4|H<1>,8|C<3>}	C(S[5,5]C[5,6a]4C)(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.4152	43.854	4	113.4152	1923.150	4	113.4152	1923.150	4	113.4152	1923.150	4	113.4152	1923.150	4	113.4152	1923.150	4
875	727	727	5:SPD6_SP2_SP2	S[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:4:4:	3:6:3:	3:6:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:S[5,5]-6:C[6a]-3:	C[5,6a]-3:S[5,5]-6:C[6a]-3:	S[5,5](C[5,6a]C[5,6a]C[6a])4(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H)	S[5,5](C[5,6a]C[5,6a]C[6a])4(CH3)2{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.8325	43.072	4	109.8325	1855.201	4	109.8325	1855.201	4	109.8325	1855.201	4	109.8325	1855.201	4	109.8325	1855.201	4
876	466	983	0:SP-NON_SP1_SP3	H	C[6]	C	4:2:	4:4:2:1:	2:1:	C[6]-4:C-2:	C[6]-4:C[6]-4:H-2:H-1:	H-2:H-1:	H(C[6]C[6]2H)(CH)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H)	C(HC[6])(H)	H(C[6]C[6]2H)(CH)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H){1|C<4>,1|H<1>,1|N<4>}	C(HC[6])(H)	148.3190	0.000	1	148.3190	0.000	1	148.3190	0.000	1	148.3190	0.000	1	148.3190	0.000	1	148.3190	0.000	1
876	490	876	0:SP-NON_SP-NON_SP3	H	C	H	4:2:	2:2:1:1:	4:2:	C-4:H-2:	O-2:H-2:H-1:H-1:	C-4:H-2:	H(CHHO)(HC)	C(OC[6a])(HH)(H)2	H(CHHO)(HC)	H(CHHO)(HC)	C(OC[6a])(HH)(H)2	H(CHHO)(HC)	174.0840	0.000	1	174.0840	0.000	1	174.0840	0.000	1	174.0840	0.000	1	159.7325	411.931	2	159.7325	411.931	2
876	490	876	0:SP-NON_SP-NON_SP3	H	C	H	4:2:	3:2:1:1:	3:2:	C-4:H-2:	C-3:H-2:H-1:H-1:	N-3:H-2:	H(CCHH)(HN)	C(CC[6a]N)(HH)(H)2	H(NHN)(HC)	H(CCHH)(HN)	C(CC[6a]N)(HH)(H)2	H(NHN)(HC)	145.3810	0.000	1	145.3810	0.000	1	145.3810	0.000	1	145.3810	0.000	1	159.7325	411.931	2	159.7325	411.931	2
876	490	900	0:SP-NON_SP-NON_SP3	H	C	Cl	4:2:	4:2:1:1:	4:2:	C-4:Cl-2:	C-4:H-2:H-1:H-1:	C-4:H-2:	H(CCHH)(ClC)	C(CC[5a]HH)(HCl)(H)2	Cl(CCl2H)(HC)	H(CCHH)(ClC)	C(CC[5a]HH)(HCl)(H)2	Cl(CCl2H)(HC)	146.8610	0.000	1	146.8610	0.000	1	146.8610	0.000	1	146.8610	0.000	1	146.8610	0.000	1	146.8610	0.000	1
876	610	880	0:SP-NON_SP3_SP3	H	B	Si	4:4:	6:3:2:1:	4:4:4:2:	B-4:Si-4:	C[5x3,5x5,20x6]-6:C[5]-3:H-2:H-1:	C-4:C-4:C-4:H-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)	Si(CCHH)3(HB)	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)	Si(CCHH)3(HB)	126.3440	0.000	1	126.3440	0.000	1	126.3440	0.000	1	126.3440	0.000	1	126.3440	0.000	1	126.3440	0.000	1
876	762	863	0:SP-NON_SP2_SP2	H	C[6]	O	3:1:	3:3:2:	2:	C[6]-3:O-1:	C[6]-3:C[6]-3:H-2:	H-2:	H(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(HO)	O(HC[6])	H(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(HO){1|Ru<6>,2|C<3>}	O(HC[6])	177.0530	0.000	1	177.0530	0.000	1	177.0530	0.000	1	177.0530	0.000	1	177.0530	0.000	1	177.0530	0.000	1
876	818	863	0:SP-NON_SP2_SP2	H	C[5]	O	3:1:	3:3:2:	2:	C[5]-3:O-1:	C[5]-3:N[5]-3:H-2:	H-2:	H(C[5]C[5]N[5])(O)	C[5](C[5]N[5,6]Pd)(N[5]C[5,6]Pd)(HO)	O(HC[5])	H(C[5]C[5]N[5])(O)	C[5](C[5]N[5,6]Pd)(N[5]C[5,6]Pd)(HO){2|C<3>}	O(HC[5])	160.0893	13.064	3	160.0893	170.668	3	160.0893	170.668	3	160.0893	170.668	3	160.0893	170.668	3	160.0893	170.668	3
876	863	863	0:SP-NON_SP2_SP2	H	O	O	1:1:	2:	2:	O-1:O-1:	H-2:	H-2:	H(O)2	O(HO)	O(HO)	H(O)2	O(HO)	O(HO)	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1
876	863	871	0:SP-NON_SP2_SP3	H	O	O	3:1:	2:	2:1:1:	O-3:O-1:	H-2:	H-2:H-1:H-1:	H(OHH)(O)	O(HO)	O(HO)(H)2	H(OHH)(O)	O(HO)	O(HO)(H)2	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1
876	863	901	0:SP-NON_SP1_SP2	H	O	N	1:1:	2:	2:	N-1:O-1:	H-2:	H-2:	H(N)(O)	O(HN)	N(HO)	H(N)(O)	O(HN)	N(HO)	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1
876	863	930	0:SP-NON_SP2_SP2	H	O	C	3:1:	2:	2:1:1:	C-3:O-1:	H-2:	H-2:H-1:H-1:	H(CHH)(O)	O(HC)	C(HO)(H)2	H(CHH)(O)	O(HC)	C(HO)(H)2	135.4340	0.000	1	135.4340	0.000	1	135.4340	0.000	1	135.4340	0.000	1	135.4340	0.000	1	135.4340	0.000	1
876	863	951	0:SP-NON_SP-NON_SP2	H	O	H	1:1:	2:	2:	H-1:O-1:	H-2:	H-2:	H(H)(O)	O(HH)	H(HO)	H(H)(O)	O(HH)	H(HO)	49.3098	0.000	1	49.3098	0.000	1	49.3098	0.000	1	49.3098	0.000	1	49.3098	0.000	1	49.3098	0.000	1
876	863	967	0:SP-NON_SP2_SP3	H	O	O	4:1:	2:	4:2:1:1:	O-4:O-1:	H-2:	O-4:H-2:H-1:H-1:	H(OHHO)(O)	O(HO)	O(OH3)(HO)(H)2	H(OHHO)(O)	O(HO)	O(OH3)(HO)(H)2	139.8830	0.000	1	139.8830	0.000	1	139.8830	0.000	1	139.8830	0.000	1	139.8830	0.000	1	139.8830	0.000	1
876	871	876	0:SP-NON_SP-NON_SP3	H	O	H	3:2:	4:2:1:	3:2:	O-3:H-2:	C[5]-4:H-2:H-1:	O-3:H-2:	H(OC[5]H)(HO)	O(C[5]C[5,5]C[5]C)(HH)(H)	H(OC[5]H)(HO)	H(OC[5]H)(HO)	O(C[5]C[5,5]C[5]C)(HH)(H)	H(OC[5]H)(HO)	179.8610	0.000	1	179.8610	0.000	1	179.8610	0.000	1	179.8610	0.000	1	179.8610	0.000	1	179.8610	0.000	1
876	871	893	0:SP-NON_SP3_SP3	H	O	O	3:2:	2:1:1:	2:1:	O-3:O-2:	H-2:H-1:H-1:	H-2:H-1:	H(OHH)(OH)	O(HO)(H)2	O(HO)(H)	H(OHH)(OH)	O(HO)(H)2	O(HO)(H)	122.2990	0.000	1	122.2990	0.000	1	122.2990	0.000	1	122.2990	0.000	1	117.5110	45.850	2	117.5110	45.850	2
876	871	893	0:SP-NON_SP3_SP3	H	O	O	3:2:	4:3:2:	2:1:	O-3:O-2:	C-4:C-3:H-2:	H-2:H-1:	H(OCC)(OH)	O(CCHH)(CCO)(HO)	O(HO)(H)	H(OCC)(OH)	O(CCHH)(CCO)(HO)	O(HO)(H)	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	117.5110	45.850	2	117.5110	45.850	2
876	874	874	0:SP-NON_SP3_SP3	H	B[6]	B[6]	4:4:	3:3:3:2:	3:3:3:2:	B[6]-4:B[6]-4:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:H-2:	H(B[6]N[5a,6]2C[6a])2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6])	H(B[6]N[5a,6]2C[6a])2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(HB[6]){2|H<1>,9|C<3>}	134.0580	0.000	1	134.0580	0.000	1	134.0580	0.000	1	134.0580	0.000	1	134.0580	0.000	1	134.0580	0.000	1
876	876	893	0:SP-NON_SP-NON_SP2	H	H	O	2:2:	2:2:	3:2:	H-2:O-2:	H-2:O-2:	C-3:H-2:	H(HO)(OC)	H(HO)(OC)	O(CC[3x4,3x6]O)(HH)	H(HO)(OC)	H(HO)(OC)	O(CC[3x4,3x6]O)(HH)	179.8167	0.143	4	179.8167	0.020	4	179.8167	0.020	4	179.8167	0.020	4	179.8167	0.020	4	179.8167	0.020	4
876	876	893	0:SP-NON_SP-NON_SP3	H	H	O	2:2:	2:2:	2:1:	H-2:O-2:	H-2:O-2:	H-2:H-1:	H(HO)(OH)	H(HO)(OH)	O(HH)(H)	H(HO)(OH)	H(HO)(OH)	O(HH)(H)	152.3180	13.861	2	152.3180	192.119	2	152.3180	192.119	2	152.3180	192.119	2	147.4393	167.464	3	147.4393	167.464	3
876	876	893	0:SP-NON_SP-NON_SP3	H	H	O	2:2:	2:2:	4:2:	O-2:H-2:	O-2:H-2:	Se-4:H-2:	H(OSe)(HO)	H(OSe)(HO)	O(SeO3)(HH)	H(OSe)(HO)	H(OSe)(HO)	O(SeO3)(HH)	137.6820	0.000	1	137.6820	0.000	1	137.6820	0.000	1	137.6820	0.000	1	147.4393	167.464	3	147.4393	167.464	3
876	876	956	0:SP-NON_SP-NON_SP2	H	H	N	3:2:	4:2:	2:2:1:	N-3:H-2:	C-4:H-2:	H-2:N-2:H-1:	H(NHN)(HC)	H(CCHH)(HN)	N(HH)(NC)(H)	H(NHN)(HC)	H(CCHH)(HN)	N(HH)(NC)(H)	139.2290	0.000	1	139.2290	0.000	1	139.2290	0.000	1	139.2290	0.000	1	139.2290	0.000	1	139.2290	0.000	1
876	892	951	0:SP-NON_SP-NON_SP3	H	N	H	4:1:	4:2:1:1:	2:	N-4:H-1:	C-4:H-2:H-1:H-1:	H-2:	H(NCHH)(H)	N(CC[6a]HH)(HH)(H)2	H(HN)	H(NCHH)(H)	N(CC[6a]HH)(HH)(H)2	H(HN)	9.3872	0.000	1	9.3872	0.000	1	9.3872	0.000	1	9.3872	0.000	1	9.3872	0.000	1	9.3872	0.000	1
876	893	893	0:SP-NON_SP2_SP2	H	O	O	2:2:	3:2:	3:2:	O-2:O-2:	C-3:H-2:	C-3:H-2:	H(OC)2	O(CC[6a]O)(HO)	O(CC[6a]O)(HO)	H(OC)2	O(CC[6a]O)(HO)	O(CC[6a]O)(HO)	175.4331	3.247	8	175.4331	10.546	8	175.4331	10.546	8	175.2892	9.072	10	175.2892	9.072	10	175.2892	9.072	10
876	893	893	0:SP-NON_SP2_SP2	H	O	O	2:2:	3:2:	3:2:	O-2:O-2:	C[6,6]-3:H-2:	C[6,6]-3:H-2:	H(OC[6,6])2	O(C[6,6]C[3x6]C[6,6])(HO)	O(C[6,6]C[3x6]C[6,6])(HO)	H(OC[6,6])2	O(C[6,6]C[3x6]C[6,6])(HO)	O(C[6,6]C[3x6]C[6,6])(HO)	172.8430	0.000	1	172.8430	0.000	1	172.8430	0.000	1	175.2892	9.072	10	175.2892	9.072	10	175.2892	9.072	10
876	893	893	0:SP-NON_SP2_SP2	H	O	O	2:2:	3:2:	3:2:	O-2:O-2:	C[6]-3:H-2:	C-3:H-2:	H(OC[6])(OC)	O(C[6]C[6,6a]C[6,6])(HO)	O(CC[6a]O)(HO)	H(OC[6])(OC)	O(C[6]C[6,6a]C[6,6])(HO)	O(CC[6a]O)(HO)	176.5840	0.000	1	176.5840	0.000	1	176.5840	0.000	1	175.2892	9.072	10	175.2892	9.072	10	175.2892	9.072	10
876	893	893	0:SP-NON_SP3_SP3	H	O	O	2:2:	3:2:	3:2:	O-2:O-2:	N-3:H-2:	N-3:H-2:	H(ON)2	O(NC[5]Ni)(HO)	O(NC[5]Ni)(HO)	H(ON)2	O(NC[5]Ni)(HO)	O(NC[5]Ni)(HO)	176.8080	0.000	1	176.8080	0.000	1	176.8080	0.000	1	176.8080	0.000	1	140.5970	2622.473	2	140.5970	2622.473	2
876	893	893	0:SP-NON_SP3_SP3	H	O	O	2:2:	4:2:	2:2:	O-2:O-2:	P-4:H-2:	H-2:O-2:	H(OO)(OP)	O(PO3)(HO)	O(HO)(OP)	H(OO)(OP)	O(PO3)(HO)	O(HO)(OP)	104.3860	0.000	1	104.3860	0.000	1	104.3860	0.000	1	104.3860	0.000	1	140.5970	2622.473	2	140.5970	2622.473	2
876	893	951	0:SP-NON_SP-NON_SP3	H	O	H	2:1:	2:2:	2:	O-2:H-1:	H-2:H-2:	H-2:	H(OH)(H)	O(HH)2	H(HO)	H(OH)(H)	O(HH)2	H(HO)	57.4445	0.000	1	57.4445	0.000	1	57.4445	0.000	1	57.4445	0.000	1	57.4445	0.000	1	57.4445	0.000	1
876	930	983	0:SP-NON_SP1_SP2	H	C	C	2:3:	4:2:1:	4:2:	C-2:C-3:	C[6]-4:H-2:H-1:	C[3x4]-4:H-2:	H(CC[3x4])(CC[6]H)	C(C[6]C[6,6]C[6]C)(HC)(H)	C(C[3x4]C[4,4,6,6]C[4,4,6]H[4,4])(HC)	H(CC[3x4])(CC[6]H)	C(C[6]C[6,6]C[6]C)(HC)(H)	C(C[3x4]C[4,4,6,6]C[4,4,6]H[4,4])(HC)	27.4903	0.000	1	27.4903	0.000	1	27.4903	0.000	1	27.4903	0.000	1	27.4903	0.000	1	27.4903	0.000	1
877	74	74	4:SPD6_SP2_SP2	Si[3,3,4,5]	N[4]	N[4]	6:3:2:2:3:3:	6:3:4:	6:3:4:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:C[4]-3:C-4:	Si[3,3,4,5]-6:C[4]-3:C-4:	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3)	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3)	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3){1|C<4>,2|N<3>,5|C<3>}	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3){1|C<4>,2|N<3>,5|C<3>}	68.5647	0.000	1	68.5647	0.000	1	68.5647	0.000	1	68.5647	0.000	1	68.5647	0.000	1	68.5647	0.000	1
877	74	727	0:SPD6_SP2_SP2	Si[3,3,4,5]	N[4]	C[5,6a]	6:3:2:2:3:3:	6:3:4:	6:3:3:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:C[4]-3:C-4:	Si[3,3,4,5]-6:C[5,6a,6a]-3:C[6a]-3:	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3)	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3){1|C<4>,2|N<3>,5|C<3>}	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	107.2035	1.042	2	107.2035	1.085	2	107.2035	1.085	2	107.2035	1.085	2	107.2035	1.085	2	107.2035	1.085	2
877	74	877	4:SPD6_SP2_SPD6	Si[3,3,4,5]	N[4]	Si[3,3,4,5]	6:3:2:2:3:3:	6:3:4:	6:3:2:2:3:3:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:C[4]-3:C-4:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3)	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3){1|C<4>,2|N<3>,5|C<3>}	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	139.5775	0.459	2	139.5775	0.211	2	139.5775	0.211	2	139.5775	0.211	2	139.5775	0.211	2	139.5775	0.211	2
877	74	962	0:SPD6_SP2_SP3	Si[3,3,4,5]	N[4]	O[3]	6:3:2:2:3:3:	6:3:4:	6:6:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:C[4]-3:C-4:	Si[3,3,4,5]-6:Si[3,3,4,5]-6:	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3)	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3){1|C<4>,2|N<3>,5|C<3>}	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2{4|C<4>,5|C<3>}	122.8157	30.782	4	122.8157	947.535	4	122.8157	947.535	4	122.8157	947.535	4	122.8157	947.535	4	122.8157	947.535	4
877	727	877	5:SPD6_SP2_SPD6	Si[3,3,4,5]	C[5,6a]	Si[3,3,4,5]	6:3:2:2:3:3:	6:3:3:	6:3:2:2:3:3:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:C[5,6a,6a]-3:C[6a]-3:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	91.9042	0.000	1	91.9042	0.000	1	91.9042	0.000	1	91.9042	0.000	1	91.9042	0.000	1	91.9042	0.000	1
877	727	962	0:SPD6_SP2_SP3	Si[3,3,4,5]	C[5,6a]	O[3]	6:3:2:2:3:3:	6:3:3:	6:6:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:C[5,6a,6a]-3:C[6a]-3:	Si[3,3,4,5]-6:Si[3,3,4,5]-6:	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2{4|C<4>,5|C<3>}	102.5000	0.301	2	102.5000	0.091	2	102.5000	0.091	2	102.5000	0.091	2	102.5000	0.091	2	102.5000	0.091	2
877	877	962	3:SPD6_SP3_SPD6	Si[3,3,4,5]	Si[3,3,4,5]	O[3]	6:3:2:2:3:3:	6:3:2:2:3:3:	6:6:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:Si[3,3,4,5]-6:	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2{4|C<4>,5|C<3>}	44.1521	0.153	2	44.1521	0.024	2	44.1521	0.024	2	44.1521	0.024	2	44.1521	0.024	2	44.1521	0.024	2
877	962	962	3:SPD6_SP3_SP3	Si[3,3,4,5]	O[3]	O[3]	6:3:2:2:3:3:	6:6:	6:6:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:Si[3,3,4,5]-6:	Si[3,3,4,5]-6:Si[3,3,4,5]-6:	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2{4|C<4>,5|C<3>}	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2{4|C<4>,5|C<3>}	84.0385	0.000	1	84.0385	0.000	1	84.0385	0.000	1	84.0385	0.000	1	84.0385	0.000	1	84.0385	0.000	1
878	74	74	0:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:3:4:	3:4:3:	3:4:4:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:C[6a]-3:	C[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(C[6a]C[6a]2)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3){2|C<4>,4|C<3>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(C[6a]C[6a]2){2|Ga<4>,2|C<4>,5|C<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,6|C<3>}	110.3415	0.056	2	110.3415	0.003	2	110.3415	0.003	2	110.3415	0.003	2	106.3397	8.033	8	106.3397	8.033	8
878	74	74	0:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:3:4:	3:4:4:	3:4:4:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:Ga[4]-4:	C[4]-3:Ga[4]-4:C-4:	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3)	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3){2|C<3>,2|C<4>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,2|C<4>,4|C<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3){2|Ga<4>,3|C<3>}	106.9650	0.170	2	106.9650	0.029	2	106.9650	0.029	2	105.0058	2.705	6	106.3397	8.033	8	106.3397	8.033	8
878	74	74	0:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:3:4:	3:4:4:	3:4:4:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:Ga[4]-4:	C[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3){2|C<4>,4|C<3>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,6|C<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,6|C<3>}	103.6085	0.128	2	103.6085	0.016	2	104.0263	0.661	4	105.0058	2.705	6	106.3397	8.033	8	106.3397	8.033	8
878	74	74	0:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:3:4:	3:4:4:	3:4:4:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:Ga[4]-4:	C[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3){2|C<3>,2|C<4>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,2|C<4>,4|C<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,2|C<4>,4|C<3>}	104.4440	1.126	2	104.4440	1.267	2	104.0263	0.661	4	105.0058	2.705	6	106.3397	8.033	8	106.3397	8.033	8
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:1:1:	4:3:3:	4:3:3:	N[4]-3:N[4]-3:I-1:I-1:	Ga[4]-4:C[6a]-3:C[4]-3:	Ga[4]-4:C[6a]-3:C[4]-3:	Ga[4](N[4]C[6a]C[4])2(I)2	N[4](Ga[4]N[4]II)(C[6a]C[6a]2)(C[4]N[4]N)	N[4](Ga[4]N[4]II)(C[6a]C[6a]2)(C[4]N[4]N)	Ga[4](N[4]C[6a]C[4])2(I)2{1|N<3>,4|C<3>}	N[4](Ga[4]N[4]II)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	N[4](Ga[4]N[4]II)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	68.5785	0.000	1	68.5785	0.000	1	68.5785	0.000	1	68.5785	0.000	1	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:1:1:	4:4:3:	4:4:3:	N[4]-3:N[4]-3:I-1:I-1:	Ga[4]-4:C[6]-4:C[4]-3:	Ga[4]-4:C[6]-4:C[4]-3:	Ga[4](N[4]C[4]C[6])2(I)2	N[4](Ga[4]N[4]II)(C[6]C[6]2H)(C[4]N[4]C)	N[4](Ga[4]N[4]II)(C[6]C[6]2H)(C[4]N[4]C)	Ga[4](N[4]C[4]C[6])2(I)2{2|H<1>,5|C<4>}	N[4](Ga[4]N[4]II)(C[6]C[6]2H)(C[4]N[4]C){3|C<4>,4|H<1>}	N[4](Ga[4]N[4]II)(C[6]C[6]2H)(C[4]N[4]C){3|C<4>,4|H<1>}	68.0849	0.000	1	68.0849	0.000	1	68.0849	0.000	1	68.0849	0.000	1	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:1:1:	4:4:3:	4:4:4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	P[4]-4:Ga[4]-4:C[6a]-3:	P[4]-4:Ga[4]-4:C-4:	Ga[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(C[6a]C[6a]2)	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(CC3)	Ga[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2{4|C<3>}	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(C[6a]C[6a]2){3|C<4>,6|C<3>}	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(CC3){5|C<3>}	77.3011	0.000	1	77.3011	0.000	1	77.3011	0.000	1	77.3011	0.000	1	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:3:3:	4:4:2:	4:4:2:	C[6a]-3:C[6a]-3:N[4]-3:N[4]-3:	Ga[4]-4:Ga[4]-4:N-2:	Ga[4]-4:Ga[4]-4:N-2:	Ga[4](C[6a]C[6a]2)2(N[4]Ga[4]N)2	N[4](Ga[4]C[6a]2N[4])2(NN)	N[4](Ga[4]C[6a]2N[4])2(NN)	Ga[4](C[6a]C[6a]2)2(N[4]Ga[4]N)2{4|C<4>,6|C<3>}	N[4](Ga[4]C[6a]2N[4])2(NN){1|N<2>,8|C<3>}	N[4](Ga[4]C[6a]2N[4])2(NN){1|N<2>,8|C<3>}	76.7492	0.044	2	76.7492	0.002	2	76.7492	0.002	2	76.7492	0.002	2	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:3:4:	3:4:3:	3:4:4:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:C[6a]-3:	C[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(C[6a]C[6a]2)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3){2|C<4>,4|C<3>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(C[6a]C[6a]2){2|Ga<4>,2|C<4>,5|C<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,6|C<3>}	67.4062	0.011	2	67.4062	0.000	2	67.4062	0.000	2	67.4062	0.000	2	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:3:4:	3:4:4:	3:4:4:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:Ga[4]-4:	C[4]-3:Ga[4]-4:C-4:	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3)	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3){2|C<3>,2|C<4>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,2|C<4>,4|C<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3){2|Ga<4>,3|C<3>}	67.4181	0.107	2	67.4181	0.011	2	67.4181	0.011	2	67.4181	0.011	2	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:4:1:	4:3:3:	4:3:3:	N[4]-3:N[4]-3:Ga[4]-4:I-1:	Ga[4]-4:C[6a]-3:C[4]-3:	Ga[4]-4:C[6a]-3:C[4]-3:	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I)	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C)	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C)	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I){1|C<4>,7|C<3>}	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C){1|I<1>,2|C<4>,2|N<3>,3|C<3>}	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C){1|I<1>,2|C<4>,2|N<3>,3|C<3>}	66.4582	0.000	1	66.4582	0.000	1	66.4582	0.000	1	66.4582	0.000	1	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:4:4:	4:4:3:	4:4:3:	N[4]-3:N[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-3:	Ga[4]-4:Ga[4]-4:C-3:	Ga[4](N[4]Ga[4]C)2(CH3)2	N[4](Ga[4]N[4]CC)2(CC[6a]N)	N[4](Ga[4]N[4]CC)2(CC[6a]N)	Ga[4](N[4]Ga[4]C)2(CH3)2{2|C<4>}	N[4](Ga[4]N[4]CC)2(CC[6a]N){1|C<3>}	N[4](Ga[4]N[4]CC)2(CC[6a]N){1|C<3>}	81.9002	0.000	1	81.9002	0.000	1	81.9002	0.000	1	71.1395	87.024	3	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	3:3:4:4:	4:4:3:	4:4:3:	N[4]-3:N[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4]-4:C[6]-4:C[4]-3:	Ga[4]-4:C[6]-4:C[4]-3:	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2	N[4](Ga[4]Ga[4]2N[4])(C[6]C[6]2H)(C[4]N[4]C)	N[4](Ga[4]Ga[4]2N[4])(C[6]C[6]2H)(C[4]N[4]C)	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2{2|C<3>,2|H<1>,9|C<4>}	N[4](Ga[4]Ga[4]2N[4])(C[6]C[6]2H)(C[4]N[4]C){2|I<1>,3|C<4>,4|H<1>,4|N<3>}	N[4](Ga[4]Ga[4]2N[4])(C[6]C[6]2H)(C[4]N[4]C){2|I<1>,3|C<4>,4|H<1>,4|N<3>}	65.7592	0.599	2	65.7592	0.358	2	65.7592	0.358	2	71.1395	87.024	3	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	4:3:3:1:	4:4:3:	4:4:3:	Ga[4]-4:N[4]-3:N[4]-3:I-1:	Ga[4]-4:C[6]-4:C[4]-3:	Ga[4]-4:C[6]-4:C[4]-3:	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I)	N[4](Ga[4]Ga[4]N[4]I)(C[6]C[6]2H)(C[4]N[4]C)	N[4](Ga[4]Ga[4]N[4]I)(C[6]C[6]2H)(C[4]N[4]C)	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I){1|C<3>,1|I<1>,2|H<1>,2|N<3>,7|C<4>}	N[4](Ga[4]Ga[4]N[4]I)(C[6]C[6]2H)(C[4]N[4]C){1|Ga<4>,2|N<3>,3|C<4>,4|H<1>}	N[4](Ga[4]Ga[4]N[4]I)(C[6]C[6]2H)(C[4]N[4]C){1|Ga<4>,2|N<3>,3|C<4>,4|H<1>}	66.0136	0.447	4	66.0136	0.200	4	66.0136	0.200	4	66.0136	0.200	4	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP2_SP2	Ga[4]	N[4]	N[4]	4:3:3:3:	4:4:2:	4:4:2:	C[5]-4:N[4]-3:N[4]-3:N-3:	Ga[4]-4:Ga[4]-4:N-2:	Ga[4]-4:Ga[4]-4:N-2:	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2)	N[4](Ga[4]C[5]N[4]N)2(NN)	N[4](Ga[4]C[5]N[4]N)2(NN)	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2){1|N<3>,2|C<3>,3|C<4>}	N[4](Ga[4]C[5]N[4]N)2(NN){1|N<2>,2|C<4>,4|C<3>}	N[4](Ga[4]C[5]N[4]N)2(NN){1|N<2>,2|C<4>,4|C<3>}	75.5677	0.000	1	75.5677	0.000	1	75.5677	0.000	1	75.5677	0.000	1	69.8117	27.171	18	69.8117	27.171	18
878	74	74	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	3:3:3:1:	4:4:4:	4:4:4:	N[4]-3:N[4]-3:N-3:H-1:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](N[4]Ga[4]C)2(NSi2)(H)	N[4](Ga[4]N[4]HN)2(CCHH)	N[4](Ga[4]N[4]HN)2(CCHH)	Ga[4](N[4]Ga[4]C)2(NSi2)(H){1|H<1>,1|N<3>}	N[4](Ga[4]N[4]HN)2(CCHH){1|C<4>}	N[4](Ga[4]N[4]HN)2(CCHH){1|C<4>}	87.8976	0.000	1	87.8976	0.000	1	87.8976	0.000	1	87.8976	0.000	1	87.8976	0.000	1	87.8976	0.000	1
878	74	74	6:SP-NON_SP3_SP3	Ga[4,4,6]	N[4,4,6]	N[4,4,6]	3:3:4:4:	4:4:4:	4:4:4:	N[4,4,6]-3:N[4,4,6]-3:N[4,6,6]-4:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3){2|N<3>,2|N<4>,4|C<4>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C){4|Ga<4>,2|H<1>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C){4|Ga<4>,2|H<1>}	89.5155	0.000	1	89.5155	0.000	1	89.5155	0.000	1	89.5155	0.000	1	89.5155	0.000	1	100.6252	246.853	2
878	74	74	6:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,4,6]	N[4,6,6]	4:3:3:4:	4:4:4:	4:4:4:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-3:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3){2|N<3>,3|N<4>,5|C<4>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C){4|Ga<4>,2|H<1>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C){5|Ga<4>,4|H<1>}	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	100.6252	246.853	2
878	74	474	0:SP-NON_SP2_SP3	Ga[4]	N[4]	C[5]	4:3:3:3:	4:4:2:	4:3:3:4:	C[5]-4:N[4]-3:N[4]-3:N-3:	Ga[4]-4:Ga[4]-4:N-2:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2)	N[4](Ga[4]C[5]N[4]N)2(NN)	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3)	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2){1|N<3>,2|C<3>,3|C<4>}	N[4](Ga[4]C[5]N[4]N)2(NN){1|N<2>,2|C<4>,4|C<3>}	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>,2|N<2>}	108.2245	4.710	2	108.2245	22.184	2	108.2245	22.184	2	108.2245	22.184	2	108.2245	22.184	2	108.2245	22.184	2
878	74	490	0:SP-NON_SP2_SP3	Ga[4,6,6]	N[4,6]	C	4:4:3:4:	4:4:3:	4:1:1:1:	N[4,6,6]-4:N[4,6,6]-4:N[4,6]-3:C-4:	Ga[4,6]-4:Ga[4,6,6]-4:C[6]-3:	Ga[4,6,6]-4:H-1:H-1:H-1:	Ga[4,6,6](N[4,6,6]Ga[4,6,6]Ga[4,6]C[6a])2(N[4,6]Ga[4,6]C[6])(CH3)	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6])	C(Ga[4,6,6]N[4,6,6]2N[4,6])(H)3	Ga[4,6,6](N[4,6,6]Ga[4,6,6]Ga[4,6]C[6a])2(N[4,6]Ga[4,6]C[6])(CH3){1|N<4>,4|C<4>,4|N<3>,5|C<3>}	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6]){3|Ga<4>,7|C<3>}	C(Ga[4,6,6]N[4,6,6]2N[4,6])(H)3	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	118.2956	27.133	18
878	74	490	0:SP-NON_SP2_SP3	Ga[4,6]	N[4,6]	C	4:3:3:4:	4:4:3:	4:1:1:1:	N[4,6,6]-4:N[4,6]-3:N[6]-3:C-4:	Ga[4,6]-4:Ga[4,6,6]-4:C[6]-3:	Ga[4,6]-4:H-1:H-1:H-1:	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3)	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6])	C(Ga[4,6]N[4,6,6]N[4,6]N[6])(H)3	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3){2|C<4>,2|N<3>,2|N<4>,6|C<3>}	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6]){3|Ga<4>,7|C<3>}	C(Ga[4,6]N[4,6,6]N[4,6]N[6])(H)3	120.2940	0.000	1	120.2940	0.000	1	120.2940	0.000	1	120.2940	0.000	1	120.2940	0.000	1	118.2956	27.133	18
878	74	490	0:SP-NON_SP2_SP3	Ga[4]	N[4]	C	3:3:3:4:	3:4:3:	4:1:1:1:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:C[6a]-3:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(C[6a]C[6a]2)	C(Ga[4]N[4]3)(H)3	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3){2|C<4>,4|C<3>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(C[6a]C[6a]2){2|Ga<4>,2|C<4>,5|C<3>}	C(Ga[4]N[4]3)(H)3	116.5340	2.267	2	116.5340	5.139	2	116.5340	5.139	2	116.5340	5.139	2	118.5547	27.895	16	118.2956	27.133	18
878	74	490	0:SP-NON_SP2_SP3	Ga[4]	N[4]	C	3:3:3:4:	3:4:4:	4:1:1:1:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3)	C(Ga[4]N[4]3)(H)3	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3){2|C<3>,2|C<4>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3){2|Ga<4>,3|C<3>}	C(Ga[4]N[4]3)(H)3	117.8885	0.456	2	117.8885	0.208	2	117.8885	0.208	2	121.8176	7.951	10	118.5547	27.895	16	118.2956	27.133	18
878	74	490	0:SP-NON_SP2_SP3	Ga[4]	N[4]	C	3:3:3:4:	3:4:4:	4:1:1:1:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	C(Ga[4]N[4]3)(H)3	Ga[4](N[4]C[6a]C[4])(N[4]Ga[4]C[4])2(CH3){2|C<4>,4|C<3>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,6|C<3>}	C(Ga[4]N[4]3)(H)3	122.4805	3.105	4	122.4805	9.639	4	122.7999	4.679	8	121.8176	7.951	10	118.5547	27.895	16	118.2956	27.133	18
878	74	490	0:SP-NON_SP2_SP3	Ga[4]	N[4]	C	3:3:3:4:	3:4:4:	4:1:1:1:	N[4]-3:N[4]-3:N[4]-3:C-4:	C[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2	C(Ga[4]N[4]3)(H)3	Ga[4](N[4]Ga[4]C[4])2(N[4]C[4]C)(CH3){2|C<3>,2|C<4>,4|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)2{2|Ga<4>,2|C<4>,4|C<3>}	C(Ga[4]N[4]3)(H)3	123.1192	1.004	4	123.1192	1.008	4	122.7999	4.679	8	121.8176	7.951	10	118.5547	27.895	16	118.2956	27.133	18
878	74	490	0:SP-NON_SP2_SP3	Ga[4]	N[4]	C	3:3:4:4:	4:4:3:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-3:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](N[4]Ga[4]C)2(CH3)2	N[4](Ga[4]N[4]CC)2(CC[6a]N)	C(Ga[4]N[4]2C)(H)3	Ga[4](N[4]Ga[4]C)2(CH3)2{2|C<4>}	N[4](Ga[4]N[4]CC)2(CC[6a]N){1|C<3>}	C(Ga[4]N[4]2C)(H)3	111.4080	2.757	4	111.4080	7.600	4	111.4080	7.600	4	111.4080	7.600	4	118.5547	27.895	16	118.2956	27.133	18
878	74	490	0:SP-NON_SP3_SP3	Ga[4,4,6]	N[4,4,6]	C	3:3:4:4:	4:4:4:	4:4:4:4:	N[4,4,6]-3:N[4,4,6]-3:N[4,6,6]-4:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:	Ga[4,4,6]-4:C-4:C-4:C-4:	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3){2|N<3>,2|N<4>,4|C<4>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C){4|Ga<4>,2|H<1>}	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	120.5745	1.503	2	120.5745	2.258	2	120.5745	2.258	2	120.5745	2.258	2	120.5745	2.258	2	117.6272	13.019	6
878	74	490	0:SP-NON_SP3_SP3	Ga[4,4,6]	N[4,6,6]	C	4:4:3:4:	4:4:4:	4:4:4:4:	N[4,4,6]-4:N[4,4,6]-4:N[4,6,6]-3:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:	Ga[4,4,6]-4:C-4:C-4:C-4:	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3){2|N<3>,2|N<4>,4|C<4>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C){5|Ga<4>,4|H<1>}	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	121.0280	0.000	1	121.0280	0.000	1	121.0280	0.000	1	121.0280	0.000	1	121.0280	0.000	1	117.6272	13.019	6
878	74	490	0:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,4,6]	C	4:3:3:4:	4:4:4:	4:4:4:4:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-3:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:	Ga[4,6,6]-4:C-4:C-4:C-4:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3){2|N<3>,3|N<4>,5|C<4>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C){4|Ga<4>,2|H<1>}	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	116.3400	0.000	1	116.3400	0.000	1	116.3400	0.000	1	116.3400	0.000	1	116.3400	0.000	1	117.6272	13.019	6
878	74	490	0:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,6,6]	C	4:3:3:4:	4:4:4:	4:4:4:4:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-3:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:	Ga[4,6,6]-4:C-4:C-4:C-4:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3){2|N<3>,3|N<4>,5|C<4>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C){5|Ga<4>,4|H<1>}	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	113.6230	0.176	2	117.6272	13.019	6
878	74	490	0:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,6,6]	C	4:3:4:4:	4:4:4:	4:4:4:4:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-4:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:	Ga[4,6,6]-4:C-4:C-4:C-4:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3){2|N<4>,3|N<3>,5|C<4>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C){5|Ga<4>,4|H<1>}	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	113.3260	0.000	1	113.3260	0.000	1	113.3260	0.000	1	113.3260	0.000	1	113.6230	0.176	2	117.6272	13.019	6
878	74	643	0:SP-NON_SP2_SP2	Ga[4]	N[4]	C[6a]	3:3:3:3:	4:4:2:	4:3:3:	C[6a]-3:C[6a]-3:N[4]-3:N[4]-3:	Ga[4]-4:Ga[4]-4:N-2:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4](C[6a]C[6a]2)2(N[4]Ga[4]N)2	N[4](Ga[4]C[6a]2N[4])2(NN)	C[6a](Ga[4]C[6a]N[4]2)(C[6a]C[6a]C)2	Ga[4](C[6a]C[6a]2)2(N[4]Ga[4]N)2{4|C<4>,6|C<3>}	N[4](Ga[4]C[6a]2N[4])2(NN){1|N<2>,8|C<3>}	C[6a](Ga[4]C[6a]N[4]2)(C[6a]C[6a]C)2{1|Ga<4>,2|H<1>,2|N<2>,3|C<3>}	109.6800	4.734	8	109.6800	22.410	8	109.6800	22.410	8	109.6800	22.410	8	109.6800	22.410	8	109.6800	22.410	8
878	74	790	0:SP-NON_SP-NON_SP2	Ga[4]	N[4]	Cl	3:3:1:1:	4:4:3:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	P[4]-4:Ga[4]-4:C[6a]-3:	Ga[4]-4:	Ga[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(C[6a]C[6a]2)	Cl(Ga[4]N[4]2Cl)	Ga[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2{4|C<3>}	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(C[6a]C[6a]2){3|C<4>,6|C<3>}	Cl(Ga[4]N[4]2Cl)	116.2490	2.268	2	116.2490	5.146	2	116.2490	5.146	2	116.2490	5.146	2	116.6825	1.996	4	116.6825	1.996	4
878	74	790	0:SP-NON_SP-NON_SP2	Ga[4]	N[4]	Cl	3:3:1:1:	4:4:4:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	P[4]-4:Ga[4]-4:C-4:	Ga[4]-4:	Ga[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(CC3)	Cl(Ga[4]N[4]2Cl)	Ga[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2{4|C<3>}	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(CC3){5|C<3>}	Cl(Ga[4]N[4]2Cl)	117.1160	0.303	2	117.1160	0.092	2	117.1160	0.092	2	117.1160	0.092	2	116.6825	1.996	4	116.6825	1.996	4
878	74	790	0:SP-NON_SP-NON_SP3	Ga[4]	N[4]	Cl	3:2:1:1:	4:4:4:	4:	N[4]-3:Cl[4]-2:Cl-1:Cl-1:	Ga[4]-4:Ga[4]-4:P[4]-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2	N[4](Ga[4]Cl[4]Cl2)2(P[4]N[4]2Cl)	Cl(Ga[4]Cl[4]N[4]Cl)	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2{3|Cl<1>,2|N<3>}	N[4](Ga[4]Cl[4]Cl2)2(P[4]N[4]2Cl){2|Si<4>,1|P<3>}	Cl(Ga[4]Cl[4]N[4]Cl)	116.5192	2.574	4	116.5192	6.623	4	116.5192	6.623	4	116.5192	6.623	4	116.5192	6.623	4	116.5192	6.623	4
878	74	856	6:SP-NON_SP2_SP2	Ga[4,6]	N[4,6]	N[6]	4:3:3:4:	4:4:3:	4:3:3:	N[4,6,6]-4:N[4,6]-3:N[6]-3:C-4:	Ga[4,6]-4:Ga[4,6,6]-4:C[6]-3:	Ga[4,6]-4:C[6]-3:C[6a]-3:	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3)	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6])	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2)	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3){2|C<4>,2|N<3>,2|N<4>,6|C<3>}	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6]){3|Ga<4>,7|C<3>}	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|H<1>,6|C<3>}	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1
878	74	878	0:SP-NON_SP-NON_SP2	Ga[4]	N[4]	Ga[4]	3:3:4:4:	4:4:3:	4:3:3:1:	N[4]-3:N[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4]-4:C[6]-4:C[4]-3:	Ga[4]-4:N[4]-3:N[4]-3:I-1:	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2	N[4](Ga[4]Ga[4]2N[4])(C[6]C[6]2H)(C[4]N[4]C)	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I)	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2{2|C<3>,2|H<1>,9|C<4>}	N[4](Ga[4]Ga[4]2N[4])(C[6]C[6]2H)(C[4]N[4]C){2|I<1>,3|C<4>,4|H<1>,4|N<3>}	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I){1|C<3>,1|I<1>,2|H<1>,2|N<3>,7|C<4>}	114.3519	0.798	8	114.3519	0.636	8	114.3519	0.636	8	114.3519	0.636	8	121.0936	50.483	16	121.0936	50.483	16
878	74	878	0:SP-NON_SP-NON_SP2	Ga[4]	N[4]	Ga[4]	4:3:3:1:	4:4:3:	3:3:4:4:	Ga[4]-4:N[4]-3:N[4]-3:I-1:	Ga[4]-4:C[6]-4:C[4]-3:	N[4]-3:N[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I)	N[4](Ga[4]Ga[4]N[4]I)(C[6]C[6]2H)(C[4]N[4]C)	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I){1|C<3>,1|I<1>,2|H<1>,2|N<3>,7|C<4>}	N[4](Ga[4]Ga[4]N[4]I)(C[6]C[6]2H)(C[4]N[4]C){1|Ga<4>,2|N<3>,3|C<4>,4|H<1>}	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2{2|C<3>,2|H<1>,9|C<4>}	127.8353	1.912	8	127.8353	3.655	8	127.8353	3.655	8	127.8353	3.655	8	121.0936	50.483	16	121.0936	50.483	16
878	74	878	4:SP-NON_SP-NON_SP2	Ga[4]	N[4]	Ga[4]	3:3:4:1:	4:3:3:	3:3:4:1:	N[4]-3:N[4]-3:Ga[4]-4:I-1:	Ga[4]-4:C[6a]-3:C[4]-3:	N[4]-3:N[4]-3:Ga[4]-4:I-1:	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I)	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C)	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I)	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I){1|C<4>,7|C<3>}	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C){1|I<1>,2|C<4>,2|N<3>,3|C<3>}	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I){1|C<4>,7|C<3>}	120.1445	1.032	2	120.1445	1.064	2	120.1445	1.064	2	120.1445	1.064	2	120.1445	1.064	2	120.1445	1.064	2
878	74	879	4:SP-NON_SP-NON_SP3	Ga[4]	N[4]	Cl[4]	3:2:1:1:	4:4:4:	4:4:	N[4]-3:Cl[4]-2:Cl-1:Cl-1:	Ga[4]-4:Ga[4]-4:P[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2	N[4](Ga[4]Cl[4]Cl2)2(P[4]N[4]2Cl)	Cl[4](Ga[4]N[4]Cl2)2	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2{3|Cl<1>,2|N<3>}	N[4](Ga[4]Cl[4]Cl2)2(P[4]N[4]2Cl){2|Si<4>,1|P<3>}	Cl[4](Ga[4]N[4]Cl2)2{1|P<4>}	87.6161	0.403	2	87.6161	0.163	2	87.6161	0.163	2	87.6161	0.163	2	87.6161	0.163	2	87.6161	0.163	2
878	74	944	0:SP-NON_SP-NON_SP2	Ga[4]	N[4]	I	3:3:1:1:	4:3:3:	4:	N[4]-3:N[4]-3:I-1:I-1:	Ga[4]-4:C[6a]-3:C[4]-3:	Ga[4]-4:	Ga[4](N[4]C[6a]C[4])2(I)2	N[4](Ga[4]N[4]II)(C[6a]C[6a]2)(C[4]N[4]N)	I(Ga[4]N[4]2I)	Ga[4](N[4]C[6a]C[4])2(I)2{1|N<3>,4|C<3>}	N[4](Ga[4]N[4]II)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	I(Ga[4]N[4]2I)	119.6855	5.865	2	119.6855	34.404	2	119.6855	34.404	2	119.6855	34.404	2	111.4756	34.594	16	111.4756	34.594	16
878	74	944	0:SP-NON_SP-NON_SP2	Ga[4]	N[4]	I	3:3:1:1:	4:4:3:	4:	N[4]-3:N[4]-3:I-1:I-1:	Ga[4]-4:C[6]-4:C[4]-3:	Ga[4]-4:	Ga[4](N[4]C[4]C[6])2(I)2	N[4](Ga[4]N[4]II)(C[6]C[6]2H)(C[4]N[4]C)	I(Ga[4]N[4]2I)	Ga[4](N[4]C[4]C[6])2(I)2{2|H<1>,5|C<4>}	N[4](Ga[4]N[4]II)(C[6]C[6]2H)(C[4]N[4]C){3|C<4>,4|H<1>}	I(Ga[4]N[4]2I)	117.6718	1.535	4	117.6718	2.357	4	117.6718	2.357	4	117.6718	2.357	4	111.4756	34.594	16	111.4756	34.594	16
878	74	944	0:SP-NON_SP-NON_SP2	Ga[4]	N[4]	I	3:3:4:1:	4:3:3:	4:	N[4]-3:N[4]-3:Ga[4]-4:I-1:	Ga[4]-4:C[6a]-3:C[4]-3:	Ga[4]-4:	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I)	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C)	I(Ga[4]Ga[4]N[4]2)	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I){1|C<4>,7|C<3>}	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C){1|I<1>,2|C<4>,2|N<3>,3|C<3>}	I(Ga[4]Ga[4]N[4]2)	108.6370	1.290	2	108.6370	1.663	2	108.6370	1.663	2	108.6370	1.663	2	111.4756	34.594	16	111.4756	34.594	16
878	74	944	0:SP-NON_SP-NON_SP2	Ga[4]	N[4]	I	4:3:3:1:	4:4:3:	4:	Ga[4]-4:N[4]-3:N[4]-3:I-1:	Ga[4]-4:C[6]-4:C[4]-3:	Ga[4]-4:	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I)	N[4](Ga[4]Ga[4]N[4]I)(C[6]C[6]2H)(C[4]N[4]C)	I(Ga[4]Ga[4]N[4]2)	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I){1|C<3>,1|I<1>,2|H<1>,2|N<3>,7|C<4>}	N[4](Ga[4]Ga[4]N[4]I)(C[6]C[6]2H)(C[4]N[4]C){1|Ga<4>,2|N<3>,3|C<4>,4|H<1>}	I(Ga[4]Ga[4]N[4]2)	107.0346	1.389	8	107.0346	1.929	8	107.0346	1.929	8	107.0346	1.929	8	111.4756	34.594	16	111.4756	34.594	16
878	74	951	0:SP-NON_SP-NON_SP3	Ga[4]	N[4]	H	3:3:3:1:	4:4:4:	4:	N[4]-3:N[4]-3:N-3:H-1:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]C)2(NSi2)(H)	N[4](Ga[4]N[4]HN)2(CCHH)	H(Ga[4]N[4]2N)	Ga[4](N[4]Ga[4]C)2(NSi2)(H){1|H<1>,1|N<3>}	N[4](Ga[4]N[4]HN)2(CCHH){1|C<4>}	H(Ga[4]N[4]2N)	108.2865	1.916	2	108.2865	3.669	2	108.2865	3.669	2	108.2865	3.669	2	108.2865	3.669	2	108.2865	3.669	2
878	74	956	0:SP-NON_SP2_SP3	Ga[4]	N[4]	N	4:3:3:3:	4:4:2:	4:4:4:	C[5]-4:N[4]-3:N[4]-3:N-3:	Ga[4]-4:Ga[4]-4:N-2:	Ga[4]-4:Si-4:Si-4:	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2)	N[4](Ga[4]C[5]N[4]N)2(NN)	N(Ga[4]C[5]N[4]2)(SiC3)2	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2){1|N<3>,2|C<3>,3|C<4>}	N[4](Ga[4]C[5]N[4]N)2(NN){1|N<2>,2|C<4>,4|C<3>}	N(Ga[4]C[5]N[4]2)(SiC3)2	112.2070	2.684	2	112.2070	7.205	2	112.2070	7.205	2	112.2070	7.205	2	112.2070	7.205	2	112.2070	7.205	2
878	74	956	0:SP-NON_SP3_SP3	Ga[4]	N[4]	N	3:3:3:1:	4:4:4:	4:4:4:	N[4]-3:N[4]-3:N-3:H-1:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4]-4:Si-4:Si-4:	Ga[4](N[4]Ga[4]C)2(NSi2)(H)	N[4](Ga[4]N[4]HN)2(CCHH)	N(Ga[4]N[4]2H)(SiC3)2	Ga[4](N[4]Ga[4]C)2(NSi2)(H){1|H<1>,1|N<3>}	N[4](Ga[4]N[4]HN)2(CCHH){1|C<4>}	N(Ga[4]N[4]2H)(SiC3)2	116.9530	4.148	2	116.9530	17.205	2	116.9530	17.205	2	116.9530	17.205	2	116.9530	17.205	2	116.9530	17.205	2
878	74	980	6:SP-NON_SP2_SP3	Ga[4,6,6]	N[4,6]	N[4,6,6]	4:4:3:4:	4:4:3:	4:4:4:3:	N[4,6,6]-4:N[4,6,6]-4:N[4,6]-3:C-4:	Ga[4,6]-4:Ga[4,6,6]-4:C[6]-3:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,6]-4:C[6a]-3:	Ga[4,6,6](N[4,6,6]Ga[4,6,6]Ga[4,6]C[6a])2(N[4,6]Ga[4,6]C[6])(CH3)	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6])	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2)	Ga[4,6,6](N[4,6,6]Ga[4,6,6]Ga[4,6]C[6a])2(N[4,6]Ga[4,6]C[6])(CH3){1|N<4>,4|C<4>,4|N<3>,5|C<3>}	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6]){3|Ga<4>,7|C<3>}	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2){3|Ga<4>,2|H<1>,7|C<3>}	96.5545	17.212	2	96.5545	296.245	2	96.5545	296.245	2	96.5545	296.245	2	96.5545	296.245	2	92.2340	204.120	3
878	74	980	6:SP-NON_SP2_SP3	Ga[4,6]	N[4,6]	N[4,6,6]	4:3:3:4:	4:4:3:	4:4:4:3:	N[4,6,6]-4:N[4,6]-3:N[6]-3:C-4:	Ga[4,6]-4:Ga[4,6,6]-4:C[6]-3:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,6]-4:C[6a]-3:	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3)	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6])	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2)	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3){2|C<4>,2|N<3>,2|N<4>,6|C<3>}	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6]){3|Ga<4>,7|C<3>}	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2){3|Ga<4>,2|H<1>,7|C<3>}	83.5932	0.000	1	83.5932	0.000	1	83.5932	0.000	1	83.5932	0.000	1	83.5932	0.000	1	92.2340	204.120	3
878	74	980	6:SP-NON_SP3_SP3	Ga[4,4,6]	N[4,4,6]	N[4,6,6]	3:3:4:4:	4:4:4:	4:4:4:1:	N[4,4,6]-3:N[4,4,6]-3:N[4,6,6]-4:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:H-1:	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H)	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3){2|N<3>,2|N<4>,4|C<4>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C){4|Ga<4>,2|H<1>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H){5|Ga<4>,1|H<1>}	98.4590	15.450	2	98.4590	238.709	2	98.4590	238.709	2	98.4590	238.709	2	98.4590	238.709	2	98.8571	130.506	8
878	74	980	6:SP-NON_SP3_SP3	Ga[4,4,6]	N[4,6,6]	N[4,4,6]	4:4:3:4:	4:4:4:	4:4:4:1:	N[4,4,6]-4:N[4,4,6]-4:N[4,6,6]-3:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:H-1:	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H)	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3){2|N<3>,2|N<4>,4|C<4>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C){5|Ga<4>,4|H<1>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H){4|Ga<4>,2|H<1>}	98.4629	15.308	2	98.4629	234.324	2	98.4629	234.324	2	98.4629	234.324	2	98.4629	234.324	2	98.8571	130.506	8
878	74	980	6:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,4,6]	N[4,6,6]	4:3:3:4:	4:4:4:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-3:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:H-1:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H)	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3){2|N<3>,3|N<4>,5|C<4>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C){4|Ga<4>,2|H<1>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H){5|Ga<4>,1|H<1>}	88.7984	0.000	1	88.7984	0.000	1	88.7984	0.000	1	88.7984	0.000	1	88.7984	0.000	1	98.8571	130.506	8
878	74	980	6:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,6,6]	N[4,4,6]	4:3:4:4:	4:4:4:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-4:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:H-1:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H)	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3){2|N<4>,3|N<3>,5|C<4>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C){5|Ga<4>,4|H<1>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H){4|Ga<4>,2|H<1>}	88.7527	0.000	1	88.7527	0.000	1	88.7527	0.000	1	88.7527	0.000	1	88.7527	0.000	1	98.8571	130.506	8
878	74	980	6:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,6,6]	N[4,6,6]	4:3:3:4:	4:4:4:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-3:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:H-1:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H)	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3){2|N<3>,3|N<4>,5|C<4>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C){5|Ga<4>,4|H<1>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H){5|Ga<4>,1|H<1>}	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.7310	0.118	2	98.8571	130.506	8
878	74	980	6:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,6,6]	N[4,6,6]	4:3:4:4:	4:4:4:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-4:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:H-1:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H)	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3){2|N<4>,3|N<3>,5|C<4>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C){5|Ga<4>,4|H<1>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H){5|Ga<4>,1|H<1>}	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.7310	0.118	2	98.8571	130.506	8
878	126	126	5:SP-NON_SP3_SP3	Ga[4,5]	S[4,5]	S[4,5]	3:3:2:4:	4:4:4:	4:4:4:	S[4,5]-3:S[4,5]-3:S[5]-2:C-4:	Ga[4,5]-4:Ga[4,5]-4:C[5]-4:	Ga[4,5]-4:Ga[4,5]-4:C[5]-4:	Ga[4,5](S[4,5]Ga[4,5]C[5])2(S[5]C[5])(CH3)	S[4,5](Ga[4,5]S[4,5]S[5]C)2(C[5]C[5]HH)	S[4,5](Ga[4,5]S[4,5]S[5]C)2(C[5]C[5]HH)	Ga[4,5](S[4,5]Ga[4,5]C[5])2(S[5]C[5])(CH3){1|S<2>,2|C<4>,6|H<1>}	S[4,5](Ga[4,5]S[4,5]S[5]C)2(C[5]C[5]HH){2|C<4>,2|H<1>}	S[4,5](Ga[4,5]S[4,5]S[5]C)2(C[5]C[5]HH){2|C<4>,2|H<1>}	93.9788	0.000	1	93.9788	0.000	1	93.9788	0.000	1	93.9788	0.000	1	93.9788	0.000	1	93.9788	0.000	1
878	126	490	0:SP-NON_SP3_SP3	Ga[4,5]	S[4,5]	C	3:3:2:4:	4:4:4:	4:1:1:1:	S[4,5]-3:S[4,5]-3:S[5]-2:C-4:	Ga[4,5]-4:Ga[4,5]-4:C[5]-4:	Ga[4,5]-4:H-1:H-1:H-1:	Ga[4,5](S[4,5]Ga[4,5]C[5])2(S[5]C[5])(CH3)	S[4,5](Ga[4,5]S[4,5]S[5]C)2(C[5]C[5]HH)	C(Ga[4,5]S[4,5]2S[5])(H)3	Ga[4,5](S[4,5]Ga[4,5]C[5])2(S[5]C[5])(CH3){1|S<2>,2|C<4>,6|H<1>}	S[4,5](Ga[4,5]S[4,5]S[5]C)2(C[5]C[5]HH){2|C<4>,2|H<1>}	C(Ga[4,5]S[4,5]2S[5])(H)3	116.2635	5.021	2	116.2635	25.212	2	116.2635	25.212	2	116.2635	25.212	2	116.2635	25.212	2	116.2635	25.212	2
878	126	891	5:SP-NON_SP3_SP3	Ga[4,5]	S[4,5]	S[5]	3:3:2:4:	4:4:4:	4:4:	S[4,5]-3:S[4,5]-3:S[5]-2:C-4:	Ga[4,5]-4:Ga[4,5]-4:C[5]-4:	Ga[4,5]-4:C[5]-4:	Ga[4,5](S[4,5]Ga[4,5]C[5])2(S[5]C[5])(CH3)	S[4,5](Ga[4,5]S[4,5]S[5]C)2(C[5]C[5]HH)	S[5](Ga[4,5]S[4,5]2C)(C[5]C[5]HH)	Ga[4,5](S[4,5]Ga[4,5]C[5])2(S[5]C[5])(CH3){1|S<2>,2|C<4>,6|H<1>}	S[4,5](Ga[4,5]S[4,5]S[5]C)2(C[5]C[5]HH){2|C<4>,2|H<1>}	S[5](Ga[4,5]S[4,5]2C)(C[5]C[5]HH){1|Ga<4>,1|C<4>,2|H<1>}	100.1196	7.070	2	100.1196	49.989	2	100.1196	49.989	2	100.1196	49.989	2	100.1196	49.989	2	100.1196	49.989	2
878	226	226	4:SP-NON_SP2_SP2	Ga[4]	O[4]	O[4]	2:2:4:4:	3:4:	3:4:	O[4]-2:O[4]-2:C-4:C-4:	C[4]-3:Ga[4]-4:	C[4]-3:Ga[4]-4:	Ga[4](O[4]C[4])2(CSi2H)2	O[4](C[4]C[6a]O[4])(Ga[4]O[4]CC)	O[4](C[4]C[6a]O[4])(Ga[4]O[4]CC)	Ga[4](O[4]C[4])2(CSi2H)2{1|C<3>}	O[4](C[4]C[6a]O[4])(Ga[4]O[4]CC){2|C<3>}	O[4](C[4]C[6a]O[4])(Ga[4]O[4]CC){2|C<3>}	64.5289	0.000	1	64.5289	0.000	1	64.5289	0.000	1	64.5289	0.000	1	64.5289	0.000	1	64.5289	0.000	1
878	226	490	0:SP-NON_SP2_SP3	Ga[4]	O[4]	C	2:2:4:4:	3:4:	4:4:4:1:	O[4]-2:O[4]-2:C-4:C-4:	C[4]-3:Ga[4]-4:	Ga[4]-4:Si-4:Si-4:H-1:	Ga[4](O[4]C[4])2(CSi2H)2	O[4](C[4]C[6a]O[4])(Ga[4]O[4]CC)	C(Ga[4]O[4]2C)(SiC3)2(H)	Ga[4](O[4]C[4])2(CSi2H)2{1|C<3>}	O[4](C[4]C[6a]O[4])(Ga[4]O[4]CC){2|C<3>}	C(Ga[4]O[4]2C)(SiC3)2(H)	110.3983	2.010	4	110.3983	4.041	4	110.3983	4.041	4	110.3983	4.041	4	110.3983	4.041	4	110.3983	4.041	4
878	234	790	0:SP-NON_SP-NON_SP3	Ga[4]	N[3,4]	Cl	4:4:1:1:	5:4:4:4:	4:	N[3,4]-4:N[4]-4:Cl-1:Cl-1:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	Ga[4]-4:	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	Cl(Ga[4]N[3,4]N[4]Cl)	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2{1|Cl<1>,1|C<3>,1|N<3>}	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	Cl(Ga[4]N[3,4]N[4]Cl)	117.5240	4.330	2	117.5240	18.752	2	117.5240	18.752	2	117.5240	18.752	2	117.5240	18.752	2	117.5240	18.752	2
878	234	980	4:SP-NON_SP3_SP3	Ga[4]	N[3,4]	N[4]	4:4:1:1:	5:4:4:4:	5:4:4:1:	N[3,4]-4:N[4]-4:Cl-1:Cl-1:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	Ga[3,3,4]-5:Ga[4]-4:C-4:H-1:	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H)	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2{1|Cl<1>,1|C<3>,1|N<3>}	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H){1|C<3>,2|C<4>}	91.0996	0.000	1	91.0996	0.000	1	91.0996	0.000	1	91.0996	0.000	1	91.0996	0.000	1	91.0996	0.000	1
878	466	790	0:SP-NON_SP-NON_SP3	Ga[4]	C[6]	Cl	4:2:2:1:	4:4:4:4:	4:	C[6]-4:Cl[4]-2:Cl[4]-2:Cl-1:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	Ga[4]-4:	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl)	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	Cl(Ga[4]Cl[4]2C[6])	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl){1|Br<2>,3|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	Cl(Ga[4]Cl[4]2C[6])	126.6140	0.000	1	126.6140	0.000	1	126.6140	0.000	1	126.6140	0.000	1	126.6140	0.000	1	126.6140	0.000	1
878	466	879	0:SP-NON_SP-NON_SP3	Ga[4]	C[6]	Cl[4]	4:2:2:1:	4:4:4:4:	4:4:	C[6]-4:Cl[4]-2:Cl[4]-2:Cl-1:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl)	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	Cl[4](Ga[4]Cl[4]C[6]Cl)2	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl){1|Br<2>,3|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	Cl[4](Ga[4]Cl[4]C[6]Cl)2{2|Ga<4>,2|Si<4>,2|C<4>}	113.1580	1.174	2	113.1580	1.378	2	113.1580	1.378	2	113.1580	1.378	2	113.1580	1.378	2	113.1580	1.378	2
878	474	474	0:SP-NON_SP3_SP3	Ga[4]	C[5]	C[5]	4:4:2:2:	4:3:3:4:	4:3:3:4:	C[5]-4:C[5]-4:Cl[4]-2:Cl[4]-2:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3)	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3)	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2{4|C<3>,6|C<4>}	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,3|C<4>}	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,3|C<4>}	129.4635	0.332	2	129.4635	0.110	2	129.4635	0.110	2	129.4635	0.110	2	129.4635	0.110	2	129.4635	0.110	2
878	474	643	0:SP-NON_SP2_SP3	Ga[4]	C[5]	C[6a]	3:4:2:2:	4:3:3:4:	4:3:3:	C[6a]-3:C[5]-4:Cl[4]-2:Cl[4]-2:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3)	C[6a](Ga[4]Cl[4]2C[5])(C[6a]C[6a]F)2	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2{2|F<1>,3|C<4>,5|C<3>}	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,2|C<4>}	C[6a](Ga[4]Cl[4]2C[5])(C[6a]C[6a]F)2{1|Ga<4>,1|C<4>,2|F<1>,3|C<3>}	125.6670	0.096	2	125.6670	0.009	2	125.6670	0.009	2	125.6670	0.009	2	125.6670	0.009	2	125.6670	0.009	2
878	474	790	0:SP-NON_SP-NON_SP3	Ga[4]	C[5]	Cl	4:2:2:1:	4:3:3:4:	4:	C[5]-4:Cl[4]-2:Cl[4]-2:Cl-1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4]-4:	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	Cl(Ga[4]Cl[4]2C[5])	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	Cl(Ga[4]Cl[4]2C[5])	122.7380	0.508	2	122.7380	0.258	2	122.7380	0.258	2	122.7380	0.258	2	122.7380	0.258	2	122.7380	0.258	2
878	474	879	0:SP-NON_SP-NON_SP3	Ga[4]	C[5]	Cl[4]	3:4:2:2:	4:3:3:4:	4:4:	C[6a]-3:C[5]-4:Cl[4]-2:Cl[4]-2:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3)	Cl[4](Ga[4]C[6a]Cl[4]C[5])2	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2{2|F<1>,3|C<4>,5|C<3>}	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,2|C<4>}	Cl[4](Ga[4]C[6a]Cl[4]C[5])2{2|C<4>,8|C<3>}	110.4445	0.334	4	110.4445	0.112	4	110.4445	0.112	4	110.4445	0.112	4	111.5181	22.581	16	111.5181	22.581	16
878	474	879	0:SP-NON_SP-NON_SP3	Ga[4]	C[5]	Cl[4]	4:2:2:1:	4:3:3:4:	4:4:	C[5]-4:Cl[4]-2:Cl[4]-2:Cl-1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	Cl[4](Ga[4]Cl[4]C[5]Cl)2	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	Cl[4](Ga[4]Cl[4]C[5]Cl)2{2|C<4>,4|C<3>}	118.3487	1.479	4	118.3487	2.187	4	118.3487	2.187	4	118.3487	2.187	4	111.5181	22.581	16	111.5181	22.581	16
878	474	879	0:SP-NON_SP-NON_SP3	Ga[4]	C[5]	Cl[4]	4:4:2:2:	4:3:3:4:	4:4:	C[5]-4:C[5]-4:Cl[4]-2:Cl[4]-2:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3)	Cl[4](Ga[4]Cl[4]C[5]2)2	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2{4|C<3>,6|C<4>}	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,3|C<4>}	Cl[4](Ga[4]Cl[4]C[5]2)2{4|C<4>,8|C<3>}	108.6396	3.258	8	108.6396	10.613	8	108.6396	10.613	8	108.6396	10.613	8	111.5181	22.581	16	111.5181	22.581	16
878	474	918	0:SP-NON_SP-NON_SP3	Ga[4]	C[5]	I[4]	4:2:2:1:	4:3:3:4:	4:4:	C[5]-4:I[4]-2:I[4]-2:I-1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	I[4](Ga[4]C[5]I[4]I)2	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	I[4](Ga[4]C[5]I[4]I)2{2|C<4>,4|C<3>}	116.3577	2.848	4	116.3577	8.109	4	116.3577	8.109	4	116.3577	8.109	4	116.3577	8.109	4	116.3577	8.109	4
878	474	944	0:SP-NON_SP-NON_SP3	Ga[4]	C[5]	I	4:2:2:1:	4:3:3:4:	4:	C[5]-4:I[4]-2:I[4]-2:I-1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4]-4:	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	I(Ga[4]C[5]I[4]2)	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	I(Ga[4]C[5]I[4]2)	122.0375	0.653	2	122.0375	0.426	2	122.0375	0.426	2	122.0375	0.426	2	122.0375	0.426	2	122.0375	0.426	2
878	474	956	0:SP-NON_SP3_SP3	Ga[4]	C[5]	N	4:3:3:3:	4:3:3:4:	4:4:4:	C[5]-4:N[4]-3:N[4]-3:N-3:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	Ga[4]-4:Si-4:Si-4:	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2)	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3)	N(Ga[4]C[5]N[4]2)(SiC3)2	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2){1|N<3>,2|C<3>,3|C<4>}	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>,2|N<2>}	N(Ga[4]C[5]N[4]2)(SiC3)2	128.1290	0.000	1	128.1290	0.000	1	128.1290	0.000	1	128.1290	0.000	1	128.1290	0.000	1	128.1290	0.000	1
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	2:2:4:4:	4:4:4:1:	4:4:4:1:	O[4]-2:O[4]-2:C-4:C-4:	Ga[4]-4:Si-4:Si-4:H-1:	Ga[4]-4:Si-4:Si-4:H-1:	Ga[4](O[4]C[4])2(CSi2H)2	C(Ga[4]O[4]2C)(SiC3)2(H)	C(Ga[4]O[4]2C)(SiC3)2(H)	Ga[4](O[4]C[4])2(CSi2H)2{1|C<3>}	C(Ga[4]O[4]2C)(SiC3)2(H)	C(Ga[4]O[4]2C)(SiC3)2(H)	131.3000	0.000	1	131.3000	0.000	1	131.3000	0.000	1	131.3000	0.000	1	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](N[4]Ga[4]C)2(CH3)2	C(Ga[4]N[4]2C)(H)3	C(Ga[4]N[4]2C)(H)3	Ga[4](N[4]Ga[4]C)2(CH3)2{2|C<4>}	C(Ga[4]N[4]2C)(H)3	C(Ga[4]N[4]2C)(H)3	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	128.0863	11.219	7	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](O[4]Ga[4]B)2(CH3)2	C(Ga[4]O[4]2C)(H)3	C(Ga[4]O[4]2C)(H)3	Ga[4](O[4]Ga[4]B)2(CH3)2{2|C<4>}	C(Ga[4]O[4]2C)(H)3	C(Ga[4]O[4]2C)(H)3	130.1950	0.000	1	130.1950	0.000	1	129.0975	4.874	6	128.0863	11.219	7	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](O[4]Ga[4]C)2(CH3)2	C(Ga[4]O[4]2C)(H)3	C(Ga[4]O[4]2C)(H)3	Ga[4](O[4]Ga[4]C)2(CH3)2{2|C<4>}	C(Ga[4]O[4]2C)(H)3	C(Ga[4]O[4]2C)(H)3	129.2250	2.615	4	129.2250	6.838	4	129.0975	4.874	6	128.0863	11.219	7	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](O[4]Ga[4]Si)2(CH3)2	C(Ga[4]O[4]2C)(H)3	C(Ga[4]O[4]2C)(H)3	Ga[4](O[4]Ga[4]Si)2(CH3)2{2|C<4>}	C(Ga[4]O[4]2C)(H)3	C(Ga[4]O[4]2C)(H)3	127.4900	0.000	1	127.4900	0.000	1	129.0975	4.874	6	128.0863	11.219	7	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:C-4:H-1:H-1:	Ga[4]-4:C-4:H-1:H-1:	Ga[4](O[4]C[6a]Ga[4])2(CCHH)2	C(Ga[4]O[4]2C)(CH3)(H)2	C(Ga[4]O[4]2C)(CH3)(H)2	Ga[4](O[4]C[6a]Ga[4])2(CCHH)2{2|C<4>,4|C<3>}	C(Ga[4]O[4]2C)(CH3)(H)2	C(Ga[4]O[4]2C)(CH3)(H)2	121.0420	2.558	2	121.0420	6.545	2	121.0420	6.545	2	123.9225	13.324	4	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:Si-4:H-1:H-1:	Ga[4]-4:Si-4:H-1:H-1:	Ga[4](O[4]Ga[4]C)2(CSiHH)2	C(Ga[4]O[4]2C)(SiC3)(H)2	C(Ga[4]O[4]2C)(SiC3)(H)2	Ga[4](O[4]Ga[4]C)2(CSiHH)2{2|C<4>}	C(Ga[4]O[4]2C)(SiC3)(H)2	C(Ga[4]O[4]2C)(SiC3)(H)2	126.8030	0.486	2	126.8030	0.237	2	126.8030	0.237	2	123.9225	13.324	4	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	3:3:4:4:	4:4:4:4:	4:4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4](O[4]Ga[4]C)2(CC3)2	C(Ga[4]O[4]2C)(CH3)3	C(Ga[4]O[4]2C)(CH3)3	Ga[4](O[4]Ga[4]C)2(CC3)2{2|C<4>}	C(Ga[4]O[4]2C)(CH3)3	C(Ga[4]O[4]2C)(CH3)3	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	119.2827	7.788	3	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	3:3:4:4:	4:4:4:4:	4:4:4:4:	P[4]-3:P[4]-3:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4](P[4]Ga[4]C[5])2(CC3)2	C(Ga[4]P[4]2C)(CH3)3	C(Ga[4]P[4]2C)(CH3)3	Ga[4](P[4]Ga[4]C[5])2(CC3)2{2|C<4>,4|N<3>}	C(Ga[4]P[4]2C)(CH3)3	C(Ga[4]P[4]2C)(CH3)3	117.6805	0.418	2	117.6805	0.175	2	117.6805	0.175	2	119.2827	7.788	3	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:N[4]-4:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](N[4]C[6,6]Ga[4]N[6])2(CH3)2	C(Ga[4]N[4]2C)(H)3	C(Ga[4]N[4]2C)(H)3	Ga[4](N[4]C[6,6]Ga[4]N[6])2(CH3)2{10|C<4>,2|H<1>}	C(Ga[4]N[4]2C)(H)3	C(Ga[4]N[4]2C)(H)3	107.2690	0.662	4	107.2690	0.439	4	111.1978	77.506	5	111.1978	77.506	5	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:N[4]-4:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:H-1:H-1:H-1:	Ga[4](N[4]Ga[4]HN)2(CH3)2	C(Ga[4]N[4]2C)(H)3	C(Ga[4]N[4]2C)(H)3	Ga[4](N[4]Ga[4]HN)2(CH3)2{2|C<4>}	C(Ga[4]N[4]2C)(H)3	C(Ga[4]N[4]2C)(H)3	126.9130	0.000	1	126.9130	0.000	1	111.1978	77.506	5	111.1978	77.506	5	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	4:4:4:4:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4](N[4]Ga[4]HN)2(CC3)2	C(Ga[4]N[4]2C)(CH3)3	C(Ga[4]N[4]2C)(CH3)3	Ga[4](N[4]Ga[4]HN)2(CC3)2{2|C<4>}	C(Ga[4]N[4]2C)(CH3)3	C(Ga[4]N[4]2C)(CH3)3	118.1020	0.701	2	118.1020	0.492	2	118.1020	0.492	2	119.0317	2.839	3	121.5011	64.793	23	121.5011	64.793	23
878	490	490	0:SP-NON_SP3_SP3	Ga[4]	C	C	4:4:4:4:	4:4:4:4:	4:4:4:4:	P[4]-4:P[4]-4:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4](P[4]Ga[4]CH)2(CC3)2	C(Ga[4]P[4]2C)(CH3)3	C(Ga[4]P[4]2C)(CH3)3	Ga[4](P[4]Ga[4]CH)2(CC3)2{2|C<4>}	C(Ga[4]P[4]2C)(CH3)3	C(Ga[4]P[4]2C)(CH3)3	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	119.0317	2.839	3	121.5011	64.793	23	121.5011	64.793	23
878	490	790	0:SP-NON_SP-NON_SP3	Ga[4]	C	Cl	4:4:4:1:	4:4:4:4:	4:	N[4]-4:N[4]-4:C-4:Cl-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	C(Ga[4]N[4]2Cl)(CH3)3	Cl(Ga[4]N[4]2C)	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){1|Cl<1>,1|C<4>}	C(Ga[4]N[4]2Cl)(CH3)3	Cl(Ga[4]N[4]2C)	109.2990	0.000	1	110.2700	1.886	2	110.2700	1.886	2	110.2700	1.886	2	110.2700	1.886	2	110.2700	1.886	2
878	490	790	0:SP-NON_SP-NON_SP3	Ga[4]	C	Cl	4:4:4:1:	4:4:4:4:	4:	N[4]-4:N[4]-4:C-4:Cl-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	C(Ga[4]N[4]2Cl)(CH3)3	Cl(Ga[4]N[4]2C)	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){2|Cl<1>}	C(Ga[4]N[4]2Cl)(CH3)3	Cl(Ga[4]N[4]2C)	111.2410	0.000	1	110.2700	1.886	2	110.2700	1.886	2	110.2700	1.886	2	110.2700	1.886	2	110.2700	1.886	2
878	490	846	0:SP-NON_SP2_SP3	Ga[4]	C	C[4]	4:3:4:1:	4:4:4:4:	4:4:3:	N[4,5]-4:C[4]-3:C-4:H-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:Si[4]-4:C-3:	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H)	C(Ga[4]N[4,5]C[4]H)(CH3)3	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH)	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C(Ga[4]N[4,5]C[4]H)(CH3)3	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH){2|C<4>}	129.1900	0.000	1	129.1900	0.000	1	129.1900	0.000	1	129.1900	0.000	1	129.1900	0.000	1	129.1900	0.000	1
878	490	856	0:SP-NON_SP2_SP3	Ga[4,6]	C	N[6]	4:3:3:4:	4:1:1:1:	4:3:3:	N[4,6,6]-4:N[4,6]-3:N[6]-3:C-4:	Ga[4,6]-4:H-1:H-1:H-1:	Ga[4,6]-4:C[6]-3:C[6a]-3:	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3)	C(Ga[4,6]N[4,6,6]N[4,6]N[6])(H)3	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2)	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3){2|C<4>,2|N<3>,2|N<4>,6|C<3>}	C(Ga[4,6]N[4,6,6]N[4,6]N[6])(H)3	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|H<1>,6|C<3>}	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1
878	490	882	0:SP-NON_SP3_SP3	Ga[4]	C	P[4]	3:3:4:4:	4:4:4:4:	4:4:3:	P[4]-3:P[4]-3:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C[5]-3:	Ga[4](P[4]Ga[4]C[5])2(CC3)2	C(Ga[4]P[4]2C)(CH3)3	P[4](Ga[4]P[4]CC)2(C[5]N[5]2)	Ga[4](P[4]Ga[4]C[5])2(CC3)2{2|C<4>,4|N<3>}	C(Ga[4]P[4]2C)(CH3)3	P[4](Ga[4]P[4]CC)2(C[5]N[5]2){2|C<4>,3|C<3>}	114.1025	5.677	8	114.1025	32.228	8	114.1025	32.228	8	114.1025	32.228	8	114.1025	32.228	8	114.1025	32.228	8
878	490	891	0:SP-NON_SP3_SP3	Ga[4,5]	C	S[5]	3:3:2:4:	4:1:1:1:	4:4:	S[4,5]-3:S[4,5]-3:S[5]-2:C-4:	Ga[4,5]-4:H-1:H-1:H-1:	Ga[4,5]-4:C[5]-4:	Ga[4,5](S[4,5]Ga[4,5]C[5])2(S[5]C[5])(CH3)	C(Ga[4,5]S[4,5]2S[5])(H)3	S[5](Ga[4,5]S[4,5]2C)(C[5]C[5]HH)	Ga[4,5](S[4,5]Ga[4,5]C[5])2(S[5]C[5])(CH3){1|S<2>,2|C<4>,6|H<1>}	C(Ga[4,5]S[4,5]2S[5])(H)3	S[5](Ga[4,5]S[4,5]2C)(C[5]C[5]HH){1|Ga<4>,1|C<4>,2|H<1>}	124.7690	0.000	1	124.7690	0.000	1	124.7690	0.000	1	124.7690	0.000	1	124.7690	0.000	1	124.7690	0.000	1
878	490	897	0:SP-NON_SP3_SP3	Ga[4]	C	O[4]	3:3:4:4:	4:1:1:1:	4:4:3:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:B-3:	Ga[4](O[4]Ga[4]B)2(CH3)2	C(Ga[4]O[4]2C)(H)3	O[4](Ga[4]O[4]CC)2(BC[6a]O)	Ga[4](O[4]Ga[4]B)2(CH3)2{2|C<4>}	C(Ga[4]O[4]2C)(H)3	O[4](Ga[4]O[4]CC)2(BC[6a]O){1|B<3>}	108.9652	1.410	4	108.9652	1.987	4	108.9652	1.987	4	108.9652	1.987	4	110.0367	57.758	44	110.0367	57.758	44
878	490	897	0:SP-NON_SP3_SP3	Ga[4]	C	O[4]	3:3:4:4:	4:1:1:1:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CH3)2	C(Ga[4]O[4]2C)(H)3	O[4](Ga[4]O[4]CC)2(CCCH)	Ga[4](O[4]Ga[4]C)2(CH3)2{2|C<4>}	C(Ga[4]O[4]2C)(H)3	O[4](Ga[4]O[4]CC)2(CCCH){1|C<4>}	108.3114	6.213	8	108.3114	38.597	8	108.2794	45.548	16	108.5141	37.167	20	110.0367	57.758	44	110.0367	57.758	44
878	490	897	0:SP-NON_SP3_SP3	Ga[4]	C	O[4]	3:3:4:4:	4:1:1:1:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CH3)2	C(Ga[4]O[4]2C)(H)3	O[4](Ga[4]O[4]CC)2(CCHH)	Ga[4](O[4]Ga[4]C)2(CH3)2{2|C<4>}	C(Ga[4]O[4]2C)(H)3	O[4](Ga[4]O[4]CC)2(CCHH){1|C<4>}	108.1585	0.895	4	108.1585	0.801	4	108.2794	45.548	16	108.5141	37.167	20	110.0367	57.758	44	110.0367	57.758	44
878	490	897	0:SP-NON_SP3_SP3	Ga[4]	C	O[4]	3:3:4:4:	4:1:1:1:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CH3)2	C(Ga[4]O[4]2C)(H)3	O[4](Ga[4]O[4]CC)2(CC[6a]CH)	Ga[4](O[4]Ga[4]C)2(CH3)2{2|C<4>}	C(Ga[4]O[4]2C)(H)3	O[4](Ga[4]O[4]CC)2(CC[6a]CH){1|C<4>}	108.3362	11.698	4	108.3362	136.853	4	108.2794	45.548	16	108.5141	37.167	20	110.0367	57.758	44	110.0367	57.758	44
878	490	897	0:SP-NON_SP3_SP3	Ga[4]	C	O[4]	3:3:4:4:	4:1:1:1:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Si-4:Ga[4]-4:Ga[4]-4:	Ga[4](O[4]Ga[4]Si)2(CH3)2	C(Ga[4]O[4]2C)(H)3	O[4](SiC[6a]2C[6])(Ga[4]O[4]CC)2	Ga[4](O[4]Ga[4]Si)2(CH3)2{2|C<4>}	C(Ga[4]O[4]2C)(H)3	O[4](SiC[6a]2C[6])(Ga[4]O[4]CC)2{1|Si<4>}	109.4530	2.486	4	109.4530	6.178	4	109.4530	6.178	4	108.5141	37.167	20	110.0367	57.758	44	110.0367	57.758	44
878	490	897	0:SP-NON_SP3_SP3	Ga[4]	C	O[4]	3:3:4:4:	4:4:1:1:	4:4:3:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:C-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:C[6a]-3:	Ga[4](O[4]C[6a]Ga[4])2(CCHH)2	C(Ga[4]O[4]2C)(CH3)(H)2	O[4](Ga[4]O[4]CC)2(C[6a]C[6a]2)	Ga[4](O[4]C[6a]Ga[4])2(CCHH)2{2|C<4>,4|C<3>}	C(Ga[4]O[4]2C)(CH3)(H)2	O[4](Ga[4]O[4]CC)2(C[6a]C[6a]2){5|C<3>}	113.6275	14.899	8	113.6275	221.970	8	113.6275	221.970	8	113.6275	221.970	8	110.0367	57.758	44	110.0367	57.758	44
878	490	897	0:SP-NON_SP3_SP3	Ga[4]	C	O[4]	3:3:4:4:	4:4:1:1:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:Si-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CSiHH)2	C(Ga[4]O[4]2C)(SiC3)(H)2	O[4](Ga[4]O[4]CC)2(CSiHH)	Ga[4](O[4]Ga[4]C)2(CSiHH)2{2|C<4>}	C(Ga[4]O[4]2C)(SiC3)(H)2	O[4](Ga[4]O[4]CC)2(CSiHH){1|C<4>}	109.7726	2.286	8	109.7726	5.225	8	109.7726	5.225	8	109.7726	5.225	8	110.0367	57.758	44	110.0367	57.758	44
878	490	897	0:SP-NON_SP3_SP3	Ga[4]	C	O[4]	3:3:4:4:	4:4:4:4:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CC3)2	C(Ga[4]O[4]2C)(CH3)3	O[4](Ga[4]O[4]CC)2(CCHH)	Ga[4](O[4]Ga[4]C)2(CC3)2{2|C<4>}	C(Ga[4]O[4]2C)(CH3)3	O[4](Ga[4]O[4]CC)2(CCHH){1|C<4>}	112.0677	1.820	4	112.0677	3.313	4	112.0677	3.313	4	112.0677	3.313	4	110.0367	57.758	44	110.0367	57.758	44
878	490	917	0:SP-NON_SP3_SP3	Ga[4]	C	P[4]	4:4:4:4:	4:4:4:4:	4:4:4:1:	P[4]-4:P[4]-4:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](P[4]Ga[4]CH)2(CC3)2	C(Ga[4]P[4]2C)(CH3)3	P[4](Ga[4]P[4]CC)2(CC3)(H)	Ga[4](P[4]Ga[4]CH)2(CC3)2{2|C<4>}	C(Ga[4]P[4]2C)(CH3)3	P[4](Ga[4]P[4]CC)2(CC3)(H){1|C<4>,1|H<1>}	112.3192	3.870	4	112.3192	14.976	4	112.3192	14.976	4	112.3192	14.976	4	112.3192	14.976	4	112.3192	14.976	4
878	490	951	0:SP-NON_SP-NON_SP3	Ga[4]	C	H	4:3:4:1:	4:4:4:4:	4:	N[4,5]-4:C[4]-3:C-4:H-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H)	C(Ga[4]N[4,5]C[4]H)(CH3)3	H(Ga[4]N[4,5]C[4]C)	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C(Ga[4]N[4,5]C[4]H)(CH3)3	H(Ga[4]N[4,5]C[4]C)	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	112.7570	15.279	2	112.7570	15.279	2
878	490	951	0:SP-NON_SP-NON_SP3	Ga[4]	C	H	4:4:4:1:	4:4:4:4:	4:	N[4]-4:N[4]-4:C-4:H-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(H)	C(Ga[4]N[4]2H)(CH3)3	H(Ga[4]N[4]2C)	Ga[4](N[4]Ga[4]CC)2(CC3)(H){1|C<4>,1|H<1>}	C(Ga[4]N[4]2H)(CH3)3	H(Ga[4]N[4]2C)	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	112.7570	15.279	2	112.7570	15.279	2
878	490	956	0:SP-NON_SP3_SP3	Ga[4]	C	N	4:4:3:4:	4:1:1:1:	4:4:4:	N[4]-4:N[4]-4:N-3:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:Si-4:Si-4:	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3)	C(Ga[4]N[4]2N)(H)3	N(Ga[4]N[4]2C)(SiC3)2	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3){1|C<4>,1|N<3>}	C(Ga[4]N[4]2N)(H)3	N(Ga[4]N[4]2C)(SiC3)2	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1
878	490	980	0:SP-NON_SP3_SP3	Ga[4,4,6]	C	N[4,4,6]	4:4:3:4:	4:4:4:4:	4:4:4:1:	N[4,4,6]-4:N[4,4,6]-4:N[4,6,6]-3:C-4:	Ga[4,4,6]-4:C-4:C-4:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:H-1:	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3)	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H)	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3){2|N<3>,2|N<4>,4|C<4>}	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H){4|Ga<4>,2|H<1>}	120.6455	1.356	2	120.6455	1.837	2	120.6455	1.837	2	120.6455	1.837	2	120.6455	1.837	2	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4,4,6]	C	N[4,6,6]	3:3:4:4:	4:4:4:4:	4:4:4:1:	N[4,4,6]-3:N[4,4,6]-3:N[4,6,6]-4:C-4:	Ga[4,4,6]-4:C-4:C-4:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:H-1:	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3)	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H)	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3){2|N<3>,2|N<4>,4|C<4>}	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H){5|Ga<4>,1|H<1>}	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4,6,6]	C	N[4,4,6]	4:3:4:4:	4:4:4:4:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-4:C-4:	Ga[4,6,6]-4:C-4:C-4:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:H-1:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3)	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H)	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3){2|N<4>,3|N<3>,5|C<4>}	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H){4|Ga<4>,2|H<1>}	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4,6,6]	C	N[4,6,6]	4:3:3:4:	4:4:4:4:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-3:C-4:	Ga[4,6,6]-4:C-4:C-4:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:H-1:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3)	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H)	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3){2|N<3>,3|N<4>,5|C<4>}	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H){5|Ga<4>,1|H<1>}	113.9450	0.000	1	113.9450	0.000	1	113.9450	0.000	1	113.9450	0.000	1	113.9525	0.122	4	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4,6,6]	C	N[4,6,6]	4:3:4:4:	4:4:4:4:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-4:C-4:	Ga[4,6,6]-4:C-4:C-4:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:H-1:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3)	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H)	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3){2|N<4>,3|N<3>,5|C<4>}	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H){5|Ga<4>,1|H<1>}	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	113.9525	0.122	4	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4,6,6]	C	N[4,6,6]	4:4:3:4:	4:1:1:1:	4:4:4:3:	N[4,6,6]-4:N[4,6,6]-4:N[4,6]-3:C-4:	Ga[4,6,6]-4:H-1:H-1:H-1:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,6]-4:C[6a]-3:	Ga[4,6,6](N[4,6,6]Ga[4,6,6]Ga[4,6]C[6a])2(N[4,6]Ga[4,6]C[6])(CH3)	C(Ga[4,6,6]N[4,6,6]2N[4,6])(H)3	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2)	Ga[4,6,6](N[4,6,6]Ga[4,6,6]Ga[4,6]C[6a])2(N[4,6]Ga[4,6]C[6])(CH3){1|N<4>,4|C<4>,4|N<3>,5|C<3>}	C(Ga[4,6,6]N[4,6,6]2N[4,6])(H)3	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2){3|Ga<4>,2|H<1>,7|C<3>}	114.1600	0.335	2	114.1600	0.112	2	114.1600	0.112	2	114.1600	0.112	2	113.9525	0.122	4	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4,6]	C	N[4,6,6]	4:3:3:4:	4:1:1:1:	4:4:4:3:	N[4,6,6]-4:N[4,6]-3:N[6]-3:C-4:	Ga[4,6]-4:H-1:H-1:H-1:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,6]-4:C[6a]-3:	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3)	C(Ga[4,6]N[4,6,6]N[4,6]N[6])(H)3	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2)	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3){2|C<4>,2|N<3>,2|N<4>,6|C<3>}	C(Ga[4,6]N[4,6,6]N[4,6]N[6])(H)3	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2){3|Ga<4>,2|H<1>,7|C<3>}	114.7750	0.000	1	114.7750	0.000	1	114.7750	0.000	1	114.7750	0.000	1	114.7750	0.000	1	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4]	C	N[4,5]	4:3:4:1:	4:4:4:4:	4:4:4:4:	N[4,5]-4:C[4]-3:C-4:H-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H)	C(Ga[4]N[4,5]C[4]H)(CH3)3	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C(Ga[4]N[4,5]C[4]H)(CH3)3	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2{1|C<3>,4|H<1>}	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4]	C	N[4]	4:4:3:4:	4:1:1:1:	4:4:1:1:	N[4]-4:N[4]-4:N-3:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:H-1:H-1:	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3)	C(Ga[4]N[4]2N)(H)3	N[4](Ga[4]N[4]CN)2(H)2	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3){1|C<4>,1|N<3>}	C(Ga[4]N[4]2N)(H)3	N[4](Ga[4]N[4]CN)2(H)2{2|H<1>}	111.0310	3.067	2	111.0310	9.409	2	111.0310	9.409	2	111.0310	9.409	2	114.8276	31.010	36	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4]	C	N[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:Cl-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	C(Ga[4]N[4]2Cl)(CH3)3	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){2|Cl<1>}	C(Ga[4]N[4]2Cl)(CH3)3	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2{2|C<4>}	122.2260	0.919	2	122.2260	0.845	2	122.2425	0.284	4	121.4063	1.878	6	114.8276	31.010	36	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4]	C	N[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:Cl-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	C(Ga[4]N[4]2Cl)(CH3)3	N[4](Ga[4]N[4]ClC)2(CCHH)2	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){1|Cl<1>,1|C<4>}	C(Ga[4]N[4]2Cl)(CH3)3	N[4](Ga[4]N[4]ClC)2(CCHH)2{2|C<4>}	122.2590	0.068	2	122.2590	0.005	2	122.2425	0.284	4	121.4063	1.878	6	114.8276	31.010	36	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4]	C	N[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:H-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(H)	C(Ga[4]N[4]2H)(CH3)3	N[4](Ga[4]N[4]CH)2(CCHH)2	Ga[4](N[4]Ga[4]CC)2(CC3)(H){1|C<4>,1|H<1>}	C(Ga[4]N[4]2H)(CH3)3	N[4](Ga[4]N[4]CH)2(CCHH)2{2|C<4>}	119.7340	0.387	2	119.7340	0.150	2	119.7340	0.150	2	121.4063	1.878	6	114.8276	31.010	36	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4]	C	N[4]	4:4:4:4:	4:1:1:1:	4:4:3:1:	N[4]-4:N[4]-4:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(CH3)2	C(Ga[4]N[4]2C)(H)3	N[4](Ga[4]N[4]CC)2(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(CH3)2{2|C<4>}	C(Ga[4]N[4]2C)(H)3	N[4](Ga[4]N[4]CC)2(NCC)(H){1|H<1>,1|N<3>}	109.0127	3.432	4	109.0127	11.779	4	109.0127	11.779	4	109.0127	11.779	4	114.8276	31.010	36	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4]	C	N[4]	4:4:4:4:	4:1:1:1:	4:4:4:3:	N[4]-4:N[4]-4:C-4:C-4:	Ga[4]-4:H-1:H-1:H-1:	C[6,6]-4:Ga[4]-4:Ga[4]-4:N[6]-3:	Ga[4](N[4]C[6,6]Ga[4]N[6])2(CH3)2	C(Ga[4]N[4]2C)(H)3	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2)	Ga[4](N[4]C[6,6]Ga[4]N[6])2(CH3)2{10|C<4>,2|H<1>}	C(Ga[4]N[4]2C)(H)3	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2){1|N<3>,6|H<1>,7|C<4>}	115.2541	5.151	16	115.2541	26.530	16	115.2541	26.530	16	115.2541	26.530	16	114.8276	31.010	36	115.3036	27.128	46
878	490	980	0:SP-NON_SP3_SP3	Ga[4]	C	N[4]	4:4:4:4:	4:4:4:4:	4:4:3:1:	N[4]-4:N[4]-4:C-4:C-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(CC3)2	C(Ga[4]N[4]2C)(CH3)3	N[4](Ga[4]N[4]CC)2(NCH)(H)	Ga[4](N[4]Ga[4]HN)2(CC3)2{2|C<4>}	C(Ga[4]N[4]2C)(CH3)3	N[4](Ga[4]N[4]CC)2(NCH)(H){1|H<1>,1|N<3>}	112.8971	5.026	8	112.8971	25.256	8	112.8971	25.256	8	112.8971	25.256	8	114.8276	31.010	36	115.3036	27.128	46
878	542	542	0:SP-NON_SP2_SP2	Ga[4,5,5]	N[5]	N[5]	4:4:3:3:	4:3:4:	4:3:4:	N[4,5]-4:N[4,5]-4:N[5]-3:N[5]-3:	Ga[4,5,5]-4:C[5]-3:C-4:	Ga[4,5,5]-4:C[5]-3:C-4:	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2{2|Cl<1>,4|H<1>}	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	139.2347	0.461	6	139.2347	0.213	6	139.2347	0.213	6	139.2347	0.213	6	139.2347	0.213	6	139.2347	0.213	6
878	542	542	5:SP-NON_SP2_SP2	Ga[4,5,5]	N[5]	N[5]	4:4:3:3:	4:3:4:	4:3:4:	N[4,5]-4:N[4,5]-4:N[5]-3:N[5]-3:	Ga[4,5,5]-4:C[5]-3:C-4:	Ga[4,5,5]-4:C[5]-3:C-4:	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2{2|Cl<1>,4|H<1>}	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	139.2370	0.000	2	139.2370	0.000	2	139.2370	0.000	2	139.2370	0.000	2	139.2370	0.000	2	139.2370	0.000	2
878	542	790	0:SP-NON_SP-NON_SP3	Ga[4,5]	N[5]	Cl	4:4:3:1:	4:4:3:	4:	N[4,5]-4:N[4,5]-4:N[5]-3:Cl-1:	Ga[4,5]-4:C[6]-4:C[5]-3:	Ga[4,5]-4:	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl)	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H)	Cl(Ga[4,5]N[4,5]2N[5])	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl){1|Cl<1>,1|C<3>,1|N<3>,6|C<4>,6|H<1>}	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H){1|Ga<4>,1|C<3>,4|C<4>,5|H<1>}	Cl(Ga[4,5]N[4,5]2N[5])	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1
878	542	980	0:SP-NON_SP2_SP3	Ga[4,5,5]	N[5]	N[4,5]	4:4:3:3:	4:3:4:	4:4:3:4:	N[4,5]-4:N[4,5]-4:N[5]-3:N[5]-3:	Ga[4,5,5]-4:C[5]-3:C-4:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2{2|Cl<1>,4|H<1>}	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	117.1838	2.226	12	117.1838	4.957	12	117.1838	4.957	12	117.1838	4.957	12	117.1838	4.957	12	117.1838	4.957	12
878	542	980	5:SP-NON_SP2_SP3	Ga[4,5,5]	N[5]	N[4,5]	4:4:3:3:	4:3:4:	4:4:3:4:	N[4,5]-4:N[4,5]-4:N[5]-3:N[5]-3:	Ga[4,5,5]-4:C[5]-3:C-4:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2{2|Cl<1>,4|H<1>}	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	96.0831	8.361	16	96.0831	69.901	16	96.0831	69.901	16	96.0831	69.901	16	96.0831	69.901	16	96.0831	69.901	16
878	542	980	5:SP-NON_SP3_SP3	Ga[4,5]	N[5]	N[4,5]	4:4:3:1:	4:4:3:	4:4:4:3:	N[4,5]-4:N[4,5]-4:N[5]-3:Cl-1:	Ga[4,5]-4:C[6]-4:C[5]-3:	Ga[4,5]-4:Ga[4,5]-4:C[6]-4:C[5]-3:	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl)	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H)	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H)	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl){1|Cl<1>,1|C<3>,1|N<3>,6|C<4>,6|H<1>}	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H){1|Ga<4>,1|C<3>,4|C<4>,5|H<1>}	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,5|C<4>,5|H<1>}	105.1263	19.175	2	105.1263	367.677	2	105.1263	367.677	2	105.1263	367.677	2	105.1263	367.677	2	105.1263	367.677	2
878	643	643	0:SP-NON_SP2_SP2	Ga[4]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[4]-3:N[4]-3:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4](C[6a]C[6a]2)2(N[4]Ga[4]N)2	C[6a](Ga[4]C[6a]N[4]2)(C[6a]C[6a]C)2	C[6a](Ga[4]C[6a]N[4]2)(C[6a]C[6a]C)2	Ga[4](C[6a]C[6a]2)2(N[4]Ga[4]N)2{4|C<4>,6|C<3>}	C[6a](Ga[4]C[6a]N[4]2)(C[6a]C[6a]C)2{1|Ga<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](Ga[4]C[6a]N[4]2)(C[6a]C[6a]C)2{1|Ga<4>,2|H<1>,2|N<2>,3|C<3>}	129.1955	0.022	2	129.1955	0.000	2	129.1955	0.000	2	126.2877	25.367	3	126.2877	25.367	3	126.2877	25.367	3
878	643	643	0:SP-NON_SP2_SP2	Ga[4]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[4]-3:O[4]-3:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4](C[6a]C[6a]2)2(O[4]Ga[4]C)2	C[6a](Ga[4]C[6a]O[4]2)(C[6a]C[6a]F)2	C[6a](Ga[4]C[6a]O[4]2)(C[6a]C[6a]F)2	Ga[4](C[6a]C[6a]2)2(O[4]Ga[4]C)2{4|F<1>,6|C<3>}	C[6a](Ga[4]C[6a]O[4]2)(C[6a]C[6a]F)2{1|Ga<4>,2|C<4>,2|F<1>,3|C<3>}	C[6a](Ga[4]C[6a]O[4]2)(C[6a]C[6a]F)2{1|Ga<4>,2|C<4>,2|F<1>,3|C<3>}	120.4720	0.000	1	120.4720	0.000	1	120.4720	0.000	1	126.2877	25.367	3	126.2877	25.367	3	126.2877	25.367	3
878	643	879	0:SP-NON_SP-NON_SP2	Ga[4]	C[6a]	Cl[4]	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:Cl[4]-2:Cl[4]-2:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4]-4:Ga[4]-4:	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2	C[6a](Ga[4]Cl[4]2C[5])(C[6a]C[6a]F)2	Cl[4](Ga[4]C[6a]Cl[4]C[5])2	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2{2|F<1>,3|C<4>,5|C<3>}	C[6a](Ga[4]Cl[4]2C[5])(C[6a]C[6a]F)2{1|Ga<4>,1|C<4>,2|F<1>,3|C<3>}	Cl[4](Ga[4]C[6a]Cl[4]C[5])2{2|C<4>,8|C<3>}	108.1158	0.259	4	108.1158	0.067	4	108.1158	0.067	4	108.1158	0.067	4	108.1158	0.067	4	108.1158	0.067	4
878	643	897	0:SP-NON_SP2_SP3	Ga[4]	C[6a]	O[4]	3:3:3:3:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:O[4]-3:O[4]-3:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](C[6a]C[6a]2)2(O[4]Ga[4]C)2	C[6a](Ga[4]C[6a]O[4]2)(C[6a]C[6a]F)2	O[4](Ga[4]C[6a]2O[4])2(CC[6a]HH)	Ga[4](C[6a]C[6a]2)2(O[4]Ga[4]C)2{4|F<1>,6|C<3>}	C[6a](Ga[4]C[6a]O[4]2)(C[6a]C[6a]F)2{1|Ga<4>,2|C<4>,2|F<1>,3|C<3>}	O[4](Ga[4]C[6a]2O[4])2(CC[6a]HH){1|C<4>,8|C<3>}	112.5580	1.880	4	112.5580	3.534	4	112.5580	3.534	4	112.5580	3.534	4	112.5580	3.534	4	112.5580	3.534	4
878	643	951	0:SP-NON_SP-NON_SP2	Ga[4]	C[6a]	H	4:4:3:1:	4:3:3:	4:	N[4]-4:N[4]-4:C[6a]-3:H-1:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4]-4:	Ga[4](N[4]Ga[4]HH)2(C[6a]C[6a]2)(H)	C[6a](Ga[4]N[4]2H)(C[6a]C[6a]2)2	H(Ga[4]C[6a]N[4]2)	Ga[4](N[4]Ga[4]HH)2(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[6a](Ga[4]N[4]2H)(C[6a]C[6a]2)2{1|Ga<4>,5|C<3>,6|H<1>}	H(Ga[4]C[6a]N[4]2)	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1
878	643	980	0:SP-NON_SP2_SP3	Ga[4]	C[6a]	N[4]	4:4:3:1:	4:3:3:	4:4:1:1:	N[4]-4:N[4]-4:C[6a]-3:H-1:	Ga[4]-4:C[6a]-3:C[6a]-3:	Ga[4]-4:Ga[4]-4:H-1:H-1:	Ga[4](N[4]Ga[4]HH)2(C[6a]C[6a]2)(H)	C[6a](Ga[4]N[4]2H)(C[6a]C[6a]2)2	N[4](Ga[4]C[6a]N[4]H)2(H)2	Ga[4](N[4]Ga[4]HH)2(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[6a](Ga[4]N[4]2H)(C[6a]C[6a]2)2{1|Ga<4>,5|C<3>,6|H<1>}	N[4](Ga[4]C[6a]N[4]H)2(H)2{2|H<1>,4|C<3>}	116.7205	1.166	2	116.7205	1.360	2	116.7205	1.360	2	116.7205	1.360	2	116.7205	1.360	2	116.7205	1.360	2
878	790	790	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl	3:2:1:1:	4:	4:	N[4]-3:Cl[4]-2:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2	Cl(Ga[4]Cl[4]N[4]Cl)	Cl(Ga[4]Cl[4]N[4]Cl)	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2{3|Cl<1>,2|N<3>}	Cl(Ga[4]Cl[4]N[4]Cl)	Cl(Ga[4]Cl[4]N[4]Cl)	116.2370	0.984	2	116.2370	0.969	2	116.2370	0.969	2	116.2370	0.969	2	108.2956	19.367	15	108.2956	19.367	15
878	790	790	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2	Cl(Ga[4]N[4]2Cl)	Cl(Ga[4]N[4]2Cl)	Ga[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2{4|C<3>}	Cl(Ga[4]N[4]2Cl)	Cl(Ga[4]N[4]2Cl)	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	108.2956	19.367	15	108.2956	19.367	15
878	790	790	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl	4:4:1:1:	4:	4:	N[3,4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2	Cl(Ga[4]N[3,4]N[4]Cl)	Cl(Ga[4]N[3,4]N[4]Cl)	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2{1|Cl<1>,1|C<3>,1|N<3>}	Cl(Ga[4]N[3,4]N[4]Cl)	Cl(Ga[4]N[3,4]N[4]Cl)	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	106.8478	10.605	12	108.2956	19.367	15	108.2956	19.367	15
878	790	790	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl	4:4:1:1:	4:	4:	N[4,5]-4:N[4,5]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4,5]Ga[4,5,5]C[5]C)2(Cl)2	Cl(Ga[4]N[4,5]2Cl)	Cl(Ga[4]N[4,5]2Cl)	Ga[4](N[4,5]Ga[4,5,5]C[5]C)2(Cl)2{2|C<3>,2|H<1>,2|N<3>}	Cl(Ga[4]N[4,5]2Cl)	Cl(Ga[4]N[4,5]2Cl)	104.8708	0.724	8	104.8708	0.525	8	104.8708	0.525	8	106.8478	10.605	12	108.2956	19.367	15	108.2956	19.367	15
878	790	790	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl	4:4:1:1:	4:	4:	N[4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]CC)2(Cl)2	Cl(Ga[4]N[4]2Cl)	Cl(Ga[4]N[4]2Cl)	Ga[4](N[4]Ga[4]CC)2(Cl)2{1|Cl<1>,1|C<4>}	Cl(Ga[4]N[4]2Cl)	Cl(Ga[4]N[4]2Cl)	112.3540	0.000	1	112.3540	0.000	1	111.9113	2.200	3	106.8478	10.605	12	108.2956	19.367	15	108.2956	19.367	15
878	790	790	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl	4:4:1:1:	4:	4:	N[4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]CH)2(Cl)2	Cl(Ga[4]N[4]2Cl)	Cl(Ga[4]N[4]2Cl)	Ga[4](N[4]Ga[4]CH)2(Cl)2{2|Cl<1>}	Cl(Ga[4]N[4]2Cl)	Cl(Ga[4]N[4]2Cl)	110.2570	0.000	1	110.2570	0.000	1	111.9113	2.200	3	106.8478	10.605	12	108.2956	19.367	15	108.2956	19.367	15
878	790	790	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl	4:4:1:1:	4:	4:	N[4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]SiH)2(Cl)2	Cl(Ga[4]N[4]2Cl)	Cl(Ga[4]N[4]2Cl)	Ga[4](N[4]Ga[4]SiH)2(Cl)2{2|Cl<1>}	Cl(Ga[4]N[4]2Cl)	Cl(Ga[4]N[4]2Cl)	113.1230	0.000	1	113.1230	0.000	1	111.9113	2.200	3	106.8478	10.605	12	108.2956	19.367	15	108.2956	19.367	15
878	790	879	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl[4]	2:2:1:1:	4:	4:4:	Cl[4]-2:Cl[4]-2:Cl-1:H-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](Cl[4]Ga[4])2(Cl)(H)	Cl(Ga[4]Cl[4]2H)	Cl[4](Ga[4]Cl[4]ClH)2	Ga[4](Cl[4]Ga[4])2(Cl)(H){1|Cl<1>,1|H<1>}	Cl(Ga[4]Cl[4]2H)	Cl[4](Ga[4]Cl[4]ClH)2	103.3765	1.972	2	103.3765	3.889	2	103.3765	3.889	2	103.3765	3.889	2	103.7543	11.614	40	103.7543	11.614	40
878	790	879	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl[4]	2:2:3:1:	4:	4:4:	Cl[4]-2:Cl[4]-2:C-3:Cl-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl)	Cl(Ga[4]Cl[4]2C)	Cl[4](Ga[4]Cl[4]ClC)2	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl){1|Cl<1>,1|C<3>}	Cl(Ga[4]Cl[4]2C)	Cl[4](Ga[4]Cl[4]ClC)2	103.5260	3.667	28	103.5260	13.444	28	103.5260	13.444	28	103.5260	13.444	28	103.7543	11.614	40	103.7543	11.614	40
878	790	879	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl[4]	3:2:1:1:	4:	4:4:	N[4]-3:Cl[4]-2:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2	Cl(Ga[4]Cl[4]N[4]Cl)	Cl[4](Ga[4]N[4]Cl2)2	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2{3|Cl<1>,2|N<3>}	Cl(Ga[4]Cl[4]N[4]Cl)	Cl[4](Ga[4]N[4]Cl2)2{1|P<4>}	107.4485	1.144	4	107.4485	1.309	4	107.4485	1.309	4	107.4485	1.309	4	103.7543	11.614	40	103.7543	11.614	40
878	790	879	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl[4]	4:2:2:1:	4:	4:4:	C[5]-4:Cl[4]-2:Cl[4]-2:Cl-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl)	Cl(Ga[4]Cl[4]2C[5])	Cl[4](Ga[4]Cl[4]C[5]Cl)2	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Cl(Ga[4]Cl[4]2C[5])	Cl[4](Ga[4]Cl[4]C[5]Cl)2{2|C<4>,4|C<3>}	101.6902	1.664	4	101.6902	2.771	4	101.6902	2.771	4	102.4832	3.223	6	103.7543	11.614	40	103.7543	11.614	40
878	790	879	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	Cl[4]	4:2:2:1:	4:	4:4:	C[6]-4:Cl[4]-2:Cl[4]-2:Cl-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl)	Cl(Ga[4]Cl[4]2C[6])	Cl[4](Ga[4]Cl[4]C[6]Cl)2	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl){1|Br<2>,3|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Cl(Ga[4]Cl[4]2C[6])	Cl[4](Ga[4]Cl[4]C[6]Cl)2{2|Ga<4>,2|Si<4>,2|C<4>}	104.0690	0.508	2	104.0690	0.258	2	104.0690	0.258	2	102.4832	3.223	6	103.7543	11.614	40	103.7543	11.614	40
878	790	930	0:SP-NON_SP-NON_SP2	Ga[4]	Cl	C	2:2:3:1:	4:	4:3:4:	Cl[4]-2:Cl[4]-2:C-3:Cl-1:	Ga[4]-4:	Ga[4]-4:C-3:Si-4:	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl)	Cl(Ga[4]Cl[4]2C)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl){1|Cl<1>,1|C<3>}	Cl(Ga[4]Cl[4]2C)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	129.2237	2.235	14	129.2237	4.996	14	129.2237	4.996	14	129.2237	4.996	14	129.2237	4.996	14	129.2237	4.996	14
878	790	951	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	H	2:2:1:1:	4:	4:	Cl[4]-2:Cl[4]-2:Cl-1:H-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](Cl[4]Ga[4])2(Cl)(H)	Cl(Ga[4]Cl[4]2H)	H(Ga[4]Cl[4]2Cl)	Ga[4](Cl[4]Ga[4])2(Cl)(H){1|Cl<1>,1|H<1>}	Cl(Ga[4]Cl[4]2H)	H(Ga[4]Cl[4]2Cl)	127.4180	0.000	1	127.4180	0.000	1	127.4180	0.000	1	127.4180	0.000	1	122.9055	40.725	2	122.9055	40.725	2
878	790	951	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl	H	4:4:1:1:	4:	4:	N[4]-4:N[4]-4:Cl-1:H-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]CH)2(Cl)(H)	Cl(Ga[4]N[4]2H)	H(Ga[4]N[4]2Cl)	Ga[4](N[4]Ga[4]CH)2(Cl)(H){1|Cl<1>,1|H<1>}	Cl(Ga[4]N[4]2H)	H(Ga[4]N[4]2Cl)	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	122.9055	40.725	2	122.9055	40.725	2
878	790	980	0:SP-NON_SP-NON_SP3	Ga[4,5]	Cl	N[4,5]	4:4:3:1:	4:	4:4:4:3:	N[4,5]-4:N[4,5]-4:N[5]-3:Cl-1:	Ga[4,5]-4:	Ga[4,5]-4:Ga[4,5]-4:C[6]-4:C[5]-3:	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl)	Cl(Ga[4,5]N[4,5]2N[5])	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H)	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl){1|Cl<1>,1|C<3>,1|N<3>,6|C<4>,6|H<1>}	Cl(Ga[4,5]N[4,5]2N[5])	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,5|C<4>,5|H<1>}	118.1010	9.751	2	118.1010	95.082	2	118.1010	95.082	2	118.1010	95.082	2	118.1010	95.082	2	113.7172	34.738	50
878	790	980	0:SP-NON_SP-NON_SP3	Ga[4]	Cl	N[4,5]	4:4:1:1:	4:	4:4:3:4:	N[4,5]-4:N[4,5]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	Ga[4](N[4,5]Ga[4,5,5]C[5]C)2(Cl)2	Cl(Ga[4]N[4,5]2Cl)	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	Ga[4](N[4,5]Ga[4,5,5]C[5]C)2(Cl)2{2|C<3>,2|H<1>,2|N<3>}	Cl(Ga[4]N[4,5]2Cl)	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	115.7836	4.306	28	115.7836	18.541	28	115.7836	18.541	28	115.7836	18.541	28	115.7836	18.541	28	113.7172	34.738	50
878	790	980	0:SP-NON_SP-NON_SP3	Ga[4]	Cl	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](N[4]Ga[4]CH)2(Cl)2	Cl(Ga[4]N[4]2Cl)	N[4](Ga[4]N[4]Cl2)2(CC3)(H)	Ga[4](N[4]Ga[4]CH)2(Cl)2{2|Cl<1>}	Cl(Ga[4]N[4]2Cl)	N[4](Ga[4]N[4]Cl2)2(CC3)(H){1|C<4>,1|H<1>}	114.6250	5.196	4	114.6250	26.996	4	114.6250	26.996	4	111.1738	60.169	10	110.3858	38.238	20	113.7172	34.738	50
878	790	980	0:SP-NON_SP-NON_SP3	Ga[4]	Cl	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:Si-4:H-1:	Ga[4](N[4]Ga[4]SiH)2(Cl)2	Cl(Ga[4]N[4]2Cl)	N[4](Ga[4]N[4]Cl2)2(SiC[6a]CC)(H)	Ga[4](N[4]Ga[4]SiH)2(Cl)2{2|Cl<1>}	Cl(Ga[4]N[4]2Cl)	N[4](Ga[4]N[4]Cl2)2(SiC[6a]CC)(H){1|Si<4>,1|H<1>}	113.0072	2.756	4	113.0072	7.594	4	113.0072	7.594	4	111.1738	60.169	10	110.3858	38.238	20	113.7172	34.738	50
878	790	980	0:SP-NON_SP-NON_SP3	Ga[4]	Cl	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:N[4]-4:Cl-1:H-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](N[4]Ga[4]CH)2(Cl)(H)	Cl(Ga[4]N[4]2H)	N[4](Ga[4]N[4]ClH)2(CCHH)(H)	Ga[4](N[4]Ga[4]CH)2(Cl)(H){1|Cl<1>,1|H<1>}	Cl(Ga[4]N[4]2H)	N[4](Ga[4]N[4]ClH)2(CCHH)(H){1|C<4>,1|H<1>}	100.6046	12.379	2	100.6046	153.246	2	100.6046	153.246	2	111.1738	60.169	10	110.3858	38.238	20	113.7172	34.738	50
878	790	980	0:SP-NON_SP-NON_SP3	Ga[4]	Cl	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(Cl)2	Cl(Ga[4]N[4]2Cl)	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2	Ga[4](N[4]Ga[4]CC)2(Cl)2{1|Cl<1>,1|C<4>}	Cl(Ga[4]N[4]2Cl)	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2{2|C<4>}	113.0115	0.955	4	113.0115	0.912	4	113.0115	0.912	4	113.0115	0.912	4	110.3858	38.238	20	113.7172	34.738	50
878	790	980	0:SP-NON_SP-NON_SP3	Ga[4]	Cl	N[4]	4:4:1:1:	4:	5:4:4:1:	N[3,4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:	Ga[3,3,4]-5:Ga[4]-4:C-4:H-1:	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2	Cl(Ga[4]N[3,4]N[4]Cl)	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H)	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2{1|Cl<1>,1|C<3>,1|N<3>}	Cl(Ga[4]N[3,4]N[4]Cl)	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H){1|C<3>,2|C<4>}	110.8925	7.307	2	110.8925	53.385	2	110.8925	53.385	2	110.8925	53.385	2	110.3858	38.238	20	113.7172	34.738	50
878	790	980	0:SP-NON_SP-NON_SP3	Ga[4]	Cl	N[4]	4:4:4:1:	4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:Cl-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	Cl(Ga[4]N[4]2C)	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){2|Cl<1>}	Cl(Ga[4]N[4]2C)	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2{2|C<4>}	105.3015	0.317	2	105.3015	0.101	2	105.5367	0.174	4	105.5367	0.174	4	110.3858	38.238	20	113.7172	34.738	50
878	790	980	0:SP-NON_SP-NON_SP3	Ga[4]	Cl	N[4]	4:4:4:1:	4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:Cl-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	Cl(Ga[4]N[4]2C)	N[4](Ga[4]N[4]ClC)2(CCHH)2	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){1|Cl<1>,1|C<4>}	Cl(Ga[4]N[4]2C)	N[4](Ga[4]N[4]ClC)2(CCHH)2{2|C<4>}	105.7720	0.448	2	105.7720	0.201	2	105.5367	0.174	4	105.5367	0.174	4	110.3858	38.238	20	113.7172	34.738	50
878	818	882	0:SP-NON_SP2_SP3	Ga[4]	C[5]	P[4]	3:3:3:1:	3:3:4:	4:4:4:	P[4]-3:P[4]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:Ga[4]-4:	Ga[4]-4:Ga[4]-4:Si-4:	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H)	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H)	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C)	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H){1|Ga<4>,2|Si<4>,2|C<3>}	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C){1|Si<4>,4|N<3>}	110.6880	1.851	4	110.6880	3.426	4	110.6880	3.426	4	110.6880	3.426	4	110.3959	3.789	8	110.3959	3.789	8
878	818	882	0:SP-NON_SP2_SP3	Ga[4]	C[5]	P[4]	3:3:3:1:	4:3:3:	4:4:4:	P[4]-3:P[4]-3:C[5]-3:H-1:	Ga[4]-4:N[5]-3:N[5]-3:	Ga[4]-4:Ga[4]-4:Si-4:	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H)	C[5](Ga[4]P[4]2H)(N[5]C[5]C)2	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C)	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](Ga[4]P[4]2H)(N[5]C[5]C)2{1|Ga<4>,2|Si<4>,2|H<1>}	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C){1|Si<4>,4|N<3>}	110.1037	2.277	4	110.1037	5.187	4	110.1037	5.187	4	110.1037	5.187	4	110.3959	3.789	8	110.3959	3.789	8
878	818	951	0:SP-NON_SP-NON_SP2	Ga[4]	C[5]	H	3:3:3:1:	3:3:4:	4:	P[4]-3:P[4]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:Ga[4]-4:	Ga[4]-4:	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H)	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H)	H(Ga[4]C[5]P[4]2)	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H){1|Ga<4>,2|Si<4>,2|C<3>}	H(Ga[4]C[5]P[4]2)	106.6275	5.045	2	106.6275	25.454	2	106.6275	25.454	2	106.6275	25.454	2	106.1870	9.541	4	106.1870	9.541	4
878	818	951	0:SP-NON_SP-NON_SP2	Ga[4]	C[5]	H	3:3:3:1:	4:3:3:	4:	P[4]-3:P[4]-3:C[5]-3:H-1:	Ga[4]-4:N[5]-3:N[5]-3:	Ga[4]-4:	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H)	C[5](Ga[4]P[4]2H)(N[5]C[5]C)2	H(Ga[4]C[5]P[4]2)	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](Ga[4]P[4]2H)(N[5]C[5]C)2{1|Ga<4>,2|Si<4>,2|H<1>}	H(Ga[4]C[5]P[4]2)	105.7465	1.546	2	105.7465	2.391	2	105.7465	2.391	2	105.7465	2.391	2	106.1870	9.541	4	106.1870	9.541	4
878	846	951	0:SP-NON_SP-NON_SP2	Ga[4]	C[4]	H	4:3:4:1:	4:4:3:	4:	N[4,5]-4:C[4]-3:C-4:H-1:	Ga[4]-4:Si[4]-4:C-3:	Ga[4]-4:	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H)	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH)	H(Ga[4]N[4,5]C[4]C)	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH){2|C<4>}	H(Ga[4]N[4,5]C[4]C)	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1
878	846	980	4:SP-NON_SP2_SP3	Ga[4]	C[4]	N[4,5]	4:3:4:1:	4:4:3:	4:4:4:4:	N[4,5]-4:C[4]-3:C-4:H-1:	Ga[4]-4:Si[4]-4:C-3:	Ga[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H)	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH)	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH){2|C<4>}	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2{1|C<3>,4|H<1>}	79.9385	0.000	1	79.9385	0.000	1	79.9385	0.000	1	79.9385	0.000	1	79.9385	0.000	1	79.9385	0.000	1
878	856	856	6:SP-NON_SP2_SP2	Ga[4,4,6]	N[6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:P[4x4]-3:P[4x4]-3:	Ga[4,4,6]-4:C[6a]-3:C[6]-3:	Ga[4,4,6]-4:C[6a]-3:C[6]-3:	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2{1|Ga<4>,2|C<4>,5|C<3>}	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	94.6911	0.309	4	94.6911	0.096	4	94.6911	0.096	4	94.6911	0.096	4	94.6911	0.096	4	94.8386	0.617	6
878	856	856	6:SP-NON_SP2_SP2	Ga[4,6]	N[6]	N[6]	3:3:2:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:As[4]-2:As[4]-2:	Ga[4,6]-4:C[6a]-3:C[6]-3:	Ga[4,6]-4:C[6a]-3:C[6]-3:	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2{1|Ga<4>,2|C<4>,5|C<3>}	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|As<3>,1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|As<3>,1|H<1>,2|C<4>,4|C<3>}	96.2600	0.000	1	96.2600	0.000	1	96.2600	0.000	1	95.1337	2.537	2	95.1337	2.537	2	94.8386	0.617	6
878	856	856	6:SP-NON_SP2_SP2	Ga[4,6]	N[6]	N[6]	3:3:2:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:S[4]-2:S[4]-2:	Ga[4,6]-4:C[6a]-3:C[6]-3:	Ga[4,6]-4:C[6a]-3:C[6]-3:	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2{2|C<4>,2|N<3>,5|C<3>}	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ga<4>,1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ga<4>,1|H<1>,2|C<4>,4|C<3>}	94.0074	0.000	1	94.0074	0.000	1	94.0074	0.000	1	95.1337	2.537	2	95.1337	2.537	2	94.8386	0.617	6
878	856	866	0:SP-NON_SP2_SP3	Ga[4,6]	N[6]	S[4]	3:3:2:2:	4:3:3:	4:4:	N[6]-3:N[6]-3:S[4]-2:S[4]-2:	Ga[4,6]-4:C[6a]-3:C[6]-3:	Ga[4,6]-4:Ga[4,6]-4:	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	S[4](Ga[4,6]N[6]2S[4])2	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2{2|C<4>,2|N<3>,5|C<3>}	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ga<4>,1|H<1>,2|C<4>,4|C<3>}	S[4](Ga[4,6]N[6]2S[4])2{8|C<3>}	117.0042	0.265	4	117.0042	0.070	4	117.0042	0.070	4	117.0042	0.070	4	117.0042	0.070	4	117.0042	0.070	4
878	856	882	0:SP-NON_SP2_SP3	Ga[4,4,6]	N[6]	P[4x4]	3:3:3:3:	4:3:3:	3:3:4:	N[6]-3:N[6]-3:P[4x4]-3:P[4x4]-3:	Ga[4,4,6]-4:C[6a]-3:C[6]-3:	P[4x4]-3:P[4x4]-3:Ga[4,4,6]-4:	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	P[4x4](P[4x4]Ga[4,4,6]P[4x4])2(Ga[4,4,6]P[4x4]N[6]2)	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2{1|Ga<4>,2|C<4>,5|C<3>}	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	P[4x4](P[4x4]Ga[4,4,6]P[4x4])2(Ga[4,4,6]P[4x4]N[6]2){2|N<3>,4|C<3>}	121.8325	2.535	15	121.8325	6.425	15	121.8325	6.425	15	121.8325	6.425	15	121.8325	6.425	15	121.8325	6.425	15
878	856	978	0:SP-NON_SP2_SP2	Ga[4,6]	N[6]	As[4]	3:3:2:2:	4:3:3:	4:3:	N[6]-3:N[6]-3:As[4]-2:As[4]-2:	Ga[4,6]-4:C[6a]-3:C[6]-3:	Ga[4,6]-4:As[4]-3:	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	As[4](Ga[4,6]As[4]N[6]2)(As[4]As[4]Ga[6])	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2{1|Ga<4>,2|C<4>,5|C<3>}	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|As<3>,1|H<1>,2|C<4>,4|C<3>}	As[4](Ga[4,6]As[4]N[6]2)(As[4]As[4]Ga[6]){1|C<4>,2|N<3>,4|C<3>}	124.6060	6.955	4	124.6060	48.372	4	124.6060	48.372	4	124.6060	48.372	4	124.6060	48.372	4	124.6060	48.372	4
878	856	980	6:SP-NON_SP2_SP3	Ga[4,6]	N[6]	N[4,6,6]	4:3:3:4:	4:3:3:	4:4:4:3:	N[4,6,6]-4:N[4,6]-3:N[6]-3:C-4:	Ga[4,6]-4:C[6]-3:C[6a]-3:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,6]-4:C[6a]-3:	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3)	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2)	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2)	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3){2|C<4>,2|N<3>,2|N<4>,6|C<3>}	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|H<1>,6|C<3>}	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2){3|Ga<4>,2|H<1>,7|C<3>}	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1
878	866	866	4:SP-NON_SP2_SP2	Ga[4]	S[4]	S[4]	2:2:2:2:	3:4:	3:4:	S[4]-2:S[4]-2:S-2:S-2:	C[4]-3:Ga[4]-4:	C[4]-3:Ga[4]-4:	Ga[4](S[4]C[4])2(SC)2	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS)	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS)	Ga[4](S[4]C[4])2(SC)2{1|C<3>}	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS){1|C<3>,1|C<4>}	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS){1|C<3>,1|C<4>}	74.6609	0.000	1	74.6609	0.000	1	74.6609	0.000	1	74.6609	0.000	1	74.6222	0.136	3	74.6222	0.136	3
878	866	866	4:SP-NON_SP2_SP2	Ga[4]	S[4]	S[4]	2:2:2:2:	4:3:	4:3:	S[4]-2:S[4]-2:S-2:S-2:	Ga[4]-4:C[4]-3:	Ga[4]-4:C[4]-3:	Ga[4](S[4]C[4])2(SC)2	S[4](Ga[4]S[4]SS)(C[4]S[4]O)	S[4](Ga[4]S[4]SS)(C[4]S[4]O)	Ga[4](S[4]C[4])2(SC)2{1|O<2>}	S[4](Ga[4]S[4]SS)(C[4]S[4]O)	S[4](Ga[4]S[4]SS)(C[4]S[4]O)	74.2361	0.000	1	74.2361	0.000	1	74.2361	0.000	1	74.2361	0.000	1	74.6222	0.136	3	74.6222	0.136	3
878	866	866	4:SP-NON_SP2_SP2	Ga[4]	S[4]	S[4]	2:2:3:2:	3:4:	3:4:	S[4]-2:S[4]-2:S-3:S-2:	C[4]-3:Ga[4]-4:	C[4]-3:Ga[4]-4:	Ga[4](S[4]C[4])2(SCuC)(SC)	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS)	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS)	Ga[4](S[4]C[4])2(SCuC)(SC){1|C<3>}	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS){1|C<3>,1|C<4>}	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS){1|C<3>,1|C<4>}	74.9695	0.000	1	74.9695	0.000	1	74.9695	0.000	1	74.9695	0.000	1	74.6222	0.136	3	74.6222	0.136	3
878	866	866	4:SP-NON_SP3_SP3	Ga[4,6]	S[4]	S[4]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:S[4]-2:S[4]-2:	Ga[4,6]-4:Ga[4,6]-4:	Ga[4,6]-4:Ga[4,6]-4:	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2	S[4](Ga[4,6]N[6]2S[4])2	S[4](Ga[4,6]N[6]2S[4])2	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2{2|C<4>,2|N<3>,5|C<3>}	S[4](Ga[4,6]N[6]2S[4])2{8|C<3>}	S[4](Ga[4,6]N[6]2S[4])2{8|C<3>}	96.5083	0.000	1	96.5083	0.000	1	96.5083	0.000	1	96.5083	0.000	1	96.5083	0.000	1	96.5083	0.000	1
878	866	909	0:SP-NON_SP2_SP2	Ga[4]	S[4]	S	2:2:2:2:	3:4:	4:3:	S[4]-2:S[4]-2:S-2:S-2:	C[4]-3:Ga[4]-4:	Ga[4]-4:C-3:	Ga[4](S[4]C[4])2(SC)2	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS)	S(Ga[4]S[4]2S)(CC[5]S)	Ga[4](S[4]C[4])2(SC)2{1|C<3>}	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS){1|C<3>,1|C<4>}	S(Ga[4]S[4]2S)(CC[5]S)	109.3340	8.473	4	109.3340	71.786	4	109.3340	71.786	4	109.3340	71.786	4	111.3642	407.554	10	111.3642	407.554	10
878	866	909	0:SP-NON_SP2_SP2	Ga[4]	S[4]	S	2:2:2:2:	4:3:	4:3:	S[4]-2:S[4]-2:S-2:S-2:	Ga[4]-4:C[4]-3:	Ga[4]-4:C-3:	Ga[4](S[4]C[4])2(SC)2	S[4](Ga[4]S[4]SS)(C[4]S[4]O)	S(Ga[4]S[4]2S)(COS)	Ga[4](S[4]C[4])2(SC)2{1|O<2>}	S[4](Ga[4]S[4]SS)(C[4]S[4]O)	S(Ga[4]S[4]2S)(COS)	114.1199	33.574	4	114.1199	1127.184	4	114.1199	1127.184	4	114.1199	1127.184	4	111.3642	407.554	10	111.3642	407.554	10
878	866	909	0:SP-NON_SP2_SP2	Ga[4]	S[4]	S	2:2:3:2:	3:4:	4:3:	S[4]-2:S[4]-2:S-3:S-2:	C[4]-3:Ga[4]-4:	Ga[4]-4:C-3:	Ga[4](S[4]C[4])2(SCuC)(SC)	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS)	S(Ga[4]S[4]2S)(CC[5]S)	Ga[4](S[4]C[4])2(SCuC)(SC){1|C<3>}	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS){1|C<3>,1|C<4>}	S(Ga[4]S[4]2S)(CC[5]S)	109.9130	4.472	2	109.9130	19.996	2	109.9130	19.996	2	109.9130	19.996	2	111.3642	407.554	10	111.3642	407.554	10
878	878	878	0:SP-NON_SP-NON_SP-NON	Ga[4]	Ga[4]	Ga[4]	3:3:4:4:	4:3:3:1:	4:3:3:1:	N[4]-3:N[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4]-4:N[4]-3:N[4]-3:I-1:	Ga[4]-4:N[4]-3:N[4]-3:I-1:	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I)	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I)	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2{2|C<3>,2|H<1>,9|C<4>}	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I){1|C<3>,1|I<1>,2|H<1>,2|N<3>,7|C<4>}	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I){1|C<3>,1|I<1>,2|H<1>,2|N<3>,7|C<4>}	121.1820	1.445	2	121.1820	2.089	2	121.1820	2.089	2	121.1820	2.089	2	121.1820	2.089	2	121.1820	2.089	2
878	878	944	0:SP-NON_SP-NON_SP-NON	Ga[4]	Ga[4]	I	3:3:4:1:	3:3:4:1:	4:	N[4]-3:N[4]-3:Ga[4]-4:I-1:	N[4]-3:N[4]-3:Ga[4]-4:I-1:	Ga[4]-4:	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I)	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I)	I(Ga[4]Ga[4]N[4]2)	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I){1|C<4>,7|C<3>}	Ga[4](N[4]C[6a]C[4])2(Ga[4]N[4]2I)(I){1|C<4>,7|C<3>}	I(Ga[4]Ga[4]N[4]2)	120.6510	0.000	1	120.6510	0.000	1	120.6510	0.000	1	120.6510	0.000	1	114.1350	17.779	5	114.1350	17.779	5
878	878	944	0:SP-NON_SP-NON_SP-NON	Ga[4]	Ga[4]	I	4:3:3:1:	3:3:4:4:	4:	Ga[4]-4:N[4]-3:N[4]-3:I-1:	N[4]-3:N[4]-3:Ga[4]-4:Ga[4]-4:	Ga[4]-4:	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I)	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2	I(Ga[4]Ga[4]N[4]2)	Ga[4](Ga[4]Ga[4]N[4]2)(N[4]C[4]C[6])2(I){1|C<3>,1|I<1>,2|H<1>,2|N<3>,7|C<4>}	Ga[4](N[4]C[4]C[6])2(Ga[4]N[4]2I)2{2|C<3>,2|H<1>,9|C<4>}	I(Ga[4]Ga[4]N[4]2)	112.5060	2.452	4	112.5060	6.015	4	112.5060	6.015	4	112.5060	6.015	4	114.1350	17.779	5	114.1350	17.779	5
878	879	879	4:SP-NON_SP-NON_SP-NON	Ga[4]	Cl[4]	Cl[4]	2:2:1:1:	4:4:	4:4:	Cl[4]-2:Cl[4]-2:Cl-1:H-1:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](Cl[4]Ga[4])2(Cl)(H)	Cl[4](Ga[4]Cl[4]ClH)2	Cl[4](Ga[4]Cl[4]ClH)2	Ga[4](Cl[4]Ga[4])2(Cl)(H){1|Cl<1>,1|H<1>}	Cl[4](Ga[4]Cl[4]ClH)2	Cl[4](Ga[4]Cl[4]ClH)2	89.4675	0.000	1	89.4675	0.000	1	89.4675	0.000	1	89.4675	0.000	1	87.7807	2.887	22	87.7807	2.887	22
878	879	879	4:SP-NON_SP-NON_SP-NON	Ga[4]	Cl[4]	Cl[4]	2:2:3:1:	4:4:	4:4:	Cl[4]-2:Cl[4]-2:C-3:Cl-1:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl)	Cl[4](Ga[4]Cl[4]ClC)2	Cl[4](Ga[4]Cl[4]ClC)2	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl){1|Cl<1>,1|C<3>}	Cl[4](Ga[4]Cl[4]ClC)2	Cl[4](Ga[4]Cl[4]ClC)2	88.4006	0.717	14	88.4006	0.514	14	88.4006	0.514	14	88.4006	0.514	14	87.7807	2.887	22	87.7807	2.887	22
878	879	879	4:SP-NON_SP-NON_SP-NON	Ga[4]	Cl[4]	Cl[4]	3:4:2:2:	4:4:	4:4:	C[6a]-3:C[5]-4:Cl[4]-2:Cl[4]-2:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2	Cl[4](Ga[4]C[6a]Cl[4]C[5])2	Cl[4](Ga[4]C[6a]Cl[4]C[5])2	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2{2|F<1>,3|C<4>,5|C<3>}	Cl[4](Ga[4]C[6a]Cl[4]C[5])2{2|C<4>,8|C<3>}	Cl[4](Ga[4]C[6a]Cl[4]C[5])2{2|C<4>,8|C<3>}	87.3308	0.363	2	87.3308	0.131	2	87.3308	0.131	2	87.3308	0.131	2	87.7807	2.887	22	87.7807	2.887	22
878	879	879	4:SP-NON_SP-NON_SP-NON	Ga[4]	Cl[4]	Cl[4]	4:2:2:1:	4:4:	4:4:	C[5]-4:Cl[4]-2:Cl[4]-2:Cl-1:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl)	Cl[4](Ga[4]Cl[4]C[5]Cl)2	Cl[4](Ga[4]Cl[4]C[5]Cl)2	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Cl[4](Ga[4]Cl[4]C[5]Cl)2{2|C<4>,4|C<3>}	Cl[4](Ga[4]Cl[4]C[5]Cl)2{2|C<4>,4|C<3>}	87.0590	0.172	2	87.0590	0.030	2	87.0590	0.030	2	87.7041	1.263	3	87.7807	2.887	22	87.7807	2.887	22
878	879	879	4:SP-NON_SP-NON_SP-NON	Ga[4]	Cl[4]	Cl[4]	4:2:2:1:	4:4:	4:4:	C[6]-4:Cl[4]-2:Cl[4]-2:Cl-1:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl)	Cl[4](Ga[4]Cl[4]C[6]Cl)2	Cl[4](Ga[4]Cl[4]C[6]Cl)2	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl){1|Br<2>,3|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Cl[4](Ga[4]Cl[4]C[6]Cl)2{2|Ga<4>,2|Si<4>,2|C<4>}	Cl[4](Ga[4]Cl[4]C[6]Cl)2{2|Ga<4>,2|Si<4>,2|C<4>}	88.9944	0.000	1	88.9944	0.000	1	88.9944	0.000	1	87.7041	1.263	3	87.7807	2.887	22	87.7807	2.887	22
878	879	879	4:SP-NON_SP-NON_SP-NON	Ga[4]	Cl[4]	Cl[4]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[5]-4:Cl[4]-2:Cl[4]-2:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2	Cl[4](Ga[4]Cl[4]C[5]2)2	Cl[4](Ga[4]Cl[4]C[5]2)2	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2{4|C<3>,6|C<4>}	Cl[4](Ga[4]Cl[4]C[5]2)2{4|C<4>,8|C<3>}	Cl[4](Ga[4]Cl[4]C[5]2)2{4|C<4>,8|C<3>}	83.1635	0.090	2	83.1635	0.008	2	83.1635	0.008	2	83.1635	0.008	2	87.7807	2.887	22	87.7807	2.887	22
878	879	930	0:SP-NON_SP-NON_SP2	Ga[4]	Cl[4]	C	2:2:3:1:	4:4:	4:3:4:	Cl[4]-2:Cl[4]-2:C-3:Cl-1:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:C-3:Si-4:	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl)	Cl[4](Ga[4]Cl[4]ClC)2	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl){1|Cl<1>,1|C<3>}	Cl[4](Ga[4]Cl[4]ClC)2	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	111.9815	1.609	28	111.9815	2.589	28	111.9815	2.589	28	111.9815	2.589	28	111.9815	2.589	28	111.9815	2.589	28
878	879	951	0:SP-NON_SP-NON_SP-NON	Ga[4]	Cl[4]	H	2:2:1:1:	4:4:	4:	Cl[4]-2:Cl[4]-2:Cl-1:H-1:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:	Ga[4](Cl[4]Ga[4])2(Cl)(H)	Cl[4](Ga[4]Cl[4]ClH)2	H(Ga[4]Cl[4]2Cl)	Ga[4](Cl[4]Ga[4])2(Cl)(H){1|Cl<1>,1|H<1>}	Cl[4](Ga[4]Cl[4]ClH)2	H(Ga[4]Cl[4]2Cl)	113.1370	1.203	2	113.1370	1.448	2	113.1370	1.448	2	113.1370	1.448	2	113.1370	1.448	2	113.1370	1.448	2
878	882	882	4:SP-NON_SP3_SP3	Ga[4,4,6]	P[4x4]	P[4x4]	3:3:3:3:	3:3:4:	3:3:4:	N[6]-3:N[6]-3:P[4x4]-3:P[4x4]-3:	P[4x4]-3:P[4x4]-3:Ga[4,4,6]-4:	P[4x4]-3:P[4x4]-3:Ga[4,4,6]-4:	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2	P[4x4](P[4x4]Ga[4,4,6]P[4x4])2(Ga[4,4,6]P[4x4]N[6]2)	P[4x4](P[4x4]Ga[4,4,6]P[4x4])2(Ga[4,4,6]P[4x4]N[6]2)	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2{1|Ga<4>,2|C<4>,5|C<3>}	P[4x4](P[4x4]Ga[4,4,6]P[4x4])2(Ga[4,4,6]P[4x4]N[6]2){2|N<3>,4|C<3>}	P[4x4](P[4x4]Ga[4,4,6]P[4x4])2(Ga[4,4,6]P[4x4]N[6]2){2|N<3>,4|C<3>}	78.2869	0.124	4	78.2869	0.015	4	78.2869	0.015	4	78.2869	0.015	4	78.2869	0.015	4	83.1769	43.562	11
878	882	882	4:SP-NON_SP3_SP3	Ga[4]	P[4]	P[4]	3:3:3:1:	4:4:4:	4:4:4:	P[4]-3:P[4]-3:C[5]-3:H-1:	Ga[4]-4:Ga[4]-4:Si-4:	Ga[4]-4:Ga[4]-4:Si-4:	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H)	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C)	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C)	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H){1|H<1>,2|C<4>,3|C<3>}	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C){1|Si<4>,4|N<3>}	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C){1|Si<4>,4|N<3>}	88.7246	1.035	4	88.7246	1.072	4	88.7246	1.072	4	88.7246	1.072	4	85.9712	47.545	7	83.1769	43.562	11
878	882	882	4:SP-NON_SP3_SP3	Ga[4]	P[4]	P[4]	3:3:4:1:	4:4:4:	4:4:4:	P[4]-3:P[4]-3:N-4:H-1:	Ga[4]-4:Ga[4]-4:Si-4:	Ga[4]-4:Ga[4]-4:Si-4:	Ga[4](P[4]Ga[4]Si)2(NC3)(H)	P[4](Ga[4]P[4]HN)2(SiC[6a]2C)	P[4](Ga[4]P[4]HN)2(SiC[6a]2C)	Ga[4](P[4]Ga[4]Si)2(NC3)(H){1|H<1>,1|N<4>}	P[4](Ga[4]P[4]HN)2(SiC[6a]2C){1|Si<4>}	P[4](Ga[4]P[4]HN)2(SiC[6a]2C){1|Si<4>}	94.1666	0.000	1	94.1666	0.000	1	94.1666	0.000	1	94.1666	0.000	1	85.9712	47.545	7	83.1769	43.562	11
878	882	882	4:SP-NON_SP3_SP3	Ga[4]	P[4]	P[4]	3:3:4:4:	4:4:3:	4:4:3:	P[4]-3:P[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:C[5]-3:	Ga[4]-4:Ga[4]-4:C[5]-3:	Ga[4](P[4]Ga[4]C[5])2(CC3)2	P[4](Ga[4]P[4]CC)2(C[5]N[5]2)	P[4](Ga[4]P[4]CC)2(C[5]N[5]2)	Ga[4](P[4]Ga[4]C[5])2(CC3)2{2|C<4>,4|N<3>}	P[4](Ga[4]P[4]CC)2(C[5]N[5]2){2|C<4>,3|C<3>}	P[4](Ga[4]P[4]CC)2(C[5]N[5]2){2|C<4>,3|C<3>}	76.3666	0.261	2	76.3666	0.068	2	76.3666	0.068	2	76.3666	0.068	2	85.9712	47.545	7	83.1769	43.562	11
878	882	892	0:SP-NON_SP3_SP3	Ga[4]	P[4]	N	3:3:4:1:	4:4:4:	4:4:4:4:	P[4]-3:P[4]-3:N-4:H-1:	Ga[4]-4:Ga[4]-4:Si-4:	Ga[4]-4:C-4:C-4:C-4:	Ga[4](P[4]Ga[4]Si)2(NC3)(H)	P[4](Ga[4]P[4]HN)2(SiC[6a]2C)	N(Ga[4]P[4]2H)(CH3)3	Ga[4](P[4]Ga[4]Si)2(NC3)(H){1|H<1>,1|N<4>}	P[4](Ga[4]P[4]HN)2(SiC[6a]2C){1|Si<4>}	N(Ga[4]P[4]2H)(CH3)3	105.4540	0.733	2	105.4540	0.537	2	105.4540	0.537	2	105.4540	0.537	2	105.4540	0.537	2	105.4540	0.537	2
878	882	951	0:SP-NON_SP-NON_SP3	Ga[4]	P[4]	H	3:3:3:1:	4:4:4:	4:	P[4]-3:P[4]-3:C[5]-3:H-1:	Ga[4]-4:Ga[4]-4:Si-4:	Ga[4]-4:	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H)	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C)	H(Ga[4]C[5]P[4]2)	Ga[4](P[4]Ga[4]Si)2(C[5]N[5]2)(H){1|H<1>,2|C<4>,3|C<3>}	P[4](Ga[4]C[5]P[4]H)2(SiC[6a]2C){1|Si<4>,4|N<3>}	H(Ga[4]C[5]P[4]2)	120.1289	3.309	8	120.1289	10.947	8	120.1289	10.947	8	120.1289	10.947	8	121.3918	15.825	10	121.3918	15.825	10
878	882	951	0:SP-NON_SP-NON_SP3	Ga[4]	P[4]	H	3:3:4:1:	4:4:4:	4:	P[4]-3:P[4]-3:N-4:H-1:	Ga[4]-4:Ga[4]-4:Si-4:	Ga[4]-4:	Ga[4](P[4]Ga[4]Si)2(NC3)(H)	P[4](Ga[4]P[4]HN)2(SiC[6a]2C)	H(Ga[4]P[4]2N)	Ga[4](P[4]Ga[4]Si)2(NC3)(H){1|H<1>,1|N<4>}	P[4](Ga[4]P[4]HN)2(SiC[6a]2C){1|Si<4>}	H(Ga[4]P[4]2N)	126.4435	1.414	2	126.4435	1.998	2	126.4435	1.998	2	126.4435	1.998	2	121.3918	15.825	10	121.3918	15.825	10
878	892	951	0:SP-NON_SP-NON_SP3	Ga[4]	N	H	3:3:4:1:	4:4:4:4:	4:	P[4]-3:P[4]-3:N-4:H-1:	Ga[4]-4:C-4:C-4:C-4:	Ga[4]-4:	Ga[4](P[4]Ga[4]Si)2(NC3)(H)	N(Ga[4]P[4]2H)(CH3)3	H(Ga[4]P[4]2N)	Ga[4](P[4]Ga[4]Si)2(NC3)(H){1|H<1>,1|N<4>}	N(Ga[4]P[4]2H)(CH3)3	H(Ga[4]P[4]2N)	96.2088	0.000	1	96.2088	0.000	1	96.2088	0.000	1	96.2088	0.000	1	96.2088	0.000	1	96.2088	0.000	1
878	893	893	0:SP-NON_SP3_SP3	Ga[4]	O	O	3:3:2:2:	4:4:	4:4:	O[4]-3:O[4]-3:O-2:O-2:	Ga[4]-4:C-4:	Ga[4]-4:C-4:	Ga[4](O[4]Ga[3x4]C)2(OC)2	O(Ga[4]O[4]2O)(CCHH)	O(Ga[4]O[4]2O)(CCHH)	Ga[4](O[4]Ga[3x4]C)2(OC)2{4|O<3>}	O(Ga[4]O[4]2O)(CCHH)	O(Ga[4]O[4]2O)(CCHH)	144.6990	1.669	2	144.6990	2.785	2	144.6990	2.785	2	144.6990	2.785	2	144.6990	2.785	2	144.6990	2.785	2
878	893	897	0:SP-NON_SP3_SP3	Ga[4]	O	O[4]	3:3:2:2:	4:4:	6:4:4:	O[4]-3:O[4]-3:O-2:O-2:	Ga[4]-4:C-4:	Ga[3x4]-6:Ga[4]-4:C-4:	Ga[4](O[4]Ga[3x4]C)2(OC)2	O(Ga[4]O[4]2O)(CCHH)	O[4](Ga[3x4]O[4]5)(Ga[4]O[4]OO)(CCHH)	Ga[4](O[4]Ga[3x4]C)2(OC)2{4|O<3>}	O(Ga[4]O[4]2O)(CCHH)	O[4](Ga[3x4]O[4]5)(Ga[4]O[4]OO)(CCHH){2|Ga<4>,5|C<4>}	104.2202	6.819	6	104.2202	46.497	6	104.2202	46.497	6	104.2202	46.497	6	104.2202	46.497	6	104.2202	46.497	6
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4,5]	O[4,5]	3:3:1:1:	5:4:3:	5:4:3:	O[4,5]-3:O[4,5]-3:I-1:I-1:	Ga[4,4,5,5]-5:Ga[4]-4:C[5]-3:	Ga[4,4,5,5]-5:Ga[4]-4:C[5]-3:	Ga[4](O[4,5]Ga[4,4,5,5]C[5])2(I)2	O[4,5](Ga[4,4,5,5]O[4,5]3I)(Ga[4]O[4,5]II)(C[5]C[6a]C[5])	O[4,5](Ga[4,4,5,5]O[4,5]3I)(Ga[4]O[4,5]II)(C[5]C[6a]C[5])	Ga[4](O[4,5]Ga[4,4,5,5]C[5])2(I)2{1|I<1>,2|O<3>,4|C<3>}	O[4,5](Ga[4,4,5,5]O[4,5]3I)(Ga[4]O[4,5]II)(C[5]C[6a]C[5]){1|Ga<4>,5|C<3>}	O[4,5](Ga[4,4,5,5]O[4,5]3I)(Ga[4]O[4,5]II)(C[5]C[6a]C[5]){1|Ga<4>,5|C<3>}	79.9655	1.159	2	79.9655	1.342	2	79.9655	1.342	2	79.9655	1.342	2	79.9655	1.342	2	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:2:2:	6:4:4:	6:4:4:	O[4]-3:O[4]-3:O-2:O-2:	Ga[3x4]-6:Ga[4]-4:C-4:	Ga[3x4]-6:Ga[4]-4:C-4:	Ga[4](O[4]Ga[3x4]C)2(OC)2	O[4](Ga[3x4]O[4]5)(Ga[4]O[4]OO)(CCHH)	O[4](Ga[3x4]O[4]5)(Ga[4]O[4]OO)(CCHH)	Ga[4](O[4]Ga[3x4]C)2(OC)2{4|O<3>}	O[4](Ga[3x4]O[4]5)(Ga[4]O[4]OO)(CCHH){2|Ga<4>,5|C<4>}	O[4](Ga[3x4]O[4]5)(Ga[4]O[4]OO)(CCHH){2|Ga<4>,5|C<4>}	74.2489	0.337	2	74.2489	0.114	2	74.2489	0.114	2	74.2489	0.114	2	77.4874	9.549	14	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:3:3:	4:4:4:	4:4:4:	C[6a]-3:C[6a]-3:O[4]-3:O[4]-3:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](C[6a]C[6a]2)2(O[4]Ga[4]C)2	O[4](Ga[4]C[6a]2O[4])2(CC[6a]HH)	O[4](Ga[4]C[6a]2O[4])2(CC[6a]HH)	Ga[4](C[6a]C[6a]2)2(O[4]Ga[4]C)2{4|F<1>,6|C<3>}	O[4](Ga[4]C[6a]2O[4])2(CC[6a]HH){1|C<4>,8|C<3>}	O[4](Ga[4]C[6a]2O[4])2(CC[6a]HH){1|C<4>,8|C<3>}	78.6777	0.000	1	78.6777	0.000	1	78.6777	0.000	1	78.6777	0.000	1	77.4874	9.549	14	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:4:4:	4:4:3:	4:4:3:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:B-3:	Ga[4]-4:Ga[4]-4:B-3:	Ga[4](O[4]Ga[4]B)2(CH3)2	O[4](Ga[4]O[4]CC)2(BC[6a]O)	O[4](Ga[4]O[4]CC)2(BC[6a]O)	Ga[4](O[4]Ga[4]B)2(CH3)2{2|C<4>}	O[4](Ga[4]O[4]CC)2(BC[6a]O){1|B<3>}	O[4](Ga[4]O[4]CC)2(BC[6a]O){1|B<3>}	78.9829	0.000	1	78.9829	0.000	1	78.9829	0.000	1	76.6752	4.231	3	77.4874	9.549	14	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:4:4:	4:4:3:	4:4:3:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:C[6a]-3:	Ga[4]-4:Ga[4]-4:C[6a]-3:	Ga[4](O[4]C[6a]Ga[4])2(CCHH)2	O[4](Ga[4]O[4]CC)2(C[6a]C[6a]2)	O[4](Ga[4]O[4]CC)2(C[6a]C[6a]2)	Ga[4](O[4]C[6a]Ga[4])2(CCHH)2{2|C<4>,4|C<3>}	O[4](Ga[4]O[4]CC)2(C[6a]C[6a]2){5|C<3>}	O[4](Ga[4]O[4]CC)2(C[6a]C[6a]2){5|C<3>}	75.5213	0.688	2	75.5213	0.474	2	75.5213	0.474	2	76.6752	4.231	3	77.4874	9.549	14	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:4:4:	4:4:4:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CC3)2	O[4](Ga[4]O[4]CC)2(CCHH)	O[4](Ga[4]O[4]CC)2(CCHH)	Ga[4](O[4]Ga[4]C)2(CC3)2{2|C<4>}	O[4](Ga[4]O[4]CC)2(CCHH){1|C<4>}	O[4](Ga[4]O[4]CC)2(CCHH){1|C<4>}	76.8643	0.000	1	76.8643	0.000	1	77.9171	11.278	7	78.4528	11.962	8	77.4874	9.549	14	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:4:4:	4:4:4:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CH3)2	O[4](Ga[4]O[4]CC)2(CCCH)	O[4](Ga[4]O[4]CC)2(CCCH)	Ga[4](O[4]Ga[4]C)2(CH3)2{2|C<4>}	O[4](Ga[4]O[4]CC)2(CCCH){1|C<4>}	O[4](Ga[4]O[4]CC)2(CCCH){1|C<4>}	75.6244	0.218	2	75.6244	0.047	2	77.9171	11.278	7	78.4528	11.962	8	77.4874	9.549	14	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:4:4:	4:4:4:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CH3)2	O[4](Ga[4]O[4]CC)2(CCHH)	O[4](Ga[4]O[4]CC)2(CCHH)	Ga[4](O[4]Ga[4]C)2(CH3)2{2|C<4>}	O[4](Ga[4]O[4]CC)2(CCHH){1|C<4>}	O[4](Ga[4]O[4]CC)2(CCHH){1|C<4>}	80.8838	0.000	1	80.8838	0.000	1	77.9171	11.278	7	78.4528	11.962	8	77.4874	9.549	14	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:4:4:	4:4:4:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CH3)2	O[4](Ga[4]O[4]CC)2(CC[6a]CH)	O[4](Ga[4]O[4]CC)2(CC[6a]CH)	Ga[4](O[4]Ga[4]C)2(CH3)2{2|C<4>}	O[4](Ga[4]O[4]CC)2(CC[6a]CH){1|C<4>}	O[4](Ga[4]O[4]CC)2(CC[6a]CH){1|C<4>}	73.3417	0.000	1	73.3417	0.000	1	77.9171	11.278	7	78.4528	11.962	8	77.4874	9.549	14	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:4:4:	4:4:4:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:	Ga[4](O[4]Ga[4]C)2(CSiHH)2	O[4](Ga[4]O[4]CC)2(CSiHH)	O[4](Ga[4]O[4]CC)2(CSiHH)	Ga[4](O[4]Ga[4]C)2(CSiHH)2{2|C<4>}	O[4](Ga[4]O[4]CC)2(CSiHH){1|C<4>}	O[4](Ga[4]O[4]CC)2(CSiHH){1|C<4>}	81.5407	0.067	2	81.5407	0.004	2	77.9171	11.278	7	78.4528	11.962	8	77.4874	9.549	14	77.7971	9.082	16
878	897	897	4:SP-NON_SP3_SP3	Ga[4]	O[4]	O[4]	3:3:4:4:	4:4:4:	4:4:4:	O[4]-3:O[4]-3:C-4:C-4:	Si-4:Ga[4]-4:Ga[4]-4:	Si-4:Ga[4]-4:Ga[4]-4:	Ga[4](O[4]Ga[4]Si)2(CH3)2	O[4](SiC[6a]2C[6])(Ga[4]O[4]CC)2	O[4](SiC[6a]2C[6])(Ga[4]O[4]CC)2	Ga[4](O[4]Ga[4]Si)2(CH3)2{2|C<4>}	O[4](SiC[6a]2C[6])(Ga[4]O[4]CC)2{1|Si<4>}	O[4](SiC[6a]2C[6])(Ga[4]O[4]CC)2{1|Si<4>}	82.2021	0.000	1	82.2021	0.000	1	82.2021	0.000	1	78.4528	11.962	8	77.4874	9.549	14	77.7971	9.082	16
878	897	944	0:SP-NON_SP-NON_SP3	Ga[4]	O[4,5]	I	3:3:1:1:	5:4:3:	4:	O[4,5]-3:O[4,5]-3:I-1:I-1:	Ga[4,4,5,5]-5:Ga[4]-4:C[5]-3:	Ga[4]-4:	Ga[4](O[4,5]Ga[4,4,5,5]C[5])2(I)2	O[4,5](Ga[4,4,5,5]O[4,5]3I)(Ga[4]O[4,5]II)(C[5]C[6a]C[5])	I(Ga[4]O[4,5]2I)	Ga[4](O[4,5]Ga[4,4,5,5]C[5])2(I)2{1|I<1>,2|O<3>,4|C<3>}	O[4,5](Ga[4,4,5,5]O[4,5]3I)(Ga[4]O[4,5]II)(C[5]C[6a]C[5]){1|Ga<4>,5|C<3>}	I(Ga[4]O[4,5]2I)	111.8439	2.444	8	111.8439	5.972	8	111.8439	5.972	8	111.8439	5.972	8	111.8439	5.972	8	111.8439	5.972	8
878	909	909	0:SP-NON_SP2_SP2	Ga[4]	S	S	2:2:2:2:	4:3:	4:3:	S[4]-2:S[4]-2:S-2:S-2:	Ga[4]-4:C-3:	Ga[4]-4:C-3:	Ga[4](S[4]C[4])2(SC)2	S(Ga[4]S[4]2S)(CC[5]S)	S(Ga[4]S[4]2S)(CC[5]S)	Ga[4](S[4]C[4])2(SC)2{1|C<3>}	S(Ga[4]S[4]2S)(CC[5]S)	S(Ga[4]S[4]2S)(CC[5]S)	127.7110	0.000	1	127.7110	0.000	1	113.0806	428.094	2	113.0806	428.094	2	113.0806	428.094	2	113.0806	428.094	2
878	909	909	0:SP-NON_SP2_SP2	Ga[4]	S	S	2:2:2:2:	4:3:	4:3:	S[4]-2:S[4]-2:S-2:S-2:	Ga[4]-4:C-3:	Ga[4]-4:C-3:	Ga[4](S[4]C[4])2(SC)2	S(Ga[4]S[4]2S)(COS)	S(Ga[4]S[4]2S)(COS)	Ga[4](S[4]C[4])2(SC)2{1|O<2>}	S(Ga[4]S[4]2S)(COS)	S(Ga[4]S[4]2S)(COS)	98.4503	0.000	1	98.4503	0.000	1	113.0806	428.094	2	113.0806	428.094	2	113.0806	428.094	2	113.0806	428.094	2
878	913	913	4:SP-NON_SP-NON_SP-NON	Ga[4]	Ga[4]	Ga[4]	3:3:3:3:	4:4:3:	4:4:3:	Ga[4]-3:Ga[4]-3:P-3:P-3:	Ga[4]-4:P[4]-4:P-3:	Ga[4]-4:P[4]-4:P-3:	Ga[4](Ga[4]P[4]P)2(PCC)2	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC)	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC)	Ga[4](Ga[4]P[4]P)2(PCC)2{2|C<4>}	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC){1|P<3>}	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC){1|P<3>}	86.7989	0.000	1	86.7989	0.000	1	86.7989	0.000	1	86.7989	0.000	1	86.7989	0.000	1	86.7989	0.000	1
878	913	945	0:SP-NON_SP-NON_SP3	Ga[4]	Ga[4]	P	3:3:3:3:	4:4:3:	4:4:4:	Ga[4]-3:Ga[4]-3:P-3:P-3:	Ga[4]-4:P[4]-4:P-3:	Ga[4]-4:C-4:C-4:	Ga[4](Ga[4]P[4]P)2(PCC)2	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC)	P(Ga[4]Ga[4]2P)(CC3)2	Ga[4](Ga[4]P[4]P)2(PCC)2{2|C<4>}	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC){1|P<3>}	P(Ga[4]Ga[4]2P)(CC3)2	107.6936	34.107	4	107.6936	1163.292	4	107.6936	1163.292	4	107.6936	1163.292	4	107.6936	1163.292	4	107.6936	1163.292	4
878	917	917	4:SP-NON_SP3_SP3	Ga[4]	P[4]	P[4]	4:4:4:4:	4:4:4:1:	4:4:4:1:	P[4]-4:P[4]-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](P[4]Ga[4]CH)2(CC3)2	P[4](Ga[4]P[4]CC)2(CC3)(H)	P[4](Ga[4]P[4]CC)2(CC3)(H)	Ga[4](P[4]Ga[4]CH)2(CC3)2{2|C<4>}	P[4](Ga[4]P[4]CC)2(CC3)(H){1|C<4>,1|H<1>}	P[4](Ga[4]P[4]CC)2(CC3)(H){1|C<4>,1|H<1>}	79.5411	0.000	1	79.5411	0.000	1	79.5411	0.000	1	79.5411	0.000	1	79.5411	0.000	1	79.5411	0.000	1
878	918	918	4:SP-NON_SP-NON_SP-NON	Ga[4]	I[4]	I[4]	4:2:2:1:	4:4:	4:4:	C[5]-4:I[4]-2:I[4]-2:I-1:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:Ga[4]-4:	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I)	I[4](Ga[4]C[5]I[4]I)2	I[4](Ga[4]C[5]I[4]I)2	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	I[4](Ga[4]C[5]I[4]I)2{2|C<4>,4|C<3>}	I[4](Ga[4]C[5]I[4]I)2{2|C<4>,4|C<3>}	90.1106	0.091	2	90.1106	0.008	2	90.1106	0.008	2	90.1106	0.008	2	90.1106	0.008	2	90.1106	0.008	2
878	918	944	0:SP-NON_SP-NON_SP-NON	Ga[4]	I[4]	I	4:2:2:1:	4:4:	4:	C[5]-4:I[4]-2:I[4]-2:I-1:	Ga[4]-4:Ga[4]-4:	Ga[4]-4:	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I)	I[4](Ga[4]C[5]I[4]I)2	I(Ga[4]C[5]I[4]2)	Ga[4](C[5]C[5]2C)(I[4]Ga[4])2(I){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	I[4](Ga[4]C[5]I[4]I)2{2|C<4>,4|C<3>}	I(Ga[4]C[5]I[4]2)	103.1322	1.991	4	103.1322	3.966	4	103.1322	3.966	4	103.1322	3.966	4	103.1322	3.966	4	103.1322	3.966	4
878	944	944	0:SP-NON_SP-NON_SP-NON	Ga[4]	I	I	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:I-1:I-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]C[4]C[6])2(I)2	I(Ga[4]N[4]2I)	I(Ga[4]N[4]2I)	Ga[4](N[4]C[4]C[6])2(I)2{2|H<1>,5|C<4>}	I(Ga[4]N[4]2I)	I(Ga[4]N[4]2I)	111.8160	0.000	1	111.8160	0.000	1	109.1925	13.766	2	115.5132	57.954	4	115.5132	57.954	4	115.5132	57.954	4
878	944	944	0:SP-NON_SP-NON_SP-NON	Ga[4]	I	I	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:I-1:I-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]C[6a]C[4])2(I)2	I(Ga[4]N[4]2I)	I(Ga[4]N[4]2I)	Ga[4](N[4]C[6a]C[4])2(I)2{1|N<3>,4|C<3>}	I(Ga[4]N[4]2I)	I(Ga[4]N[4]2I)	106.5690	0.000	1	106.5690	0.000	1	109.1925	13.766	2	115.5132	57.954	4	115.5132	57.954	4	115.5132	57.954	4
878	944	944	0:SP-NON_SP-NON_SP-NON	Ga[4]	I	I	3:3:1:1:	4:	4:	O[4,5]-3:O[4,5]-3:I-1:I-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](O[4,5]Ga[4,4,5,5]C[5])2(I)2	I(Ga[4]O[4,5]2I)	I(Ga[4]O[4,5]2I)	Ga[4](O[4,5]Ga[4,4,5,5]C[5])2(I)2{1|I<1>,2|O<3>,4|C<3>}	I(Ga[4]O[4,5]2I)	I(Ga[4]O[4,5]2I)	121.8340	0.537	2	121.8340	0.289	2	121.8340	0.289	2	115.5132	57.954	4	115.5132	57.954	4	115.5132	57.954	4
878	945	945	0:SP-NON_SP3_SP3	Ga[4]	P	P	3:3:3:3:	4:4:4:	4:4:4:	Ga[4]-3:Ga[4]-3:P-3:P-3:	Ga[4]-4:C-4:C-4:	Ga[4]-4:C-4:C-4:	Ga[4](Ga[4]P[4]P)2(PCC)2	P(Ga[4]Ga[4]2P)(CC3)2	P(Ga[4]Ga[4]2P)(CC3)2	Ga[4](Ga[4]P[4]P)2(PCC)2{2|C<4>}	P(Ga[4]Ga[4]2P)(CC3)2	P(Ga[4]Ga[4]2P)(CC3)2	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1
878	951	951	0:SP-NON_SP-NON_SP-NON	Ga[4]	H	H	4:4:1:1:	4:	4:	N[4,6]-4:N[4,6]-4:H-1:H-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4,6]Ga[4]C[6]2)2(H)2	H(Ga[4]N[4,6]2H)	H(Ga[4]N[4,6]2H)	Ga[4](N[4,6]Ga[4]C[6]2)2(H)2{10|H<1>,4|C<4>}	H(Ga[4]N[4,6]2H)	H(Ga[4]N[4,6]2H)	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	122.5330	79.726	5	122.5330	79.726	5	122.5330	79.726	5
878	951	951	0:SP-NON_SP-NON_SP-NON	Ga[4]	H	H	4:4:1:1:	4:	4:	N[4]-4:N[4]-4:H-1:H-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]CH)2(H)2	H(Ga[4]N[4]2H)	H(Ga[4]N[4]2H)	Ga[4](N[4]Ga[4]CH)2(H)2{2|H<1>}	H(Ga[4]N[4]2H)	H(Ga[4]N[4]2H)	114.8515	7.645	2	114.8515	58.439	2	122.6683	106.179	4	122.5330	79.726	5	122.5330	79.726	5	122.5330	79.726	5
878	951	951	0:SP-NON_SP-NON_SP-NON	Ga[4]	H	H	4:4:1:1:	4:	4:	N[4]-4:N[4]-4:H-1:H-1:	Ga[4]-4:	Ga[4]-4:	Ga[4](N[4]Ga[4]HN)2(H)2	H(Ga[4]N[4]2H)	H(Ga[4]N[4]2H)	Ga[4](N[4]Ga[4]HN)2(H)2{2|H<1>}	H(Ga[4]N[4]2H)	H(Ga[4]N[4]2H)	130.4850	3.961	2	130.4850	15.691	2	122.6683	106.179	4	122.5330	79.726	5	122.5330	79.726	5	122.5330	79.726	5
878	951	956	0:SP-NON_SP-NON_SP3	Ga[4]	H	N	3:3:3:1:	4:	4:4:4:	N[4]-3:N[4]-3:N-3:H-1:	Ga[4]-4:	Ga[4]-4:Si-4:Si-4:	Ga[4](N[4]Ga[4]C)2(NSi2)(H)	H(Ga[4]N[4]2N)	N(Ga[4]N[4]2H)(SiC3)2	Ga[4](N[4]Ga[4]C)2(NSi2)(H){1|H<1>,1|N<3>}	H(Ga[4]N[4]2N)	N(Ga[4]N[4]2H)(SiC3)2	115.1610	0.000	1	115.1610	0.000	1	115.1610	0.000	1	115.1610	0.000	1	115.1610	0.000	1	115.1610	0.000	1
878	951	980	0:SP-NON_SP-NON_SP3	Ga[4]	H	N[4,5]	4:3:4:1:	4:	4:4:4:4:	N[4,5]-4:C[4]-3:C-4:H-1:	Ga[4]-4:	Ga[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H)	H(Ga[4]N[4,5]C[4]C)	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(Ga[4]N[4,5]C[4]C)	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2{1|C<3>,4|H<1>}	99.5164	0.000	1	99.5164	0.000	1	99.5164	0.000	1	99.5164	0.000	1	99.5164	0.000	1	109.5357	47.356	27
878	951	980	0:SP-NON_SP-NON_SP3	Ga[4]	H	N[4,6]	4:4:1:1:	4:	4:4:4:4:	N[4,6]-4:N[4,6]-4:H-1:H-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C[6]-4:C[6]-4:	Ga[4](N[4,6]Ga[4]C[6]2)2(H)2	H(Ga[4]N[4,6]2H)	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2	Ga[4](N[4,6]Ga[4]C[6]2)2(H)2{10|H<1>,4|C<4>}	H(Ga[4]N[4,6]2H)	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2{3|C<4>,4|H<1>}	110.0020	4.311	4	110.0020	18.581	4	110.0020	18.581	4	110.0020	18.581	4	110.0020	18.581	4	109.5357	47.356	27
878	951	980	0:SP-NON_SP-NON_SP3	Ga[4]	H	N[4]	4:4:1:1:	4:	4:4:3:1:	N[4]-4:N[4]-4:H-1:H-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(H)2	H(Ga[4]N[4]2H)	N[4](Ga[4]N[4]HH)2(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(H)2{2|H<1>}	H(Ga[4]N[4]2H)	N[4](Ga[4]N[4]HH)2(NCC)(H){1|H<1>,1|N<3>}	107.4759	5.798	8	107.4759	33.622	8	107.4759	33.622	8	107.4759	33.622	8	109.9064	51.011	22	109.5357	47.356	27
878	951	980	0:SP-NON_SP-NON_SP3	Ga[4]	H	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:N[4]-4:Cl-1:H-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](N[4]Ga[4]CH)2(Cl)(H)	H(Ga[4]N[4]2Cl)	N[4](Ga[4]N[4]ClH)2(CCHH)(H)	Ga[4](N[4]Ga[4]CH)2(Cl)(H){1|Cl<1>,1|H<1>}	H(Ga[4]N[4]2Cl)	N[4](Ga[4]N[4]ClH)2(CCHH)(H){1|C<4>,1|H<1>}	116.0195	22.392	2	116.0195	501.399	2	116.0195	501.399	2	113.4222	65.047	10	109.9064	51.011	22	109.5357	47.356	27
878	951	980	0:SP-NON_SP-NON_SP3	Ga[4]	H	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:N[4]-4:H-1:H-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](N[4]Ga[4]CH)2(H)2	H(Ga[4]N[4]2H)	N[4](Ga[4]N[4]HH)2(CC3)(H)	Ga[4](N[4]Ga[4]CH)2(H)2{2|H<1>}	H(Ga[4]N[4]2H)	N[4](Ga[4]N[4]HH)2(CC3)(H){1|C<4>,1|H<1>}	114.7255	0.025	4	114.7255	0.001	4	112.7729	9.594	8	113.4222	65.047	10	109.9064	51.011	22	109.5357	47.356	27
878	951	980	0:SP-NON_SP-NON_SP3	Ga[4]	H	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:N[4]-4:H-1:H-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](N[4]Ga[4]CH)2(H)2	H(Ga[4]N[4]2H)	N[4](Ga[4]N[4]HH)2(CCHH)(H)	Ga[4](N[4]Ga[4]CH)2(H)2{2|H<1>}	H(Ga[4]N[4]2H)	N[4](Ga[4]N[4]HH)2(CCHH)(H){1|C<4>,1|H<1>}	110.8203	3.495	4	110.8203	12.218	4	112.7729	9.594	8	113.4222	65.047	10	109.9064	51.011	22	109.5357	47.356	27
878	951	980	0:SP-NON_SP-NON_SP3	Ga[4]	H	N[4]	4:4:3:1:	4:	4:4:1:1:	N[4]-4:N[4]-4:C[6a]-3:H-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:H-1:H-1:	Ga[4](N[4]Ga[4]HH)2(C[6a]C[6a]2)(H)	H(Ga[4]C[6a]N[4]2)	N[4](Ga[4]C[6a]N[4]H)2(H)2	Ga[4](N[4]Ga[4]HH)2(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	H(Ga[4]C[6a]N[4]2)	N[4](Ga[4]C[6a]N[4]H)2(H)2{2|H<1>,4|C<3>}	107.4515	2.724	2	107.4515	7.423	2	107.4515	7.423	2	107.4515	7.423	2	109.9064	51.011	22	109.5357	47.356	27
878	951	980	0:SP-NON_SP-NON_SP3	Ga[4]	H	N[4]	4:4:4:1:	4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:H-1:	Ga[4]-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(H)	H(Ga[4]N[4]2C)	N[4](Ga[4]N[4]CH)2(CCHH)2	Ga[4](N[4]Ga[4]CC)2(CC3)(H){1|C<4>,1|H<1>}	H(Ga[4]N[4]2C)	N[4](Ga[4]N[4]CH)2(CCHH)2{2|C<4>}	104.5040	1.322	2	104.5040	1.748	2	104.5040	1.748	2	104.5040	1.748	2	109.9064	51.011	22	109.5357	47.356	27
878	956	956	0:SP-NON_SP2_SP3	Ga[4]	N	N	4:4:3:3:	4:3:1:	4:4:3:	N[4]-4:N[4]-4:N-3:N-3:	Ga[4]-4:N-3:H-1:	Ga[4]-4:Ga[4]-4:N-3:	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N(Ga[4]N[4]2N)(NCC)(H)	N(Ga[4]N[4]2N)2(NCC)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	N(Ga[4]N[4]2N)(NCC)(H)	N(Ga[4]N[4]2N)2(NCC)	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1
878	956	956	0:SP-NON_SP3_SP3	Ga[4]	N	N	4:4:3:3:	4:3:1:	4:4:3:	N[4]-4:N[4]-4:N-3:N-3:	Ga[4]-4:N-3:H-1:	Ga[4]-4:Ga[4]-4:N-3:	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N(Ga[4]N[4]2N)(NCC)(H)	N(Ga[4]N[4]2N)2(NCC)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	N(Ga[4]N[4]2N)(NCC)(H)	N(Ga[4]N[4]2N)2(NCC)	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1
878	956	980	0:SP-NON_SP2_SP3	Ga[4]	N	N[4]	4:4:3:3:	4:3:1:	4:4:3:1:	N[4]-4:N[4]-4:N-3:N-3:	Ga[4]-4:N-3:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N(Ga[4]N[4]2N)(NCC)(H)	N[4](Ga[4]N[4]NN)2(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	N(Ga[4]N[4]2N)(NCC)(H)	N[4](Ga[4]N[4]NN)2(NCC)(H){1|H<1>,1|N<3>}	111.5955	8.837	2	111.5955	78.088	2	111.5955	78.088	2	111.5955	78.088	2	111.5955	78.088	2	111.5955	78.088	2
878	956	980	0:SP-NON_SP3_SP3	Ga[4]	N	N[4]	4:4:3:3:	4:3:1:	4:4:3:1:	N[4]-4:N[4]-4:N-3:N-3:	Ga[4]-4:N-3:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N(Ga[4]N[4]2N)(NCC)(H)	N[4](Ga[4]N[4]NN)2(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	N(Ga[4]N[4]2N)(NCC)(H)	N[4](Ga[4]N[4]NN)2(NCC)(H){1|H<1>,1|N<3>}	114.2245	5.564	2	114.2245	30.961	2	114.2245	30.961	2	114.2245	30.961	2	112.3705	15.696	8	112.3705	15.696	8
878	956	980	0:SP-NON_SP3_SP3	Ga[4]	N	N[4]	4:4:3:3:	4:4:3:	4:4:3:1:	N[4]-4:N[4]-4:N-3:N-3:	Ga[4]-4:Ga[4]-4:N-3:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N(Ga[4]N[4]2N)2(NCC)	N[4](Ga[4]N[4]NN)2(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	N(Ga[4]N[4]2N)2(NCC)	N[4](Ga[4]N[4]NN)2(NCC)(H){1|H<1>,1|N<3>}	112.0720	4.659	4	112.0720	21.708	4	112.0720	21.708	4	112.0720	21.708	4	112.3705	15.696	8	112.3705	15.696	8
878	956	980	0:SP-NON_SP3_SP3	Ga[4]	N	N[4]	4:4:3:4:	4:4:4:	4:4:1:1:	N[4]-4:N[4]-4:N-3:C-4:	Ga[4]-4:Si-4:Si-4:	Ga[4]-4:Ga[4]-4:H-1:H-1:	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3)	N(Ga[4]N[4]2C)(SiC3)2	N[4](Ga[4]N[4]CN)2(H)2	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3){1|C<4>,1|N<3>}	N(Ga[4]N[4]2C)(SiC3)2	N[4](Ga[4]N[4]CN)2(H)2{2|H<1>}	111.1135	1.843	2	111.1135	3.398	2	111.1135	3.398	2	111.1135	3.398	2	112.3705	15.696	8	112.3705	15.696	8
878	978	978	4:SP-NON_SP2_SP2	Ga[4,6]	As[4]	As[4]	3:3:2:2:	4:3:	4:3:	N[6]-3:N[6]-3:As[4]-2:As[4]-2:	Ga[4,6]-4:As[4]-3:	Ga[4,6]-4:As[4]-3:	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2	As[4](Ga[4,6]As[4]N[6]2)(As[4]As[4]Ga[6])	As[4](Ga[4,6]As[4]N[6]2)(As[4]As[4]Ga[6])	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2{1|Ga<4>,2|C<4>,5|C<3>}	As[4](Ga[4,6]As[4]N[6]2)(As[4]As[4]Ga[6]){1|C<4>,2|N<3>,4|C<3>}	As[4](Ga[4,6]As[4]N[6]2)(As[4]As[4]Ga[6]){1|C<4>,2|N<3>,4|C<3>}	62.6743	0.000	1	62.6743	0.000	1	62.6743	0.000	1	62.6743	0.000	1	62.6743	0.000	1	62.6743	0.000	1
878	980	980	4:SP-NON_SP3_SP3	Ga[4,5,5]	N[4,5]	N[4,5]	4:4:3:3:	4:4:3:4:	4:4:3:4:	N[4,5]-4:N[4,5]-4:N[5]-3:N[5]-3:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2{2|Cl<1>,4|H<1>}	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	85.8443	0.249	6	85.8443	0.062	6	85.8443	0.062	6	85.8443	0.062	6	85.8443	0.062	6	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4,5]	N[4,5]	4:4:1:1:	4:4:3:4:	4:4:3:4:	N[4,5]-4:N[4,5]-4:Cl-1:Cl-1:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	Ga[4](N[4,5]Ga[4,5,5]C[5]C)2(Cl)2	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	Ga[4](N[4,5]Ga[4,5,5]C[5]C)2(Cl)2{2|C<3>,2|H<1>,2|N<3>}	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	89.4986	0.211	8	89.4986	0.045	8	89.4986	0.045	8	89.4986	0.045	8	89.4986	0.045	8	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4,6]	N[4,6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	N[4,6]-4:N[4,6]-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:C[6]-4:C[6]-4:	Ga[4]-4:Ga[4]-4:C[6]-4:C[6]-4:	Ga[4](N[4,6]Ga[4]C[6]2)2(H)2	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2	Ga[4](N[4,6]Ga[4]C[6]2)2(H)2{10|H<1>,4|C<4>}	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2{3|C<4>,4|H<1>}	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2{3|C<4>,4|H<1>}	88.7762	0.000	1	88.7762	0.000	1	88.7762	0.000	1	88.7762	0.000	1	88.7762	0.000	1	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:1:1:	4:4:3:1:	4:4:3:1:	N[4]-4:N[4]-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(H)2	N[4](Ga[4]N[4]HH)2(NCC)(H)	N[4](Ga[4]N[4]HH)2(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(H)2{2|H<1>}	N[4](Ga[4]N[4]HH)2(NCC)(H){1|H<1>,1|N<3>}	N[4](Ga[4]N[4]HH)2(NCC)(H){1|H<1>,1|N<3>}	87.0915	0.249	2	87.0915	0.062	2	87.0915	0.062	2	87.0915	0.062	2	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](N[4]Ga[4]CH)2(Cl)2	N[4](Ga[4]N[4]Cl2)2(CC3)(H)	N[4](Ga[4]N[4]Cl2)2(CC3)(H)	Ga[4](N[4]Ga[4]CH)2(Cl)2{2|Cl<1>}	N[4](Ga[4]N[4]Cl2)2(CC3)(H){1|C<4>,1|H<1>}	N[4](Ga[4]N[4]Cl2)2(CC3)(H){1|C<4>,1|H<1>}	86.7960	0.000	1	86.7960	0.000	1	86.7960	0.000	1	87.1328	5.480	5	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:Ga[4]-4:Si-4:H-1:	Ga[4]-4:Ga[4]-4:Si-4:H-1:	Ga[4](N[4]Ga[4]SiH)2(Cl)2	N[4](Ga[4]N[4]Cl2)2(SiC[6a]CC)(H)	N[4](Ga[4]N[4]Cl2)2(SiC[6a]CC)(H)	Ga[4](N[4]Ga[4]SiH)2(Cl)2{2|Cl<1>}	N[4](Ga[4]N[4]Cl2)2(SiC[6a]CC)(H){1|Si<4>,1|H<1>}	N[4](Ga[4]N[4]Cl2)2(SiC[6a]CC)(H){1|Si<4>,1|H<1>}	89.7356	0.000	1	89.7356	0.000	1	89.7356	0.000	1	87.1328	5.480	5	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[4]-4:N[4]-4:Cl-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](N[4]Ga[4]CH)2(Cl)(H)	N[4](Ga[4]N[4]ClH)2(CCHH)(H)	N[4](Ga[4]N[4]ClH)2(CCHH)(H)	Ga[4](N[4]Ga[4]CH)2(Cl)(H){1|Cl<1>,1|H<1>}	N[4](Ga[4]N[4]ClH)2(CCHH)(H){1|C<4>,1|H<1>}	N[4](Ga[4]N[4]ClH)2(CCHH)(H){1|C<4>,1|H<1>}	83.4892	0.000	1	83.4892	0.000	1	83.4892	0.000	1	87.1328	5.480	5	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[4]-4:N[4]-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](N[4]Ga[4]CH)2(H)2	N[4](Ga[4]N[4]HH)2(CC3)(H)	N[4](Ga[4]N[4]HH)2(CC3)(H)	Ga[4](N[4]Ga[4]CH)2(H)2{2|H<1>}	N[4](Ga[4]N[4]HH)2(CC3)(H){1|C<4>,1|H<1>}	N[4](Ga[4]N[4]HH)2(CC3)(H){1|C<4>,1|H<1>}	87.1871	0.000	1	87.1871	0.000	1	87.8217	0.805	2	87.1328	5.480	5	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[4]-4:N[4]-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	Ga[4](N[4]Ga[4]CH)2(H)2	N[4](Ga[4]N[4]HH)2(CCHH)(H)	N[4](Ga[4]N[4]HH)2(CCHH)(H)	Ga[4](N[4]Ga[4]CH)2(H)2{2|H<1>}	N[4](Ga[4]N[4]HH)2(CCHH)(H){1|C<4>,1|H<1>}	N[4](Ga[4]N[4]HH)2(CCHH)(H){1|C<4>,1|H<1>}	88.4563	0.000	1	88.4563	0.000	1	87.8217	0.805	2	87.1328	5.480	5	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:1:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:Cl-1:Cl-1:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(Cl)2	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2	Ga[4](N[4]Ga[4]CC)2(Cl)2{1|Cl<1>,1|C<4>}	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2{2|C<4>}	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2{2|C<4>}	90.7657	0.000	1	90.7657	0.000	1	90.7657	0.000	1	90.7657	0.000	1	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:3:1:	4:4:1:1:	4:4:1:1:	N[4]-4:N[4]-4:C[6a]-3:H-1:	Ga[4]-4:Ga[4]-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:H-1:H-1:	Ga[4](N[4]Ga[4]HH)2(C[6a]C[6a]2)(H)	N[4](Ga[4]C[6a]N[4]H)2(H)2	N[4](Ga[4]C[6a]N[4]H)2(H)2	Ga[4](N[4]Ga[4]HH)2(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	N[4](Ga[4]C[6a]N[4]H)2(H)2{2|H<1>,4|C<3>}	N[4](Ga[4]C[6a]N[4]H)2(H)2{2|H<1>,4|C<3>}	85.1862	0.000	1	85.1862	0.000	1	85.1862	0.000	1	85.1862	0.000	1	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:3:3:	4:4:3:1:	4:4:3:1:	N[4]-4:N[4]-4:N-3:N-3:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N[4](Ga[4]N[4]NN)2(NCC)(H)	N[4](Ga[4]N[4]NN)2(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	N[4](Ga[4]N[4]NN)2(NCC)(H){1|H<1>,1|N<3>}	N[4](Ga[4]N[4]NN)2(NCC)(H){1|H<1>,1|N<3>}	84.2141	0.129	2	84.2141	0.017	2	84.2141	0.017	2	84.2141	0.017	2	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:3:4:	4:4:1:1:	4:4:1:1:	N[4]-4:N[4]-4:N-3:C-4:	Ga[4]-4:Ga[4]-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:H-1:H-1:	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3)	N[4](Ga[4]N[4]CN)2(H)2	N[4](Ga[4]N[4]CN)2(H)2	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3){1|C<4>,1|N<3>}	N[4](Ga[4]N[4]CN)2(H)2{2|H<1>}	N[4](Ga[4]N[4]CN)2(H)2{2|H<1>}	85.4617	0.000	1	85.4617	0.000	1	85.4617	0.000	1	85.4617	0.000	1	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:Cl-1:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){2|Cl<1>}	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2{2|C<4>}	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2{2|C<4>}	87.1486	0.000	1	87.1486	0.000	1	87.9775	1.374	2	88.2496	0.909	3	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:Cl-1:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	N[4](Ga[4]N[4]ClC)2(CCHH)2	N[4](Ga[4]N[4]ClC)2(CCHH)2	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){1|Cl<1>,1|C<4>}	N[4](Ga[4]N[4]ClC)2(CCHH)2{2|C<4>}	N[4](Ga[4]N[4]ClC)2(CCHH)2{2|C<4>}	88.8063	0.000	1	88.8063	0.000	1	87.9775	1.374	2	88.2496	0.909	3	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:C-4:H-1:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	Ga[4](N[4]Ga[4]CC)2(CC3)(H)	N[4](Ga[4]N[4]CH)2(CCHH)2	N[4](Ga[4]N[4]CH)2(CCHH)2	Ga[4](N[4]Ga[4]CC)2(CC3)(H){1|C<4>,1|H<1>}	N[4](Ga[4]N[4]CH)2(CCHH)2{2|C<4>}	N[4](Ga[4]N[4]CH)2(CCHH)2{2|C<4>}	88.7940	0.000	1	88.7940	0.000	1	88.7940	0.000	1	88.2496	0.909	3	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:4:4:	4:4:3:1:	4:4:3:1:	N[4]-4:N[4]-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(CC3)2	N[4](Ga[4]N[4]CC)2(NCH)(H)	N[4](Ga[4]N[4]CC)2(NCH)(H)	Ga[4](N[4]Ga[4]HN)2(CC3)2{2|C<4>}	N[4](Ga[4]N[4]CC)2(NCH)(H){1|H<1>,1|N<3>}	N[4](Ga[4]N[4]CC)2(NCH)(H){1|H<1>,1|N<3>}	81.6516	2.771	2	81.6516	7.677	2	83.2832	11.825	3	83.2832	11.825	3	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:4:4:	4:4:3:1:	4:4:3:1:	N[4]-4:N[4]-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	Ga[4](N[4]Ga[4]HN)2(CH3)2	N[4](Ga[4]N[4]CC)2(NCC)(H)	N[4](Ga[4]N[4]CC)2(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(CH3)2{2|C<4>}	N[4](Ga[4]N[4]CC)2(NCC)(H){1|H<1>,1|N<3>}	N[4](Ga[4]N[4]CC)2(NCC)(H){1|H<1>,1|N<3>}	86.5464	0.000	1	86.5464	0.000	1	83.2832	11.825	3	83.2832	11.825	3	86.5433	6.027	22	87.1293	5.341	37
878	980	980	4:SP-NON_SP3_SP3	Ga[4]	N[4]	N[4]	4:4:4:4:	4:4:4:3:	4:4:4:3:	N[4]-4:N[4]-4:C-4:C-4:	C[6,6]-4:Ga[4]-4:Ga[4]-4:N[6]-3:	C[6,6]-4:Ga[4]-4:Ga[4]-4:N[6]-3:	Ga[4](N[4]C[6,6]Ga[4]N[6])2(CH3)2	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2)	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2)	Ga[4](N[4]C[6,6]Ga[4]N[6])2(CH3)2{10|C<4>,2|H<1>}	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2){1|N<3>,6|H<1>,7|C<4>}	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2){1|N<3>,6|H<1>,7|C<4>}	87.4162	0.684	4	87.4162	0.467	4	87.4162	0.467	4	87.4162	0.467	4	86.5433	6.027	22	87.1293	5.341	37
878	980	980	5:SP-NON_SP3_SP3	Ga[4,5,5]	N[4,5]	N[4,5]	4:4:3:3:	4:4:3:4:	4:4:3:4:	N[4,5]-4:N[4,5]-4:N[5]-3:N[5]-3:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	Ga[4,5,5](N[4,5]Ga[4]C[5]C)2(N[5]C[5]C)2{2|Cl<1>,4|H<1>}	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	85.4578	0.000	2	85.4578	0.000	2	85.4578	0.000	2	85.4578	0.000	2	85.4578	0.000	2	86.2262	1.771	3
878	980	980	5:SP-NON_SP3_SP3	Ga[4,5]	N[4,5]	N[4,5]	4:4:3:1:	4:4:4:3:	4:4:4:3:	N[4,5]-4:N[4,5]-4:N[5]-3:Cl-1:	Ga[4,5]-4:Ga[4,5]-4:C[6]-4:C[5]-3:	Ga[4,5]-4:Ga[4,5]-4:C[6]-4:C[5]-3:	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl)	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H)	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H)	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl){1|Cl<1>,1|C<3>,1|N<3>,6|C<4>,6|H<1>}	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,5|C<4>,5|H<1>}	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,5|C<4>,5|H<1>}	87.7629	0.000	1	87.7629	0.000	1	87.7629	0.000	1	87.7629	0.000	1	87.7629	0.000	1	86.2262	1.771	3
878	980	980	6:SP-NON_SP3_SP3	Ga[4,4,6]	N[4,4,6]	N[4,4,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	N[4,4,6]-4:N[4,4,6]-4:N[4,6,6]-3:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:H-1:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:H-1:	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H)	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3){2|N<3>,2|N<4>,4|C<4>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H){4|Ga<4>,2|H<1>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H){4|Ga<4>,2|H<1>}	89.5250	0.000	1	89.5250	0.000	1	89.5250	0.000	1	89.5250	0.000	1	89.5250	0.000	1	106.7903	237.504	3
878	980	980	6:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,4,6]	N[4,6,6]	4:3:4:4:	4:4:4:1:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-4:C-4:	Ga[4,4,6]-4:Ga[4,4,6]-4:Ga[4,6,6]-4:H-1:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,4,6]-4:H-1:	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3)	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H)	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H)	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3){2|N<4>,3|N<3>,5|C<4>}	N[4,4,6](Ga[4,4,6]N[4,4,6]N[4,6,6]C)2(Ga[4,6,6]N[4,6,6]2C)(H){4|Ga<4>,2|H<1>}	N[4,6,6](Ga[4,6,6]N[4,4,6]N[4,6,6]C)2(Ga[4,4,6]N[4,4,6]2C)(H){5|Ga<4>,1|H<1>}	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	106.7903	237.504	3
878	980	980	6:SP-NON_SP3_SP3	Ga[4,6,6]	N[4,6,6]	N[4,6,6]	4:4:3:4:	4:4:4:3:	4:4:4:3:	N[4,6,6]-4:N[4,6,6]-4:N[4,6]-3:C-4:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,6]-4:C[6a]-3:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,6]-4:C[6a]-3:	Ga[4,6,6](N[4,6,6]Ga[4,6,6]Ga[4,6]C[6a])2(N[4,6]Ga[4,6]C[6])(CH3)	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2)	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2)	Ga[4,6,6](N[4,6,6]Ga[4,6,6]Ga[4,6]C[6a])2(N[4,6]Ga[4,6]C[6])(CH3){1|N<4>,4|C<4>,4|N<3>,5|C<3>}	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2){3|Ga<4>,2|H<1>,7|C<3>}	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2){3|Ga<4>,2|H<1>,7|C<3>}	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	106.7903	237.504	3
879	478	478	4:SP-NON_SP3_SP3	Cl[4]	C[4]	C[4]	4:4:	2:2:1:1:	2:2:1:1:	C[4]-4:C[4]-4:	Cl[4]-2:Cl[4]-2:Cl-1:H-1:	Cl[4]-2:Cl[4]-2:Cl-1:H-1:	Cl[4](C[4]Cl[4]ClH)2	C[4](Cl[4]C[4])2(Cl)(H)	C[4](Cl[4]C[4])2(Cl)(H)	Cl[4](C[4]Cl[4]ClH)2	C[4](Cl[4]C[4])2(Cl)(H){1|Cl<1>,1|H<1>}	C[4](Cl[4]C[4])2(Cl)(H){1|Cl<1>,1|H<1>}	70.1811	0.000	1	70.1811	0.000	1	70.1811	0.000	1	70.3049	0.031	2	70.3049	0.031	2	70.3049	0.031	2
879	478	478	4:SP-NON_SP3_SP3	Cl[4]	C[4]	C[4]	4:4:	2:2:1:1:	2:2:1:1:	C[4]-4:C[4]-4:	Cl[4]-2:Cl[4]-2:H-1:H-1:	Cl[4]-2:Cl[4]-2:H-1:H-1:	Cl[4](C[4]Cl[4]HH)2	C[4](Cl[4]C[4])2(H)2	C[4](Cl[4]C[4])2(H)2	Cl[4](C[4]Cl[4]HH)2	C[4](Cl[4]C[4])2(H)2{2|H<1>}	C[4](Cl[4]C[4])2(H)2{2|H<1>}	70.4287	0.000	1	70.4287	0.000	1	70.4287	0.000	1	70.3049	0.031	2	70.3049	0.031	2	70.3049	0.031	2
879	846	846	4:SP-NON_SP2_SP2	Cl[4]	C[4]	C[4]	3:3:	2:2:1:	2:2:1:	C[4]-3:C[4]-3:	Cl[4]-2:Cl[4]-2:Cl-1:	Cl[4]-2:Cl[4]-2:Cl-1:	Cl[4](C[4]Cl[4]Cl)2	C[4](Cl[4]C[4])2(Cl)	C[4](Cl[4]C[4])2(Cl)	Cl[4](C[4]Cl[4]Cl)2	C[4](Cl[4]C[4])2(Cl){1|Cl<1>}	C[4](Cl[4]C[4])2(Cl){1|Cl<1>}	80.8703	0.000	1	80.8703	0.000	1	80.8703	0.000	1	80.8703	0.000	1	80.8703	0.000	1	80.8703	0.000	1
879	878	878	4:SP-NON_SP-NON_SP-NON	Cl[4]	Ga[4]	Ga[4]	4:4:	2:2:1:1:	2:2:1:1:	Ga[4]-4:Ga[4]-4:	Cl[4]-2:Cl[4]-2:Cl-1:H-1:	Cl[4]-2:Cl[4]-2:Cl-1:H-1:	Cl[4](Ga[4]Cl[4]ClH)2	Ga[4](Cl[4]Ga[4])2(Cl)(H)	Ga[4](Cl[4]Ga[4])2(Cl)(H)	Cl[4](Ga[4]Cl[4]ClH)2	Ga[4](Cl[4]Ga[4])2(Cl)(H){1|Cl<1>,1|H<1>}	Ga[4](Cl[4]Ga[4])2(Cl)(H){1|Cl<1>,1|H<1>}	90.5325	0.000	1	90.5325	0.000	1	90.5325	0.000	1	90.5325	0.000	1	91.3024	9.411	23	91.3024	9.411	23
879	878	878	4:SP-NON_SP-NON_SP-NON	Cl[4]	Ga[4]	Ga[4]	4:4:	2:2:3:1:	2:2:3:1:	Ga[4]-4:Ga[4]-4:	Cl[4]-2:Cl[4]-2:C-3:Cl-1:	Cl[4]-2:Cl[4]-2:C-3:Cl-1:	Cl[4](Ga[4]Cl[4]ClC)2	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl)	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl)	Cl[4](Ga[4]Cl[4]ClC)2	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl){1|Cl<1>,1|C<3>}	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl){1|Cl<1>,1|C<3>}	90.9498	0.937	14	90.9498	0.879	14	90.9498	0.879	14	90.9498	0.879	14	91.3024	9.411	23	91.3024	9.411	23
879	878	878	4:SP-NON_SP-NON_SP-NON	Cl[4]	Ga[4]	Ga[4]	4:4:	3:2:1:1:	3:2:1:1:	Ga[4]-4:Ga[4]-4:	N[4]-3:Cl[4]-2:Cl-1:Cl-1:	N[4]-3:Cl[4]-2:Cl-1:Cl-1:	Cl[4](Ga[4]N[4]Cl2)2	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2	Cl[4](Ga[4]N[4]Cl2)2{1|P<4>}	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2{3|Cl<1>,2|N<3>}	Ga[4](N[4]Ga[4]P[4])(Cl[4]Ga[4])(Cl)2{3|Cl<1>,2|N<3>}	80.2270	0.000	1	80.2270	0.000	1	80.2270	0.000	1	80.2270	0.000	1	91.3024	9.411	23	91.3024	9.411	23
879	878	878	4:SP-NON_SP-NON_SP-NON	Cl[4]	Ga[4]	Ga[4]	4:4:	3:4:2:2:	3:4:2:2:	Ga[4]-4:Ga[4]-4:	C[6a]-3:C[5]-4:Cl[4]-2:Cl[4]-2:	C[6a]-3:C[5]-4:Cl[4]-2:Cl[4]-2:	Cl[4](Ga[4]C[6a]Cl[4]C[5])2	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2	Cl[4](Ga[4]C[6a]Cl[4]C[5])2{2|C<4>,8|C<3>}	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2{2|F<1>,3|C<4>,5|C<3>}	Ga[4](C[6a]C[6a]2)(C[5]C[5]2C)(Cl[4]Ga[4])2{2|F<1>,3|C<4>,5|C<3>}	92.6692	0.363	2	92.6692	0.131	2	92.6692	0.131	2	92.6692	0.131	2	91.3024	9.411	23	91.3024	9.411	23
879	878	878	4:SP-NON_SP-NON_SP-NON	Cl[4]	Ga[4]	Ga[4]	4:4:	4:2:2:1:	4:2:2:1:	Ga[4]-4:Ga[4]-4:	C[5]-4:Cl[4]-2:Cl[4]-2:Cl-1:	C[5]-4:Cl[4]-2:Cl[4]-2:Cl-1:	Cl[4](Ga[4]Cl[4]C[5]Cl)2	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl)	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl)	Cl[4](Ga[4]Cl[4]C[5]Cl)2{2|C<4>,4|C<3>}	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Ga[4](C[5]C[5]2C)(Cl[4]Ga[4])2(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	92.9410	0.172	2	92.9410	0.030	2	92.9410	0.030	2	92.2959	1.263	3	91.3024	9.411	23	91.3024	9.411	23
879	878	878	4:SP-NON_SP-NON_SP-NON	Cl[4]	Ga[4]	Ga[4]	4:4:	4:2:2:1:	4:2:2:1:	Ga[4]-4:Ga[4]-4:	C[6]-4:Cl[4]-2:Cl[4]-2:Cl-1:	C[6]-4:Cl[4]-2:Cl[4]-2:Cl-1:	Cl[4](Ga[4]Cl[4]C[6]Cl)2	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl)	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl)	Cl[4](Ga[4]Cl[4]C[6]Cl)2{2|Ga<4>,2|Si<4>,2|C<4>}	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl){1|Br<2>,3|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl){1|Br<2>,3|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	91.0056	0.000	1	91.0056	0.000	1	91.0056	0.000	1	92.2959	1.263	3	91.3024	9.411	23	91.3024	9.411	23
879	878	878	4:SP-NON_SP-NON_SP-NON	Cl[4]	Ga[4]	Ga[4]	4:4:	4:4:2:2:	4:4:2:2:	Ga[4]-4:Ga[4]-4:	C[5]-4:C[5]-4:Cl[4]-2:Cl[4]-2:	C[5]-4:C[5]-4:Cl[4]-2:Cl[4]-2:	Cl[4](Ga[4]Cl[4]C[5]2)2	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2	Cl[4](Ga[4]Cl[4]C[5]2)2{4|C<4>,8|C<3>}	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2{4|C<3>,6|C<4>}	Ga[4](C[5]C[5]2C)2(Cl[4]Ga[4])2{4|C<3>,6|C<4>}	96.8363	0.144	2	96.8363	0.021	2	96.8363	0.021	2	96.8363	0.021	2	91.3024	9.411	23	91.3024	9.411	23
879	898	898	4:SP-NON_SP1_SP1	Cl[4]	C[4]	C[4]	2:2:	2:2:	2:2:	C[4]-2:C[4]-2:	Cl[4]-2:Cl[4]-2:	Cl[4]-2:Cl[4]-2:	Cl[4](C[4]Cl[4])2	C[4](Cl[4]C[4])2	C[4](Cl[4]C[4])2	Cl[4](C[4]Cl[4])2	C[4](Cl[4]C[4])2	C[4](Cl[4]C[4])2	62.6004	0.000	1	62.6004	0.000	1	62.6004	0.000	1	62.6004	0.000	1	62.6004	0.000	1	62.6004	0.000	1
880	2	2	0:SP3_SP2_SP2	Si	B[5]	B[5]	3:3:3:3:	4:2:2:	4:2:2:	C[6a]-3:C[6a]-3:B[5]-3:B[5]-3:	Si-4:O[5]-2:O[5]-2:	Si-4:O[5]-2:O[5]-2:	Si(C[6a]C[6a]2)2(B[5]O[5]2)2	B[5](SiC[6a]2B[5])(O[5]C[5])2	B[5](SiC[6a]2B[5])(O[5]C[5])2	Si(C[6a]C[6a]2)2(B[5]O[5]2)2	B[5](SiC[6a]2B[5])(O[5]C[5])2{4|C<4>}	B[5](SiC[6a]2B[5])(O[5]C[5])2{4|C<4>}	96.4571	0.000	1	96.4571	0.000	1	96.4571	0.000	1	96.4571	0.000	1	96.4571	0.000	1	96.4571	0.000	1
880	2	490	0:SP3_SP2_SP3	Si	B[5]	C	3:3:3:4:	4:2:2:	4:1:1:1:	C[6a]-3:C[6a]-3:B[5]-3:C-4:	Si-4:O[5]-2:O[5]-2:	Si-4:H-1:H-1:H-1:	Si(C[6a]C[6a]2)2(B[5]O[5]2)(CH3)	B[5](SiC[6a]2C)(O[5]C[5])2	C(SiC[6a]2B[5])(H)3	Si(C[6a]C[6a]2)2(B[5]O[5]2)(CH3)	B[5](SiC[6a]2C)(O[5]C[5])2{4|C<4>}	C(SiC[6a]2B[5])(H)3	98.2294	0.000	1	98.2294	0.000	1	98.2294	0.000	1	98.2294	0.000	1	106.3721	51.157	3	106.3721	51.157	3
880	2	490	0:SP3_SP2_SP3	Si	B[5]	C	3:3:4:4:	3:3:4:	4:1:1:1:	C[6a]-3:B[5]-3:C-4:C-4:	N[5]-3:N[5]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(C[6a]C[6a]2)(B[5]N[5]2)(CH3)2	B[5](N[5]C[6a]C[5])2(SiC[6a]CC)	C(SiC[6a]B[5]C)(H)3	Si(C[6a]C[6a]2)(B[5]N[5]2)(CH3)2	B[5](N[5]C[6a]C[5])2(SiC[6a]CC){1|N<2>,2|H<1>,5|C<3>}	C(SiC[6a]B[5]C)(H)3	110.4435	1.691	2	110.4435	2.858	2	110.4435	2.858	2	110.4435	2.858	2	106.3721	51.157	3	106.3721	51.157	3
880	2	643	0:SP3_SP2_SP2	Si	B[5]	C[6a]	3:3:3:3:	4:2:2:	4:3:3:	C[6a]-3:C[6a]-3:B[5]-3:B[5]-3:	Si-4:O[5]-2:O[5]-2:	Si-4:C[6a]-3:C[6a]-3:	Si(C[6a]C[6a]2)2(B[5]O[5]2)2	B[5](SiC[6a]2B[5])(O[5]C[5])2	C[6a](SiC[6a]B[5]2)(C[6a]C[6a]C)2	Si(C[6a]C[6a]2)2(B[5]O[5]2)2	B[5](SiC[6a]2B[5])(O[5]C[5])2{4|C<4>}	C[6a](SiC[6a]B[5]2)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	111.8487	10.111	4	111.8487	102.230	4	111.8487	102.230	4	111.8487	102.230	4	112.6948	63.326	11	112.6948	63.326	11
880	2	643	0:SP3_SP2_SP2	Si	B[5]	C[6a]	3:3:3:4:	4:2:2:	4:3:3:	C[6a]-3:C[6a]-3:B[5]-3:C-4:	Si-4:O[5]-2:O[5]-2:	Si-4:C[6a]-3:C[6a]-3:	Si(C[6a]C[6a]2)2(B[5]O[5]2)(CH3)	B[5](SiC[6a]2C)(O[5]C[5])2	C[6a](SiC[6a]B[5]C)(C[6a]C[6a]C)2	Si(C[6a]C[6a]2)2(B[5]O[5]2)(CH3)	B[5](SiC[6a]2C)(O[5]C[5])2{4|C<4>}	C[6a](SiC[6a]B[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	111.4928	17.684	2	111.4928	312.710	2	111.4928	312.710	2	113.1566	64.410	6	112.6948	63.326	11	112.6948	63.326	11
880	2	643	0:SP3_SP2_SP2	Si	B[5]	C[6a]	3:3:3:4:	4:2:2:	4:3:3:	C[6a]-3:C[6a]-3:B[5]-3:Si-4:	Si-4:O[5]-2:O[5]-2:	Si-4:C[6a]-3:C[6a]-3:	Si(C[6a]C[6a]2)2(B[5]O[5]2)(SiC3)	B[5](SiC[6a]2Si)(O[5]C[5])2	C[6a](SiC[6a]B[5]Si)(C[6a]C[6a]C)2	Si(C[6a]C[6a]2)2(B[5]O[5]2)(SiC3)	B[5](SiC[6a]2Si)(O[5]C[5])2{4|C<4>}	C[6a](SiC[6a]B[5]Si)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	113.9885	0.587	4	113.9885	0.345	4	113.9885	0.345	4	113.1566	64.410	6	112.6948	63.326	11	112.6948	63.326	11
880	2	643	0:SP3_SP2_SP2	Si	B[5]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:B[5]-3:C-4:C-4:	N[5]-3:N[5]-3:Si-4:	C[6a]-3:C[6a]-3:Si-4:	Si(C[6a]C[6a]2)(B[5]N[5]2)(CH3)2	B[5](N[5]C[6a]C[5])2(SiC[6a]CC)	C[6a](C[6a]C[6a]H)2(SiB[5]CC)	Si(C[6a]C[6a]2)(B[5]N[5]2)(CH3)2	B[5](N[5]C[6a]C[5])2(SiC[6a]CC){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(SiB[5]CC){1|C<3>,2|H<1>}	113.3080	0.000	1	113.3080	0.000	1	113.3080	0.000	1	113.3080	0.000	1	112.6948	63.326	11	112.6948	63.326	11
880	2	880	0:SP3_SP2_SP3	Si	B[5]	Si	3:3:3:4:	4:2:2:	4:4:4:4:	C[6a]-3:C[6a]-3:B[5]-3:Si-4:	Si-4:O[5]-2:O[5]-2:	Si-4:C-4:C-4:C-4:	Si(C[6a]C[6a]2)2(B[5]O[5]2)(SiC3)	B[5](SiC[6a]2Si)(O[5]C[5])2	Si(SiC[6a]2B[5])(CH3)3	Si(C[6a]C[6a]2)2(B[5]O[5]2)(SiC3)	B[5](SiC[6a]2Si)(O[5]C[5])2{4|C<4>}	Si(SiC[6a]2B[5])(CH3)3	98.8568	0.125	2	98.8568	0.016	2	98.8568	0.016	2	98.8568	0.016	2	98.8568	0.016	2	98.8568	0.016	2
880	3	944	0:SP3_SP-NON_SP2	Si	B[5a]	I	3:3:1:1:	3:3:4:	4:	B[5a]-3:N-3:I-1:I-1:	N[5a]-3:N[5a]-3:Si-4:	Si-4:	Si(B[5a]N[5a]2)(NC[6a]Si)(I)2	B[5a](N[5a]C[5a]C[6a])2(SiIIN)	I(SiB[5a]IN)	Si(B[5a]N[5a]2)(NC[6a]Si)(I)2	B[5a](N[5a]C[5a]C[6a])2(SiIIN){2|H<1>,4|C<3>}	I(SiB[5a]IN)	106.3150	0.147	2	106.3150	0.022	2	106.3150	0.022	2	106.3150	0.022	2	106.3150	0.022	2	106.3150	0.022	2
880	3	951	0:SP3_SP-NON_SP2	Si	B[5a]	H	3:3:1:1:	3:3:4:	4:	B[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-3:Si-4:	Si-4:	Si(B[5a]N[5a]2)(NC[6a]Si)(H)2	B[5a](N[5a]C[5a]C[6a])2(SiHHN)	H(SiB[5a]HN)	Si(B[5a]N[5a]2)(NC[6a]Si)(H)2	B[5a](N[5a]C[5a]C[6a])2(SiHHN){2|H<1>,4|C<3>}	H(SiB[5a]HN)	108.2155	1.126	2	108.2155	1.269	2	108.2155	1.269	2	108.2155	1.269	2	108.2155	1.269	2	108.2155	1.269	2
880	3	956	0:SP3_SP2_SP2	Si	B[5a]	N	3:3:1:1:	3:3:4:	3:4:4:	B[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-3:Si-4:	C[6a]-3:Si-4:Si-4:	Si(B[5a]N[5a]2)(NC[6a]Si)(H)2	B[5a](N[5a]C[5a]C[6a])2(SiHHN)	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	Si(B[5a]N[5a]2)(NC[6a]Si)(H)2	B[5a](N[5a]C[5a]C[6a])2(SiHHN){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	120.1040	0.000	1	120.1040	0.000	1	120.1040	0.000	1	122.8145	14.694	2	122.8145	14.694	2	122.8145	14.694	2
880	3	956	0:SP3_SP2_SP2	Si	B[5a]	N	3:3:1:1:	3:3:4:	3:4:4:	B[5a]-3:N-3:I-1:I-1:	N[5a]-3:N[5a]-3:Si-4:	C[6a]-3:Si-4:Si-4:	Si(B[5a]N[5a]2)(NC[6a]Si)(I)2	B[5a](N[5a]C[5a]C[6a])2(SiIIN)	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	Si(B[5a]N[5a]2)(NC[6a]Si)(I)2	B[5a](N[5a]C[5a]C[6a])2(SiIIN){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	125.5250	0.000	1	125.5250	0.000	1	125.5250	0.000	1	122.8145	14.694	2	122.8145	14.694	2	122.8145	14.694	2
880	14	490	0:SP3_SP3_SP3	Si	P[6,6]	C	3:4:4:4:	4:4:4:	4:1:1:1:	P[6,6]-3:C-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(P[6,6]C[6,6]2)(CH3)3	P[6,6](C[6,6]C[6]2H)2(SiC3)	C(SiP[6,6]CC)(H)3	Si(P[6,6]C[6,6]2)(CH3)3	P[6,6](C[6,6]C[6]2H)2(SiC3){2|C<4>,8|H<1>}	C(SiP[6,6]CC)(H)3	110.7047	10.242	3	110.7047	104.891	3	110.7047	104.891	3	110.7047	104.891	3	110.7047	104.891	3	110.7047	104.891	3
880	70	490	0:SP3_SP-NON_SP3	Si	P	C	3:4:4:1:	4:	4:4:4:1:	C[6a]-3:C-4:C-4:P-1:	Si-4:	Si-4:C-4:C-4:H-1:	Si(C[6a]C[6a]2)(CCCH)2(P)	P(SiC[6a]CC)	C(SiC[6a]CP)(CH3)2(H)	Si(C[6a]C[6a]2)(CCCH)2(P)	P(SiC[6a]CC)	C(SiC[6a]CP)(CH3)2(H)	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1
880	70	643	0:SP3_SP-NON_SP2	Si	P	C[6a]	3:4:4:1:	4:	3:3:4:	C[6a]-3:C-4:C-4:P-1:	Si-4:	C[6a]-3:C[6a]-3:Si-4:	Si(C[6a]C[6a]2)(CCCH)2(P)	P(SiC[6a]CC)	C[6a](C[6a]C[6a]H)2(SiCCP)	Si(C[6a]C[6a]2)(CCCH)2(P)	P(SiC[6a]CC)	C[6a](C[6a]C[6a]H)2(SiCCP){1|C<3>,2|H<1>}	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1
880	74	490	0:SP3_SP2_SP3	Si	N[4,6]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4,6]-3:C-4:C-4:C-4:	P[4,6,6]-4:P[4,6,6]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4,6]P[4,6,6]2)(CH3)3	N[4,6](P[4,6,6]C[6,6,6a]S[4,6]S)2(SiC3)	C(SiN[4,6]CC)(H)3	Si(N[4,6]P[4,6,6]2)(CH3)3	N[4,6](P[4,6,6]C[6,6,6a]S[4,6]S)2(SiC3){3|C<3>}	C(SiN[4,6]CC)(H)3	107.1847	0.128	3	107.1847	0.016	3	107.1847	0.016	3	107.1847	0.016	3	107.1847	0.016	3	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:3:3:4:	4:4:4:	4:4:4:4:	C[6a]-3:C[6a]-3:N[4]-3:C-4:	Si[4]-4:Si[4]-4:Si-4:	Si-4:C-4:C-4:C-4:	Si(C[6a]C[6a]2)2(N[4]Si[4]2)(CC3)	N[4](Si[4]C[6a]N[4]C)(Si[4]N[4]FF)(SiC[6a]2C)	C(SiC[6a]2N[4])(CH3)3	Si(C[6a]C[6a]2)2(N[4]Si[4]2)(CC3)	N[4](Si[4]C[6a]N[4]C)(Si[4]N[4]FF)(SiC[6a]2C){3|C<3>}	C(SiC[6a]2N[4])(CH3)3	110.0280	0.000	1	110.0280	0.000	1	110.0280	0.000	1	110.0280	0.000	1	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Ge)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Ge)(SiC3){1|Si<4>,2|C<3>}	C(SiN[4]CC)(H)3	109.4483	4.158	6	109.4483	17.288	6	109.3319	14.969	18	109.6689	16.549	24	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Si)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Si)(SiC3){1|Si<4>,2|C<3>}	C(SiN[4]CC)(H)3	109.5115	4.072	6	109.5115	16.583	6	109.3319	14.969	18	109.6689	16.549	24	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Sn)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Sn)(SiC3){1|Si<4>,2|C<3>}	C(SiN[4]CC)(H)3	109.0360	4.106	6	109.0360	16.863	6	109.3319	14.969	18	109.6689	16.549	24	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-3:C[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4]C[4])(CH3)3	N[4](Ge[4]N[4]N)(C[4]N[4]C)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4]C[4])(CH3)3	N[4](Ge[4]N[4]N)(C[4]N[4]C)(SiC3){1|Si<4>}	C(SiN[4]CC)(H)3	110.6798	4.858	6	110.6798	23.596	6	110.6798	23.596	6	109.6689	16.549	24	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4,6]-3:B[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]C[4,6]B[4])(CH3)3	N[4](C[4,6]N[4,6]C[6])(B[4]N[4,6]Br2)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]C[4,6]B[4])(CH3)3	N[4](C[4,6]N[4,6]C[6])(B[4]N[4,6]Br2)(SiC3){1|H<1>,2|C<3>}	C(SiN[4]CC)(H)3	107.3120	2.478	3	107.3120	6.138	3	107.3120	6.138	3	107.9141	6.077	15	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:B[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]B[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(B[4]N[4]Br2)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]B[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(B[4]N[4]Br2)(SiC3){1|Si<4>,2|C<3>}	C(SiN[4]CC)(H)3	107.3880	2.317	3	107.3880	5.366	3	107.3880	5.366	3	107.9141	6.077	15	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]RhO)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]RhO)(SiC3){1|Si<4>,2|C<3>}	C(SiN[4]CC)(H)3	107.9778	3.349	6	107.9778	11.217	6	107.9778	11.217	6	107.9141	6.077	15	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4,5]-3:P[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4,5]P[4])(CH3)3	N[4](Ge[4,5]C[4,5]N[5])(P[4]C[4,5]C[6a]2)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4,5]P[4])(CH3)3	N[4](Ge[4,5]C[4,5]N[5])(P[4]C[4,5]C[6a]2)(SiC3){1|Si<4>,1|P<4>,2|N<2>,4|C<3>}	C(SiN[4]CC)(H)3	108.9147	0.719	3	108.9147	0.517	3	108.9147	0.517	3	107.9141	6.077	15	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:2:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:As[4]-2:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]As[4]P[4])(CH3)3	N[4](P[4]C[6a]2C[4])(As[4]C[4])(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]As[4]P[4])(CH3)3	N[4](P[4]C[6a]2C[4])(As[4]C[4])(SiC3){1|P<4>,4|C<3>}	C(SiN[4]CC)(H)3	107.7940	3.202	3	107.7940	10.250	3	107.7940	10.250	3	108.1792	4.494	6	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:2:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:Ge[4]-2:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4]Si[4])(CH3)3	N[4](Si[4]N[4]CC)(Ge[4]N[4])(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4]Si[4])(CH3)3	N[4](Si[4]N[4]CC)(Ge[4]N[4])(SiC3){1|C<3>}	C(SiN[4]CC)(H)3	108.5643	0.735	3	108.5643	0.541	3	108.5643	0.541	3	108.1792	4.494	6	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-4:C[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]C[4]2)(CC3)(CH3)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]C[4]2)(CC3)(CH3)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(SiC3){1|C<4>,1|H<1>}	C(SiN[4]CC)(H)3	106.2730	1.530	2	106.2730	2.341	2	106.2730	2.341	2	107.8478	5.250	14	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Ge[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2C[4])(Ge[4]C[4]Cl)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2C[4])(Ge[4]C[4]Cl)(SiC3){1|Rh<7>,1|P<5>,4|C<3>}	C(SiN[4]CC)(H)3	109.3420	3.109	3	109.3420	9.665	3	109.0805	4.107	6	107.8478	5.250	14	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Ge[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2C[4])(Ge[4]C[4]Mn)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2C[4])(Ge[4]C[4]Mn)(SiC3){1|P<4>,4|C<3>}	C(SiN[4]CC)(H)3	108.8190	0.631	3	108.8190	0.398	3	109.0805	4.107	6	107.8478	5.250	14	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]2Cl)(P[4]N[4]Cl)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]2Cl)(P[4]N[4]Cl)(SiC3){1|Si<4>,2|Ga<4>}	C(SiN[4]CC)(H)3	106.5523	1.992	3	106.5523	3.968	3	106.5523	3.968	3	107.8478	5.250	14	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-4:P[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Si[4,4]P[4])(CH3)3	N[4](Si[4,4]N[4]3)(P[4]N[4]Cl)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Si[4,4]P[4])(CH3)3	N[4](Si[4,4]N[4]3)(P[4]N[4]Cl)(SiC3){3|Si<4>,1|P<4>}	C(SiN[4]CC)(H)3	107.7277	3.023	3	107.7277	9.138	3	107.7277	9.138	3	107.8478	5.250	14	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:3:4:	4:4:4:4:	N[4]-3:C-4:C-4:C-4:	C[4]-4:C[4]-3:Si-4:	Si-4:C-4:C-4:C-4:	Si(N[4]C[4]2)(CC3)(CH3)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(SiC3)	C(SiN[4]CC)(CH3)3	Si(N[4]C[4]2)(CC3)(CH3)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(SiC3){1|C<4>,1|H<1>}	C(SiN[4]CC)(CH3)3	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	B[4]-4:P[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]B[4]P[4])(CH3)3	N[4](B[4]C[6a]2C[4])(P[4]C[4]CC)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]B[4]P[4])(CH3)3	N[4](B[4]C[6a]2C[4])(P[4]C[4]CC)(SiC3){1|H<1>,5|C<3>}	C(SiN[4]CC)(H)3	112.6810	1.885	3	112.6810	3.554	3	112.6810	3.554	3	107.5463	7.951	24	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[3x4]-4:Si[4,4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Si[4,4]P[3x4])(CH3)3	N[4](P[3x4]P[3,4,4]2N[4])(Si[4,4]N[4]3)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Si[4,4]P[3x4])(CH3)3	N[4](P[3x4]P[3,4,4]2N[4])(Si[4,4]N[4]3)(SiC3){3|Si<4>,1|P<4>,2|P<3>}	C(SiN[4]CC)(H)3	106.7658	2.197	12	106.8744	4.431	15	106.8744	4.431	15	107.5463	7.951	24	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[3x4]-4:Si[4,4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Si[4,4]P[3x4])(CH3)3	N[4](P[3x4]P[3,4,4]2N[4])(Si[4,4]N[4]3)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Si[4,4]P[3x4])(CH3)3	N[4](P[3x4]P[3,4,4]2N[4])(Si[4,4]N[4]3)(SiC3){3|Si<4>,3|P<3>}	C(SiN[4]CC)(H)3	107.3090	2.029	3	106.8744	4.431	15	106.8744	4.431	15	107.5463	7.951	24	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[3x4]-4:Si[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]P[3x4]Si[4])(CH3)3	N[4](P[3x4]P[3,4,4]2N[4])(Si[4]N[4]Cl2)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]P[3x4]Si[4])(CH3)3	N[4](P[3x4]P[3,4,4]2N[4])(Si[4]N[4]Cl2)(SiC3){1|Si<4>,2|P<3>}	C(SiN[4]CC)(H)3	106.6585	2.151	6	106.6585	4.627	6	106.6585	4.627	6	107.5463	7.951	24	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ga[4,6]-5:C[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ga[4,6]C[4])(CH3)3	N[4](Ga[4,6]N[4,6]N[6]Cl2)(C[4]N[4,6]C[6a])(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ga[4,6]C[4])(CH3)3	N[4](Ga[4,6]N[4,6]N[6]Cl2)(C[4]N[4,6]C[6a])(SiC3){2|C<3>,4|C<4>}	C(SiN[4]CC)(H)3	109.3757	3.480	3	109.3757	12.110	3	109.3757	12.110	3	109.3757	12.110	3	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP2_SP3	Si	N[4]	C	3:4:4:4:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-6:C[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(SiC3){3|Si<4>,3|C<3>}	C(SiN[4]CC)(H)3	109.9470	2.121	6	109.9470	4.499	6	109.9470	4.499	6	109.9470	4.499	6	108.4952	9.371	94	108.4547	9.130	97
880	74	490	0:SP3_SP3_SP3	Si	N[4,6]	C	3:4:4:3:	4:4:4:	4:1:1:1:	N[4,6]-3:C-4:C-4:C-3:	P[4,6,6]-4:P[4,6,6]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4,6]P[4,6,6]2)(CH3)2(CHH)	N[4,6](P[4,6,6]C[6,6,6a]S[4,6]S)2(SiC3)	C(SiN[4,6]CC)(H)3	Si(N[4,6]P[4,6,6]2)(CH3)2(CHH)	N[4,6](P[4,6,6]C[6,6,6a]S[4,6]S)2(SiC3){3|C<3>}	C(SiN[4,6]CC)(H)3	107.4005	0.633	2	107.4005	0.401	2	107.4005	0.401	2	107.4005	0.401	2	106.9238	1.153	5	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4,6]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4,6]-3:C-4:C-4:C-4:	P[4,6,6]-4:P[4,6,6]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4,6]P[4,6,6]2)(CH3)3	N[4,6](P[4,6,6]C[6,6,6a]S[4,6]S)2(SiC3)	C(SiN[4,6]CC)(H)3	Si(N[4,6]P[4,6,6]2)(CH3)3	N[4,6](P[4,6,6]C[6,6,6a]S[4,6]S)2(SiC3){3|C<3>}	C(SiN[4,6]CC)(H)3	106.6060	1.314	3	106.6060	1.727	3	106.6060	1.727	3	106.6060	1.727	3	106.9238	1.153	5	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:1:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:Cl-1:	B[4]-4:B[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]B[4]2)(CH3)2(Cl)	N[4](B[4]N[4]Cl2)2(SiClCC)	C(SiN[4]ClC)(H)3	Si(N[4]B[4]2)(CH3)2(Cl)	N[4](B[4]N[4]Cl2)2(SiClCC){1|Si<4>}	C(SiN[4]ClC)(H)3	111.3490	6.990	2	111.3490	48.866	2	111.3490	48.866	2	111.3618	16.298	4	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:1:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:Cl-1:	Si[4]-4:Si[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Si[4]2)(CH3)2(Cl)	N[4](Si[4]N[4]CC)2(SiClCC)	C(SiN[4]ClC)(H)3	Si(N[4]Si[4]2)(CH3)2(Cl)	N[4](Si[4]N[4]CC)2(SiClCC){1|Si<4>}	C(SiN[4]ClC)(H)3	111.3745	0.162	2	111.3745	0.026	2	111.3745	0.026	2	111.3618	16.298	4	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	As[4]-3:As[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]As[4]2)(CH3)3	N[4](As[4]N[4]N)2(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]As[4]2)(CH3)3	N[4](As[4]N[4]N)2(SiC3){1|Si<4>}	C(SiN[4]CC)(H)3	109.6647	2.113	3	109.6647	4.463	3	109.6647	4.463	3	109.4935	3.699	12	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)2(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)2(SiC3){1|Si<4>}	C(SiN[4]CC)(H)3	109.4364	1.989	9	109.4364	3.956	9	109.4364	3.956	9	109.4935	3.699	12	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4,6]-3:B[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]C[4,6]B[4])(CH3)3	N[4](C[4,6]N[4,6]C[6])(B[4]N[4,6]ClN)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]C[4,6]B[4])(CH3)3	N[4](C[4,6]N[4,6]C[6])(B[4]N[4,6]ClN)(SiC3){1|H<1>,2|C<3>}	C(SiN[4]CC)(H)3	108.7235	0.651	8	108.7235	0.423	8	108.7235	0.423	8	110.1463	6.324	17	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4,4]-3:P[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4,4]P[4])(CH3)3	N[4](Ge[4,4]C[4,4]2)(P[4]C[4,4]CC)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4,4]P[4])(CH3)3	N[4](Ge[4,4]C[4,4]2)(P[4]C[4,4]CC)(SiC3){1|Ge<3>,1|P<4>,2|C<3>}	C(SiN[4]CC)(H)3	111.4147	3.041	6	111.4147	9.246	6	111.4147	9.246	6	110.1463	6.324	17	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4,6,6]-3:P[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Ge[4,6,6]P[4])(CH3)3	N[4](Ge[4,6,6]C[4,6,6]C[3x6])(P[4]C[4,6,6]CC)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Ge[4,6,6]P[4])(CH3)3	N[4](Ge[4,6,6]C[4,6,6]C[3x6])(P[4]C[4,6,6]CC)(SiC3){1|Ge<3>,1|H<1>,1|P<4>,2|C<3>}	C(SiN[4]CC)(H)3	111.4037	3.270	3	111.4037	10.696	3	111.4037	10.696	3	110.1463	6.324	17	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]2Cl)(P[4]N[4]Cl)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]2Cl)(P[4]N[4]Cl)(SiC3){1|Si<4>,2|Ga<4>}	C(SiN[4]CC)(H)3	105.7820	0.394	3	105.7820	0.155	3	105.7820	0.155	3	106.9492	5.919	6	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-4:P[4]-3:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Si[4,4]P[4])(CH3)3	N[4](Si[4,4]N[4]3)(P[4]N[4]Cl)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Si[4,4]P[4])(CH3)3	N[4](Si[4,4]N[4]3)(P[4]N[4]Cl)(SiC3){3|Si<4>,1|P<4>}	C(SiN[4]CC)(H)3	108.1163	3.249	3	108.1163	10.555	3	108.1163	10.555	3	106.9492	5.919	6	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[3x4]-4:Si[4,4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Si[4,4]P[3x4])(CH3)3	N[4](P[3x4]P[3,4,4]2N[4])(Si[4,4]N[4]3)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Si[4,4]P[3x4])(CH3)3	N[4](P[3x4]P[3,4,4]2N[4])(Si[4,4]N[4]3)(SiC3){3|Si<4>,3|P<3>}	C(SiN[4]CC)(H)3	107.6417	1.504	3	107.6417	2.262	3	107.6417	2.262	3	109.3255	5.553	6	109.5445	7.005	45	109.2825	7.015	50
880	74	490	0:SP3_SP3_SP3	Si	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:Si-4:	Si-4:H-1:H-1:H-1:	Si(N[4]Si[4]2)(CH3)3	N[4](Si[4]C[4]Fe2)(Si[4]C[4]CC)(SiC3)	C(SiN[4]CC)(H)3	Si(N[4]Si[4]2)(CH3)3	N[4](Si[4]C[4]Fe2)(Si[4]C[4]CC)(SiC3){2|H<1>}	C(SiN[4]CC)(H)3	111.0093	1.765	3	111.0093	3.114	3	111.0093	3.114	3	109.3255	5.553	6	109.5445	7.005	45	109.2825	7.015	50