610	610	790	0:SP3_SP-NON_SP3	B	B	Cl	4:3:1:1:	4:3:1:1:	4:	B-4:S-3:Cl-1:Cl-1:	B-4:S-3:Cl-1:Cl-1:	B-4:	B(BCl2S)(SCC)(Cl)2	B(BCl2S)(SCC)(Cl)2	Cl(BClBS)	B(BCl2S)(SCC)(Cl)2	B(BCl2S)(SCC)(Cl)2	Cl(BClBS)	113.5100	0.498	2	113.5100	0.248	2	113.5100	0.248	2	113.5100	0.248	2	113.0600	0.362	4	113.0600	0.362	4
610	610	790	0:SP3_SP-NON_SP3	B	B	Cl	4:4:1:1:	4:4:1:1:	4:	B-4:P-4:Cl-1:Cl-1:	B-4:P-4:Cl-1:Cl-1:	B-4:	B(BCl2P)(PC3)(Cl)2	B(BCl2P)(PC3)(Cl)2	Cl(BClBP)	B(BCl2P)(PC3)(Cl)2	B(BCl2P)(PC3)(Cl)2	Cl(BClBP)	112.6100	0.165	2	112.6100	0.027	2	112.6100	0.027	2	112.6100	0.027	2	113.0600	0.362	4	113.0600	0.362	4
610	610	818	0:SP3_SP2_SP3	B	B	C[5]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5]-3:B-4:H-1:H-1:	C[5]-3:B-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	B(C[5]N[5]2)(BC[5]HH)(H)2	B(C[5]N[5]2)(BC[5]HH)(H)2	C[5](N[5]C[6a]C[5])2(BBHH)	B(C[5]N[5]2)(BC[5]HH)(H)2	B(C[5]N[5]2)(BC[5]HH)(H)2	C[5](N[5]C[6a]C[5])2(BBHH){2|H<1>,4|C<3>}	107.2883	0.646	3	107.2883	0.417	3	107.2883	0.417	3	107.2883	0.417	3	108.3423	1.577	6	108.3423	1.577	6
610	610	818	0:SP3_SP2_SP3	B	B	C[5]	4:3:3:1:	4:3:3:1:	3:3:4:	B-4:B[5a]-3:C[5]-3:H-1:	B-4:B[5a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:B-4:	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(BB[5a]BH)	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(BB[5a]BH){4|C<3>,4|H<1>}	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.3963	0.193	3	108.3423	1.577	6	108.3423	1.577	6
610	610	818	0:SP3_SP2_SP3	B	B	C[5]	4:3:3:1:	4:3:3:1:	3:3:4:	B-4:C[6a]-3:C[5]-3:H-1:	B-4:C[6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:B-4:	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(BC[6a]BH)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(BC[6a]BH){2|C<4>}	109.2810	0.553	2	109.2810	0.306	2	109.2810	0.306	2	109.3963	0.193	3	108.3423	1.577	6	108.3423	1.577	6
610	610	830	0:SP3_SP-NON_SP3	B	B	F	4:3:3:1:	4:3:3:1:	4:	B-4:C[6a]-3:N[6]-3:F-1:	B-4:C[6a]-3:N[6]-3:F-1:	B-4:	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	F(BC[6a]N[6]B)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	F(BC[6a]N[6]B)	109.6275	0.771	2	109.6275	0.595	2	109.6275	0.595	2	109.6275	0.595	2	109.6275	0.595	2	109.6275	0.595	2
610	610	856	0:SP3_SP2_SP3	B	B	N[6]	4:3:3:1:	4:3:3:1:	3:3:4:	B-4:C[6a]-3:N[6]-3:F-1:	B-4:C[6a]-3:N[6]-3:F-1:	C[6]-3:C[6]-3:B-4:	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	N[6](C[6]C[6]H)2(BC[6a]BF)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	N[6](C[6]C[6]H)2(BC[6a]BF){1|C<3>,2|H<1>}	102.4610	0.967	2	102.4610	0.936	2	102.4610	0.936	2	102.4610	0.936	2	102.4610	0.936	2	102.4610	0.936	2
610	610	887	0:SP3_SP3_SP3	B	B	S	4:3:1:1:	4:3:1:1:	4:4:4:	B-4:S-3:Br-1:Br-1:	B-4:S-3:Br-1:Br-1:	B-4:C-4:C-4:	B(BBr2S)(SCC)(Br)2	B(BBr2S)(SCC)(Br)2	S(BBr2B)(CH3)2	B(BBr2S)(SCC)(Br)2	B(BBr2S)(SCC)(Br)2	S(BBr2B)(CH3)2	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	111.1117	4.735	3	111.1117	4.735	3	111.1117	4.735	3
610	610	887	0:SP3_SP3_SP3	B	B	S	4:3:1:1:	4:3:1:1:	4:4:4:	B-4:S-3:Cl-1:Cl-1:	B-4:S-3:Cl-1:Cl-1:	B-4:C-4:C-4:	B(BCl2S)(SCC)(Cl)2	B(BCl2S)(SCC)(Cl)2	S(BCl2B)(CH3)2	B(BCl2S)(SCC)(Cl)2	B(BCl2S)(SCC)(Cl)2	S(BCl2B)(CH3)2	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	111.1117	4.735	3	111.1117	4.735	3	111.1117	4.735	3
610	610	887	0:SP3_SP3_SP3	B	B	S	4:3:1:1:	4:3:1:1:	4:4:4:	B-4:S-3:I-1:I-1:	B-4:S-3:I-1:I-1:	B-4:C-4:C-4:	B(BIIS)(SCC)(I)2	B(BIIS)(SCC)(I)2	S(BBII)(CH3)2	B(BIIS)(SCC)(I)2	B(BIIS)(SCC)(I)2	S(BBII)(CH3)2	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	111.1117	4.735	3	111.1117	4.735	3	111.1117	4.735	3
610	610	924	0:SP3_SP-NON_SP3	B	B	Br	4:3:1:1:	4:3:1:1:	4:	B-4:S-3:Br-1:Br-1:	B-4:S-3:Br-1:Br-1:	B-4:	B(BBr2S)(SCC)(Br)2	B(BBr2S)(SCC)(Br)2	Br(BBrBS)	B(BBr2S)(SCC)(Br)2	B(BBr2S)(SCC)(Br)2	Br(BBrBS)	113.2345	0.441	2	113.2345	0.194	2	113.2345	0.194	2	113.2345	0.194	2	113.2345	0.194	2	113.2345	0.194	2
610	610	944	0:SP3_SP-NON_SP3	B	B	I	4:3:1:1:	4:3:1:1:	4:	B-4:S-3:I-1:I-1:	B-4:S-3:I-1:I-1:	B-4:	B(BIIS)(SCC)(I)2	B(BIIS)(SCC)(I)2	I(BBIS)	B(BIIS)(SCC)(I)2	B(BIIS)(SCC)(I)2	I(BBIS)	113.0680	0.939	2	113.0680	0.882	2	113.0680	0.882	2	113.0680	0.882	2	113.0680	0.882	2	113.0680	0.882	2
610	610	951	0:SP3_SP-NON_SP3	B	B	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:B-4:H-1:H-1:	C[5]-3:B-4:H-1:H-1:	B-4:	B(C[5]N[5]2)(BC[5]HH)(H)2	B(C[5]N[5]2)(BC[5]HH)(H)2	H(BC[5]BH)	B(C[5]N[5]2)(BC[5]HH)(H)2	B(C[5]N[5]2)(BC[5]HH)(H)2	H(BC[5]BH)	110.3153	1.982	6	110.3153	3.929	6	110.3153	3.929	6	110.3153	3.929	6	109.8416	3.394	9	109.8416	3.394	9
610	610	951	0:SP3_SP-NON_SP3	B	B	H	4:3:3:1:	4:3:3:1:	4:	B-4:B[5a]-3:C[5]-3:H-1:	B-4:B[5a]-3:C[5]-3:H-1:	B-4:	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	H(BB[5a]C[5]B)	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	B(BB[5a]C[5]H)(B[5a]O[5a]2)(C[5]N[5]2)(H)	H(BB[5a]C[5]B)	108.4020	0.000	1	108.4020	0.000	1	108.4020	0.000	1	108.8940	1.734	3	109.8416	3.394	9	109.8416	3.394	9
610	610	951	0:SP3_SP-NON_SP3	B	B	H	4:3:3:1:	4:3:3:1:	4:	B-4:C[6a]-3:C[5]-3:H-1:	B-4:C[6a]-3:C[5]-3:H-1:	B-4:	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	H(BC[6a]C[5]B)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	H(BC[6a]C[5]B)	109.1400	1.762	2	109.1400	3.105	2	109.1400	3.105	2	108.8940	1.734	3	109.8416	3.394	9	109.8416	3.394	9
610	610	992	0:SP3_SP3_SP3	B	B	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	B-4:P-4:Cl-1:Cl-1:	B-4:P-4:Cl-1:Cl-1:	B-4:C-4:C-4:C-4:	B(BCl2P)(PC3)(Cl)2	B(BCl2P)(PC3)(Cl)2	P(BCl2B)(CH3)3	B(BCl2P)(PC3)(Cl)2	B(BCl2P)(PC3)(Cl)2	P(BCl2B)(CH3)3	116.0730	0.000	1	116.0730	0.000	1	116.0730	0.000	1	116.0730	0.000	1	116.0730	0.000	1	116.0730	0.000	1
610	613	951	0:SP3_SP-NON_SP2	B	Ge[5a]	H	3:1:1:1:	3:3:4:	4:	Ge[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:B-4:	B-4:	B(Ge[5a]N[5a]2)(H)3	Ge[5a](N[5a]C[5a]C)2(BH3)	H(BGe[5a]HH)	B(Ge[5a]N[5a]2)(H)3	Ge[5a](N[5a]C[5a]C)2(BH3){2|C<3>}	H(BGe[5a]HH)	109.4193	0.045	3	109.4193	0.002	3	109.4193	0.002	3	109.4193	0.002	3	109.4193	0.002	3	109.4193	0.002	3
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2)	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2)	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2){1|C<3>,2|F<1>}	115.3630	0.881	3	115.3630	0.776	3	115.2770	0.547	4	115.6453	6.794	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2)	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2)	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2){1|C<3>,2|F<1>}	115.0190	0.000	1	115.0190	0.000	1	115.2770	0.547	4	115.6453	6.794	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	C[6a](C[6a]C[6a]F)2(BC[6a]ClH)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]ClH){1|C<3>,2|F<1>}	111.6200	0.000	1	111.6200	0.000	1	113.5605	7.531	2	115.6453	6.794	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,3|H<1>}	115.5010	0.000	1	115.5010	0.000	1	113.5605	7.531	2	115.6453	6.794	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(BC[6a]HH)	C[6a](C[6a]C[6a]C)2(BC[6a]HH)	B(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(BC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]HH){1|C<3>,2|H<1>}	118.4665	3.638	2	118.4665	13.236	2	118.4665	13.236	2	115.6453	6.794	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	112.8170	2.140	2	112.8170	4.578	2	112.8170	4.578	2	110.2505	4.710	12	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)2(BC[6a]HO)	C[6a](C[6a]C[6a]C)2(BC[6a]HO)	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)2(BC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]HO){1|C<3>,2|H<1>}	113.5780	0.000	1	113.5780	0.000	1	109.7372	3.492	10	110.2505	4.710	12	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	109.4198	1.873	5	109.4198	3.509	5	109.7372	3.492	10	110.2505	4.710	12	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(ON[6])(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	B(C[6a]C[6a]2)2(ON[6])(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	108.9410	0.000	1	108.9410	0.000	1	109.7372	3.492	10	110.2505	4.710	12	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	109.2513	0.630	3	109.2513	0.397	3	109.7372	3.492	10	110.2505	4.710	12	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	116.0630	0.000	1	116.0630	0.000	1	116.0630	0.000	1	112.1187	7.697	10	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(OB)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[6a]2)2(OB)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	113.9140	0.000	1	113.9140	0.000	1	111.6804	6.499	9	112.1187	7.697	10	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(OC)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[6a]2)2(OC)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	108.8240	0.000	1	108.8240	0.000	1	111.6804	6.499	9	112.1187	7.697	10	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(ON)2	C[6a](C[6a]C[6a]H)2(BC[6a]OO)	C[6a](C[6a]C[6a]H)2(BC[6a]OO)	B(C[6a]C[6a]2)2(ON)2	C[6a](C[6a]C[6a]H)2(BC[6a]OO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]OO){1|C<3>,2|H<1>}	112.8395	1.124	4	112.8395	1.263	4	111.6804	6.499	9	112.1187	7.697	10	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(ON[6])(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[6a]2)2(ON[6])(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	106.3230	0.000	1	106.3230	0.000	1	111.6804	6.499	9	112.1187	7.697	10	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(OP)2	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	B(C[6a]C[6a]2)2(OP)2	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	112.3525	0.268	2	112.3525	0.072	2	111.6804	6.499	9	112.1187	7.697	10	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(ON[6])(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(ON[6])(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	104.7570	0.000	1	104.7570	0.000	1	104.7570	0.000	1	104.7570	0.000	1	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(OC[5])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(OC[5])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	110.1030	1.296	5	110.1030	1.680	5	110.2174	1.032	8	110.2174	1.032	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(OC[6])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(OC[6])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	110.5860	0.000	1	110.5860	0.000	1	110.2174	1.032	8	110.2174	1.032	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:2:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(OS[5])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(OS[5])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	110.3190	0.529	2	110.3190	0.280	2	110.2174	1.032	8	110.2174	1.032	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCP)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	B(C[6a]C[6a]2)2(CCP)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	114.3960	0.000	1	114.3960	0.000	1	111.4522	16.641	4	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	110.4710	4.380	3	110.4710	19.185	3	111.4522	16.641	4	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	106.7350	0.000	1	106.7350	0.000	1	111.1246	16.509	10	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	109.4460	0.000	1	109.4460	0.000	1	111.1246	16.509	10	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	115.4810	0.000	1	115.4810	0.000	1	111.1246	16.509	10	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	110.9460	0.000	1	110.9460	0.000	1	111.1246	16.509	10	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	111.7074	5.117	5	111.7074	26.184	5	111.1246	16.509	10	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CHO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CHO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	110.1010	0.000	1	110.1010	0.000	1	111.1246	16.509	10	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]2Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]2Cl)	B(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]2Cl){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2Cl){1|C<3>,2|F<1>}	111.9480	4.167	15	111.9480	17.367	15	111.9480	17.367	15	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	112.2475	1.733	2	113.3049	24.785	8	113.3049	24.785	8	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	113.6573	5.788	6	113.3049	24.785	8	113.3049	24.785	8	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	114.5330	1.496	4	114.5330	2.237	4	111.6977	10.019	94	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F){2|F<1>,3|C<3>}	111.4760	2.157	3	111.4760	4.651	3	111.6977	10.019	94	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	114.9667	2.121	4	114.9667	4.500	4	111.6977	10.019	94	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	C[6a](C[6a]C[6a]H)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2F){1|C<3>,2|H<1>}	112.8625	6.385	4	112.8625	40.762	4	111.6977	10.019	94	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2F){1|C<3>,2|F<1>}	111.2850	2.864	75	111.2850	8.201	75	111.6977	10.019	94	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	110.5990	3.572	2	110.5990	12.761	2	111.6977	10.019	94	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[6a]2F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[6a]2F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	114.0660	7.311	2	114.0660	53.458	2	111.6977	10.019	94	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(Ga)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	B(C[6a]C[6a]2)3(Ga)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	114.0443	1.471	3	114.0443	2.162	3	114.0443	2.162	3	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	111.3150	6.132	2	111.3150	37.602	2	111.3150	37.602	2	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	112.8263	2.826	14	112.8263	7.986	14	112.8263	7.986	14	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	115.1930	0.000	1	115.1930	0.000	1	112.1035	6.381	209	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	107.2649	1.795	7	107.2649	3.224	7	112.1035	6.381	209	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	111.8203	1.294	4	111.8203	1.676	4	112.1035	6.381	209	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,1|F<1>,1|F<2>}	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	112.0070	0.054	2	112.3479	6.069	175	112.1035	6.381	209	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	112.3518	2.478	173	112.3479	6.069	175	112.1035	6.381	209	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	C[6a](C[6a]C[6a]H)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2H){1|C<3>,2|H<1>}	113.3325	2.108	2	113.3325	4.443	2	112.1035	6.381	209	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2H)	C[6a](C[6a]C[6a]H)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2H){1|C<3>,2|H<1>}	111.1844	1.377	18	111.1844	1.897	18	112.1035	6.381	209	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	113.7230	1.556	2	113.7230	2.420	2	112.1035	6.381	209	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	110.5985	4.212	6	110.5985	17.745	6	110.5985	17.745	6	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]ClN)	C[6a](C[6a]C[6a]F)2(BC[6a]ClN)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]ClN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]ClN){1|C<3>,2|F<1>}	109.8020	0.821	3	109.8020	0.674	3	109.8020	0.674	3	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	112.5720	5.452	2	112.5720	29.722	2	112.2435	18.218	4	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	108.4150	0.000	1	108.4150	0.000	1	112.2435	18.218	4	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	115.4150	0.000	1	115.4150	0.000	1	112.2435	18.218	4	111.9845	8.753	372	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[3]-3:C[6a]-3:C[6a]-3:Br-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	115.1795	2.136	2	115.1795	4.563	2	115.1795	4.563	2	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[3]-3:C[6a]-3:C[6a]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	114.8053	1.348	4	114.8053	1.816	4	114.8053	1.816	4	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.0075	0.869	2	113.0075	0.755	2	113.0075	0.755	2	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	116.6125	0.452	2	116.6125	0.204	2	117.0917	0.791	3	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	118.0500	0.000	1	118.0500	0.000	1	117.0917	0.791	3	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	115.1400	0.000	1	115.1400	0.000	1	115.1400	0.000	1	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	116.3882	0.716	4	116.3882	0.512	4	116.3882	0.512	4	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	117.5830	0.000	1	117.5830	0.000	1	117.5830	0.000	1	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	115.6740	1.048	2	115.6740	1.098	2	115.6740	1.098	2	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[5]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[5]H)(C[6a]C[6a]F)2	C[6a](BC[6a]N[5]H)(C[6a]C[6a]F)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	114.2220	0.000	1	114.2220	0.000	1	114.2220	0.000	1	115.4552	2.176	23	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	111.6205	2.641	2	111.6205	6.975	2	108.9335	11.954	4	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	106.3060	0.000	1	106.3060	0.000	1	108.9335	11.954	4	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	106.1870	0.000	1	106.1870	0.000	1	108.9335	11.954	4	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:I-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(ITe)	C[6a](C[6a]C[6a]F)2(BC[6a]CI)	C[6a](C[6a]C[6a]F)2(BC[6a]CI)	B(C[6a]C[6a]2)2(CC[6a]C)(ITe)	C[6a](C[6a]C[6a]F)2(BC[6a]CI){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CI){1|C<3>,2|F<1>}	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCS)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	B(C[6a]C[6a]2)2(CCS)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	111.8700	0.000	1	111.8700	0.000	1	111.8700	0.000	1	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	109.8045	3.597	2	109.8045	12.939	2	110.1598	11.927	4	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	113.8570	0.000	1	113.8570	0.000	1	110.1598	11.927	4	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	107.1730	0.000	1	107.1730	0.000	1	110.1598	11.927	4	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2C)	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	113.0610	0.175	2	113.0610	0.031	2	113.0610	0.031	2	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	117.4830	0.000	1	117.4830	0.000	1	111.5194	14.531	58	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	110.7588	3.809	30	110.7588	14.505	30	111.5194	14.531	58	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	110.2907	5.226	3	110.2907	27.313	3	111.5194	14.531	58	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	111.9845	0.059	2	111.9845	0.003	2	111.5194	14.531	58	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	113.4895	7.939	2	113.4895	63.023	2	111.5194	14.531	58	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	112.4665	3.587	12	112.4665	12.865	12	111.5194	14.531	58	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	C[6a](C[6a]C[6a]C)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]2C){1|C<3>,2|H<1>}	113.6120	7.528	2	113.6120	56.669	2	111.5194	14.531	58	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	111.5393	1.152	6	111.5393	1.328	6	111.5194	14.531	58	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(GaC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	B(C[6a]C[6a]2)3(GaC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	112.6889	4.537	12	112.6889	20.584	12	112.6889	20.584	12	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H)	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H){1|C<3>,2|H<1>}	112.6398	7.201	4	112.6398	51.856	4	112.1702	29.098	9	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H)	C[6a](C[6a]C[6a]H)2(BC[6a]2H)	B(C[6a]C[6a]2)3(HFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2H){1|C<3>,2|H<1>}	111.1905	1.408	2	111.1905	1.982	2	112.1702	29.098	9	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(HMg)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	B(C[6a]C[6a]2)3(HMg)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	112.1973	6.018	3	112.1973	36.214	3	112.1702	29.098	9	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:In-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(InC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2In)	C[6a](C[6a]C[6a]F)2(BC[6a]2In)	B(C[6a]C[6a]2)3(InC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2In){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2In){1|C<3>,2|F<1>}	113.1107	4.726	12	113.1107	22.338	12	113.1107	22.338	12	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	114.6513	4.127	4	114.6513	17.033	4	112.3736	9.797	118	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N){1|C<3>,2|H<1>}	111.3573	0.903	3	111.3573	0.816	3	112.3736	9.797	118	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	112.5862	3.610	54	112.5862	13.034	54	112.3736	9.797	118	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	112.1719	1.636	30	112.1719	2.676	30	112.3736	9.797	118	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NMo)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NMo)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	111.7610	0.903	6	111.7610	0.816	6	112.3736	9.797	118	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	112.8282	3.548	12	112.8282	12.585	12	112.3736	9.797	118	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NRe)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NRe)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	113.0217	0.875	3	113.0217	0.765	3	112.3736	9.797	118	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NTi)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NTi)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	109.8367	4.667	6	109.8367	21.784	6	112.3736	9.797	118	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2O)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2O){1|Pd<5>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	111.8600	2.509	2	111.8600	6.294	2	112.4410	6.449	4	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	113.0220	3.421	2	113.0220	11.703	2	112.4410	6.449	4	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	105.2710	0.000	1	105.2710	0.000	1	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	108.6500	0.000	1	108.6500	0.000	1	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OAs)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OAs)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.7897	5.535	3	111.7897	30.638	3	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.1290	3.729	2	111.1290	13.908	2	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.0317	4.838	190	111.0317	23.408	190	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O){1|C<3>,2|H<1>}	105.4975	0.192	2	105.4975	0.037	2	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	111.9787	3.386	4	111.9787	11.464	4	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	112.4965	2.766	6	112.4965	7.653	6	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC[3,3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[3,3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	110.6135	5.799	6	110.6135	33.625	6	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC[3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	112.1243	3.241	3	112.1243	10.504	3	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	112.4680	4.739	30	112.4680	22.462	30	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	111.6223	3.586	3	111.6223	12.858	3	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	112.2823	4.216	21	112.2823	17.777	21	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.4721	4.315	27	111.4721	18.621	27	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	110.0055	4.596	27	110.0055	21.120	27	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C)2(BC[6a]2O)	C[6a](C[6a]C[6a]C)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C)2(BC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]2O){1|C<3>,2|H<1>}	112.0790	0.000	1	112.0790	0.000	1	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C)2(BC[6a]2O)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C)2(BC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	112.2620	7.644	2	112.2620	58.428	2	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)2(BC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	114.2630	3.858	2	114.2630	14.884	2	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	110.3902	4.734	44	110.3902	22.415	44	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.8138	3.765	34	111.8138	14.178	34	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	109.9200	5.552	2	109.9200	30.827	2	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(ON[6,6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON[6,6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.9630	5.370	6	111.9630	28.837	6	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(ON[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ON[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	110.6003	7.337	3	110.6003	53.834	3	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(ONb[5x3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ONb[5x3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	113.8983	0.769	3	113.8983	0.592	3	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.5524	4.276	27	111.5524	18.283	27	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(ORe)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ORe)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	112.8378	2.818	6	112.8378	7.942	6	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.7150	3.967	12	111.7150	15.739	12	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OSb)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OSb)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	110.1580	5.523	6	110.1580	30.503	6	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OTa)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OTa)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	112.7757	1.641	3	112.7757	2.691	3	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OTi)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OTi)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	109.8920	0.810	3	109.8920	0.656	3	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OW)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OW)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	112.2600	3.598	12	112.2600	12.945	12	111.2661	20.359	492	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	109.8710	6.545	3	109.8710	42.842	3	110.5024	23.074	9	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(SC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	110.8182	4.407	6	110.8182	19.423	6	110.5024	23.074	9	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NCC)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	B(C[6a]C[6a]2)2(NCC)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	107.2420	0.000	1	107.2420	0.000	1	107.2420	0.000	1	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]NO)	C[6a](C[6a]C[6a]F)2(BC[6a]NO)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]NO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]NO){1|C<3>,2|F<1>}	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	111.5100	18.211	728	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:N-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	114.2205	0.658	2	114.2205	0.433	2	114.2205	0.433	2	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	113.6896	1.516	5	113.6896	2.297	5	113.6896	2.297	5	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	118.8255	2.074	2	118.8255	4.301	2	118.8255	4.301	2	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.1905	0.248	2	110.1905	0.062	2	110.1905	0.062	2	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	117.0730	0.000	1	117.0730	0.000	1	114.9990	8.603	2	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.9250	0.000	1	112.9250	0.000	1	114.9990	8.603	2	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(CC)	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(CC)	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	113.8159	8.178	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	110.7483	2.779	6	110.7483	7.725	6	111.8312	7.558	9	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(CTeC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CC[6a]C)(CTeC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	114.3455	0.059	2	114.3455	0.003	2	111.8312	7.558	9	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CSiC)(CZrC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CSiC)(CZrC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	113.3000	0.000	1	113.3000	0.000	1	111.8312	7.558	9	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	113.0740	4.744	6	113.0740	22.503	6	113.0740	22.503	6	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	106.2683	4.575	3	106.2683	20.933	3	109.7796	21.964	102	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.6219	5.422	18	109.6219	29.394	18	109.7796	21.964	102	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.9134	4.598	54	109.9134	21.140	54	109.7796	21.964	102	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CCP)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCP)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	110.4977	6.666	3	110.4977	44.439	3	109.7796	21.964	102	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CC[3]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[3]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	110.5705	4.090	6	110.5705	16.727	6	109.7796	21.964	102	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CC[5]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[5]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.7251	4.441	15	109.7251	19.726	15	109.7796	21.964	102	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CSiC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CSiC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.8007	5.653	3	109.8007	31.961	3	109.7796	21.964	102	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]F)2(BC[6a]3)	C[6a](C[6a]C[6a]F)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,1|F<1>,1|F<2>}	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,2|F<1>}	109.2955	6.041	18	109.5016	32.566	2481	109.4748	14.300	10290	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]F)2(BC[6a]3)	C[6a](C[6a]C[6a]F)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]3){1|C<3>,2|F<1>}	109.5031	5.705	2463	109.5016	32.566	2481	109.4748	14.300	10290	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3)	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|C<4>,1|C<7>}	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|C<4>}	108.6867	1.648	3	109.4664	8.500	7809	109.4748	14.300	10290	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3)	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|H<1>}	110.3972	1.647	6	109.4664	8.500	7809	109.4748	14.300	10290	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3)	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|H<1>}	108.9048	4.425	12	109.4664	8.500	7809	109.4748	14.300	10290	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3)	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|C<4>}	109.4695	3.896	1097	109.4664	8.500	7809	109.4748	14.300	10290	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3)	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<4>,2|C<3>}	109.4663	0.518	3	109.4664	8.500	7809	109.4748	14.300	10290	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3)	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]3){1|C<3>,2|H<1>}	109.4672	2.700	6590	109.4664	8.500	7809	109.4748	14.300	10290	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3)	C[6a](C[6a]C[6a]H)2(BC[6a]3)	B(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(BC[6a]3){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(BC[6a]3){2|Cl<1>,1|C<3>}	109.4134	3.860	98	109.4664	8.500	7809	109.4748	14.300	10290	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NBH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NBH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	109.6282	6.526	6	109.6282	42.585	6	110.2432	30.732	45	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	110.6395	6.449	15	110.6395	41.583	15	110.2432	30.732	45	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	110.8478	4.796	9	110.8478	22.998	9	110.2432	30.732	45	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	110.4122	4.475	6	110.4122	20.028	6	110.2432	30.732	45	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NGe[5]Si)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NGe[5]Si)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	107.7441	8.576	3	107.7441	73.553	3	110.2432	30.732	45	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	110.0408	4.446	6	110.0408	19.765	6	110.2432	30.732	45	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	115.0660	5.160	2	115.0660	26.630	2	115.0660	26.630	2	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	107.5270	0.000	1	107.5270	0.000	1	111.6588	20.271	70	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OBH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OBH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	110.9322	4.605	12	110.9322	21.203	12	111.6588	20.271	70	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	112.0295	6.077	6	112.0295	36.925	6	111.6588	20.271	70	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OCoH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OCoH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.0107	1.946	6	111.0107	3.787	6	111.6588	20.271	70	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O)	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O){1|H<1>,2|C<3>}	112.7752	1.503	6	112.7752	2.259	6	111.6588	20.271	70	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	112.6255	3.274	21	112.6255	10.718	21	111.6588	20.271	70	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(ONiH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(ONiH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	108.2673	7.016	3	108.2673	49.221	3	111.6588	20.271	70	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OPtH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OPtH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	111.7532	6.543	12	111.7532	42.809	12	111.6588	20.271	70	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OSnH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	B(C[6a]C[6a]2)3(OSnH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	110.5100	6.102	3	110.5100	37.233	3	111.6588	20.271	70	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(SCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	113.4957	1.803	6	113.4957	3.250	6	112.8129	12.294	9	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(SC[6a]Li)	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	B(C[6a]C[6a]2)3(SC[6a]Li)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	111.4473	6.071	3	111.4473	36.855	3	112.8129	12.294	9	109.5036	14.532	10533	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:B-4:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.2475	0.610	2	112.2475	0.372	2	112.2475	0.372	2	110.6947	1.418	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:B-4:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[5])(C[6a]C[6a]H)	C[6a](BC[6a]2N[5])(C[6a]C[6a]C)2	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	110.0365	0.172	2	110.0365	0.030	2	110.0365	0.030	2	110.6947	1.418	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:B-4:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[6])(C[6a]C[6a]H)	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	110.2475	1.006	4	110.2475	1.012	4	110.2475	1.012	4	110.6947	1.418	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	B-4:C[6a]-3:N[6a]-2:	B-4:C[6a]-3:N[6a]-2:	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a])	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	108.2548	2.515	5	108.2548	6.325	5	108.2548	6.325	5	108.2548	6.325	5	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	B-4:C[6a]-3:N[6a]-2:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.6474	2.121	9	110.6474	4.499	9	110.6474	4.499	9	110.6474	4.499	9	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[3]C[3]P[3])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[3])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[3])(C[6a]C[6a]F)2	B(C[3]C[3]P[3])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[3])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[3])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.3332	5.422	6	111.3332	29.396	6	111.3332	29.396	6	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	108.9530	7.316	3	108.9530	53.526	3	109.1910	14.412	57	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.0398	3.649	45	109.0398	13.315	45	109.1910	14.412	57	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.6642	1.869	6	110.6642	3.495	6	109.1910	14.412	57	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	108.7503	6.400	3	108.7503	40.966	3	109.1910	14.412	57	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](BC[5a]C[6a]2)(C[6a]C[6a]F)2	C[6a](BC[5a]C[6a]2)(C[6a]C[6a]F)2	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](BC[5a]C[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[5a]C[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	108.5266	8.659	3	108.5266	74.972	3	108.5266	74.972	3	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	116.3050	0.000	1	116.3050	0.000	1	116.3050	0.000	1	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	99.0388	0.000	1	99.0388	0.000	1	99.0388	0.000	1	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:B[5]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(B[5]O[5]2)(N[6]C[6]2)	C[6a](BC[6a]B[5]N[6])(C[6a]C[6a]C)2	C[6a](BC[6a]B[5]N[6])(C[6a]C[6a]C)2	B(C[6a]C[6a]2)2(B[5]O[5]2)(N[6]C[6]2)	C[6a](BC[6a]B[5]N[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](BC[6a]B[5]N[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	101.3010	0.000	1	101.3010	0.000	1	101.3010	0.000	1	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.4284	0.324	5	110.4284	0.105	5	110.4284	0.105	5	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[3]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(C[3]C[3]2)	C[6a](BC[6a]2C[3])(C[6a]C[6a]H)2	C[6a](BC[6a]2C[3])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(C[3]C[3]2)	C[6a](BC[6a]2C[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2C[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.7103	1.482	6	110.7103	2.196	6	110.7103	2.196	6	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	108.5244	5.905	9	108.5244	34.864	9	109.5896	23.895	21	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.6628	2.230	6	109.6628	4.975	6	109.5896	23.895	21	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(C[5]S[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[5]S[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.1140	5.476	6	111.1140	29.987	6	109.5896	23.895	21	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.5038	5.128	9	109.5038	26.300	9	109.5507	13.603	39	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	109.6822	4.059	6	109.5647	10.569	30	109.5507	13.603	39	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.5354	3.121	24	109.5647	10.569	30	109.5507	13.603	39	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:Ga[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](BC[6a]2Ga[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2Ga[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](BC[6a]2Ga[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2Ga[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.1913	4.188	6	111.1913	17.536	6	111.1913	17.536	6	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](BC[6a]2N[5])(C[6a]C[6a]C)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]C)2	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](BC[6a]2N[5])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	121.0210	0.000	1	121.0210	0.000	1	110.8881	27.850	52	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.5514	5.395	45	110.5514	29.110	45	110.8881	27.850	52	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.7245	2.347	6	111.7245	5.509	6	110.8881	27.850	52	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	119.6245	0.091	2	119.6245	0.008	2	111.3510	28.242	112	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.2036	5.388	104	111.2036	29.033	104	111.3510	28.242	112	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.1485	1.001	6	111.1485	1.001	6	111.3510	28.242	112	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](BC[6a]2O[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2O[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](BC[6a]2O[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2O[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.5417	5.514	3	111.5417	30.404	3	112.6053	20.392	6	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](BC[6a]2O[5])(C[6a]C[6a]H)2	C[6a](BC[6a]2O[5])(C[6a]C[6a]H)2	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](BC[6a]2O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.6690	4.145	3	113.6690	17.183	3	112.6053	20.392	6	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:P[3]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(P[3]P[3,3]2)	C[6a](BC[6a]2P[3])(C[6a]C[6a]F)2	C[6a](BC[6a]2P[3])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(P[3]P[3,3]2)	C[6a](BC[6a]2P[3])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2P[3])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.3000	6.611	3	110.3000	43.709	3	110.3000	43.709	3	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:S[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(S[5]C[5]2)	C[6a](BC[6a]2S[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2S[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(S[5]C[5]2)	C[6a](BC[6a]2S[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2S[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	113.7913	1.667	3	113.7913	2.779	3	113.7913	2.779	3	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:S[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(S[6]C[6]2)	C[6a](BC[6a]2S[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2S[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(S[6]C[6]2)	C[6a](BC[6a]2S[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2S[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	113.7977	0.103	3	113.7977	0.011	3	113.7977	0.011	3	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[5]C[5]2)2	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(N[5]C[5]2)2	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.9002	2.889	4	110.9002	8.346	4	110.9002	8.346	4	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.0970	0.000	1	112.0970	0.000	1	113.5500	4.222	2	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	115.0030	0.000	1	115.0030	0.000	1	113.5500	4.222	2	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:P-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.5434	4.773	18	110.5434	22.785	18	111.5207	15.767	36	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.3363	1.761	3	112.3363	3.099	3	111.5207	15.767	36	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5,6a]S[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(N[5]C[5,6a]S[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.3790	4.162	3	112.3790	17.326	3	111.5207	15.767	36	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	B(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.6633	1.462	3	112.6633	2.138	3	111.5207	15.767	36	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.6060	5.524	3	112.6060	30.517	3	111.5207	15.767	36	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.5018	2.178	6	112.5018	4.744	6	111.5207	15.767	36	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:O-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(OReC)	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(OReC)	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.8895	1.309	2	114.8895	1.713	2	115.9857	4.461	3	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:O-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(ORhH)	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(ORhH)	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]N[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	118.1780	0.000	1	118.1780	0.000	1	115.9857	4.461	3	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2	B(N[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]N[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.5563	0.802	9	113.5563	0.644	9	113.5563	0.644	9	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5a])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[5a])(C[6a]C[6a]F)2	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[5a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.6793	5.940	3	109.6793	35.286	3	109.6793	35.286	3	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	102.2260	0.000	1	102.2260	0.000	1	102.2260	0.000	1	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	C[6a](BN[6,6]C[6a]2)(C[6a]C[6a]F)2	C[6a](BN[6,6]C[6a]2)(C[6a]C[6a]F)2	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	C[6a](BN[6,6]C[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BN[6,6]C[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.6697	7.262	3	110.6697	52.741	3	110.6697	52.741	3	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.6263	7.519	9	110.6263	56.540	9	110.6263	56.540	9	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	P[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(P[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2	B(P[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.6897	6.409	3	112.6897	41.073	3	112.6897	41.073	3	110.7596	23.145	400	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.6377	5.194	3	109.6377	26.978	3	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.3289	4.734	63	109.3289	22.414	63	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	110.5173	2.724	3	110.5173	7.418	3	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CC[3]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[3]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.2397	5.945	3	109.2397	35.342	3	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CC[5]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[5]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.4110	4.648	15	109.4110	21.602	15	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CC[6]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[6]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	108.8807	5.813	18	108.8807	33.792	18	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CC[6]HP)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[6]HP)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	108.4470	8.114	3	108.4470	65.832	3	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.1887	5.947	6	109.1887	35.361	6	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,1|F<1>,1|F<2>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	106.0770	5.364	2	109.4943	18.206	68	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.5978	4.237	66	109.4943	18.206	68	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CHHP)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CHHP)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.2172	5.844	6	109.2172	34.150	6	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CHHP)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	C[6a](C[6a]C[6a]H)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CHHP)	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2C){1|C<3>,2|H<1>}	109.6003	3.998	3	109.6003	15.981	3	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CSiHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CSiHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	109.5213	5.064	3	109.5213	25.641	3	109.3592	21.767	194	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(GaS3)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	B(C[6a]C[6a]2)3(GaS3)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	113.7985	0.650	6	113.7985	0.422	6	113.7985	0.422	6	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:In-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(InS3)	C[6a](C[6a]C[6a]F)2(BC[6a]2In)	C[6a](C[6a]C[6a]F)2(BC[6a]2In)	B(C[6a]C[6a]2)3(InS3)	C[6a](C[6a]C[6a]F)2(BC[6a]2In){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2In){1|C<3>,2|F<1>}	115.5667	1.075	6	115.5667	1.156	6	115.5667	1.156	6	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N)	C[6a](C[6a]C[6a]C)2(BC[6a]2N)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(BC[6a]2N){1|C<3>,2|H<1>}	113.1655	9.257	2	113.1655	85.687	2	113.1655	85.687	2	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	110.7855	6.615	2	110.7855	43.758	2	110.7855	43.758	2	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[6a]C[6a]C)2(BC[6a]2N)	C[6a](C[6a]C[6a]C)2(BC[6a]2N)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[6a]C[6a]C)2(BC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(BC[6a]2N){1|C<3>,2|H<1>}	118.6700	0.000	1	118.6700	0.000	1	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	111.2400	0.000	1	111.2400	0.000	1	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	109.7419	5.304	102	109.7419	28.132	102	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|C<4>}	110.5557	5.620	3	110.5557	31.589	3	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	110.7343	1.079	3	110.7343	1.164	3	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	110.3523	7.800	3	110.3523	60.841	3	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	111.1732	5.145	12	111.1732	26.469	12	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	109.7122	6.637	6	109.7122	44.049	6	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	111.9538	5.333	9	111.9538	28.443	9	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	111.9577	3.842	6	111.9577	14.764	6	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	112.1317	3.488	21	112.1317	12.164	21	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	112.3287	1.100	6	112.3287	1.210	6	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	111.9447	6.010	3	112.3966	19.948	9	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|H<1>}	112.6225	4.158	6	112.3966	19.948	9	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|F<1>}	113.7497	0.933	3	113.7497	0.871	3	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(NTiHO)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	B(C[6a]C[6a]2)3(NTiHO)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	110.7267	4.114	3	110.7267	16.923	3	110.6592	24.536	188	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PBCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PBCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	110.6150	4.986	3	110.6150	24.856	3	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	112.9887	1.237	6	112.9887	1.530	6	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P)	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BC[6a]2P){1|C<3>,2|F<1>}	110.5813	0.672	3	110.5813	0.452	3	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	112.2979	1.397	12	112.2979	1.950	12	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	111.8472	4.225	9	111.8472	17.849	9	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PCCN)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PCCN)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	109.2480	5.934	6	109.2480	35.213	6	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PCOO)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PCOO)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	111.1258	3.981	6	111.1258	15.845	6	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC[5]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[5]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	111.3773	6.650	3	111.3773	44.226	3	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC[6]3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6]3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	111.9649	1.119	9	111.9649	1.253	9	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC[6a]2B)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]2B)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	111.8517	1.765	3	111.8517	3.115	3	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	113.0453	3.915	6	113.0453	15.329	6	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC[6a]3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	113.2927	0.073	3	113.2927	0.005	3	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	112.7283	4.927	6	112.7283	24.278	6	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PC[6a]SiH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PC[6a]SiH)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	113.4000	1.315	3	113.4000	1.730	3	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PNiSiH)	C[6a](C[6a]C[6a]H)2(BC[6a]2P)	C[6a](C[6a]C[6a]H)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PNiSiH)	C[6a](C[6a]C[6a]H)2(BC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]2P){1|C<3>,2|H<1>}	113.6400	2.212	3	113.6400	4.895	3	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	C[6a](C[6a]C[6a]F)2(BC[6a]2P)	B(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2P){1|C<3>,2|F<1>}	112.8193	0.828	6	112.8193	0.686	6	112.0447	10.465	87	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]F)2(BC[6a]2Si)	C[6a](C[6a]C[6a]F)2(BC[6a]2Si)	B(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]F)2(BC[6a]2Si){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2Si){1|C<3>,2|F<1>}	112.1593	1.597	3	112.1593	2.552	3	112.1593	2.552	3	110.5083	21.640	488	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(C[5]C[5]2V)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[5]C[5]2V)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.7863	5.357	9	109.7863	28.694	9	109.7863	28.694	9	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.5320	5.563	6	109.5320	30.945	6	109.5320	30.945	6	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[5]C[5]2H)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(N[5]C[5]2H)	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.2620	5.145	6	110.2620	26.468	6	110.2620	26.468	6	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(N[6]C[6]2H)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(N[6]C[6]2H)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.4653	6.046	15	110.4653	36.557	15	110.4653	36.557	15	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:P[5]-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)3(P[5]O[5]2C)	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)3(P[5]O[5]2C)	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.9823	3.891	3	111.9823	15.143	3	111.9823	15.143	3	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	113.1735	4.168	4	113.1735	17.370	4	110.5979	28.116	8	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	103.3515	1.445	2	103.3515	2.087	2	110.5979	28.116	8	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]H)2	C[6a](BC[6a]N[6]C)(C[6a]C[6a]H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]N[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.6260	0.000	1	111.6260	0.000	1	110.5979	28.116	8	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	113.7600	0.000	1	113.7600	0.000	1	110.5979	28.116	8	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CCHH)	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CCHH)	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	110.4124	26.808	49	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:5:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-5:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CTiCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CTiCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	110.5803	5.590	3	110.5803	31.253	3	110.9797	13.223	6	110.9797	13.223	6	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:3:5:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-5:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)3(CZrH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	B(C[6a]C[6a]2)3(CZrH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	111.3790	1.152	3	111.3790	1.327	3	110.9797	13.223	6	110.9797	13.223	6	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	110.3280	0.000	1	110.3280	0.000	1	108.9319	8.084	9	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	107.8205	1.652	6	107.8205	2.729	6	108.9319	8.084	9	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CCHP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	115.2940	0.000	1	115.2940	0.000	1	108.9319	8.084	9	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	107.8420	0.000	1	107.8420	0.000	1	108.9319	8.084	9	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:I-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(I)	C[6a](C[6a]C[6a]F)2(BC[6a]CI)	C[6a](C[6a]C[6a]F)2(BC[6a]CI)	B(C[6a]C[6a]2)2(CCHH)(I)	C[6a](C[6a]C[6a]F)2(BC[6a]CI){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CI){1|C<3>,2|F<1>}	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	112.7010	0.000	1	112.7010	0.000	1	108.9585	28.013	2	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NLiHH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	B(C[6a]C[6a]2)2(NLiHH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	105.2160	0.000	1	105.2160	0.000	1	108.9585	28.013	2	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	B(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	114.3860	0.348	2	114.3860	0.121	2	114.0822	12.847	5	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(PC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	B(C[6a]C[6a]2)2(PC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	110.6320	0.000	1	110.6320	0.000	1	114.0822	12.847	5	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(PC[6a]2H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	B(C[6a]C[6a]2)2(PC[6a]2H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	111.3120	0.000	1	111.3120	0.000	1	114.0822	12.847	5	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	B(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	119.6950	0.000	1	119.6950	0.000	1	114.0822	12.847	5	110.6015	14.747	17	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2W)(Cl)	C[6a](BC[6a]C[5]Cl)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]Cl)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2W)(Cl)	C[6a](BC[6a]C[5]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	109.2272	3.204	6	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.7665	0.257	2	110.7665	0.066	2	110.7665	0.066	2	109.2272	3.204	6	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	108.4513	2.103	3	108.4513	4.422	3	108.4513	4.422	3	109.2272	3.204	6	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	108.9060	0.000	1	108.9060	0.000	1	109.1694	4.178	13	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	106.4300	0.000	1	106.4300	0.000	1	109.1694	4.178	13	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	106.1165	2.686	2	106.1165	7.216	2	109.1694	4.178	13	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	110.2018	1.009	6	110.2018	1.017	6	109.1694	4.178	13	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	109.8260	0.000	1	109.8260	0.000	1	109.1694	4.178	13	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CHHP)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHP)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	110.2980	1.498	2	110.2980	2.243	2	109.1694	4.178	13	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	B(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	110.3870	2.617	3	110.3870	6.847	3	107.1506	10.060	8	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	105.7490	0.000	1	105.7490	0.000	1	107.1506	10.060	8	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	104.4750	0.000	1	104.4750	0.000	1	107.1506	10.060	8	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	106.1290	1.100	2	106.1290	1.211	2	107.1506	10.060	8	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHP)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHP)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	103.5620	0.000	1	103.5620	0.000	1	107.1506	10.060	8	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NHHN)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CN)	C[6a](C[6a]C[6a]H)2(BC[6a]CN)	B(C[6a]C[6a]2)2(NHHN)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]CN){1|C<3>,2|H<1>}	113.3345	0.909	4	113.3345	0.827	4	113.3345	0.827	4	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO){1|C<3>,2|H<1>}	113.3850	0.000	1	113.3850	0.000	1	112.1884	0.912	5	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	112.1795	0.460	2	111.7163	0.750	3	112.1884	0.912	5	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|H<1>}	110.7900	0.000	1	111.7163	0.750	3	112.1884	0.912	5	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(NCHH)(OH)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	B(C[6a]C[6a]2)2(NCHH)(OH)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	112.4080	0.000	1	112.4080	0.000	1	112.1884	0.912	5	109.7261	8.912	31	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.1617	2.149	3	110.1617	4.619	3	109.9202	3.313	4	109.8989	5.134	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.1960	0.000	1	109.1960	0.000	1	109.9202	3.313	4	109.8989	5.134	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	109.8989	5.134	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	109.8989	5.134	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.1910	0.272	2	111.1910	0.074	2	111.1910	0.074	2	109.8989	5.134	8	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	112.5940	0.000	1	112.5940	0.000	1	107.5015	14.172	4	107.2798	10.875	5	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CH3)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CH3)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	103.6140	0.000	1	103.6140	0.000	1	107.5015	14.172	4	107.2798	10.875	5	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CHHS)(CRhC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHS)(CRhC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	106.8990	0.863	2	106.8990	0.744	2	107.5015	14.172	4	107.2798	10.875	5	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(OLiC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	B(C[6a]C[6a]2)2(CCHH)(OLiC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	107.2798	10.875	5	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.8630	0.000	1	112.8630	0.000	1	112.8630	0.000	1	109.6805	20.257	2	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	106.4980	0.000	1	106.4980	0.000	1	106.4980	0.000	1	109.6805	20.257	2	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCCH)(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCCH)(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	111.0690	0.000	1	111.0690	0.000	1	107.3601	5.562	38	107.3601	5.562	38	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(CH3)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CH3)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	108.0207	2.263	3	108.0207	5.119	3	107.3601	5.562	38	107.3601	5.562	38	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)(CHHS)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)(CHHS)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	106.1070	0.000	1	106.1070	0.000	1	107.3601	5.562	38	107.3601	5.562	38	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CCHH)2	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CCHH)2	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	106.9160	0.881	2	106.9160	0.776	2	107.3601	5.562	38	107.3601	5.562	38	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CHHN)2	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHN)2	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	105.4030	0.000	1	105.4030	0.000	1	107.3601	5.562	38	107.3601	5.562	38	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CHHP)2	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHP)2	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|C<4>}	106.1440	0.963	2	107.2300	6.513	27	107.3601	5.562	38	107.3601	5.562	38	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CHHP)2	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHP)2	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	107.3168	2.629	25	107.2300	6.513	27	107.3601	5.562	38	107.3601	5.562	38	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CHHS)2	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CHHS)2	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(BC[6a]CC){1|C<3>,2|H<1>}	108.0010	1.207	3	108.0010	1.458	3	107.3601	5.562	38	107.3601	5.562	38	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:3:5:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-5:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(C[6a]C[6a]2)2(CZrH3)(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(C[6a]C[6a]2)2(CZrH3)(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	3:4:3:3:	3:4:3:	4:3:3:	C[6a]-3:C[6]-4:C[6a]-3:N-3:	C[6,6a]-3:B-4:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6,6a]C[6,6a]S[6])(BC[6a]C[6]N)(C[6a]C[6a]H)	C[6a](BC[6a]C[6]N)(C[6a]C[6a]H)2	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6,6a]C[6,6a]S[6])(BC[6a]C[6]N)(C[6a]C[6a]H){1|Rh<6>,2|C<3>,2|C<4>}	C[6a](BC[6a]C[6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[3,3,5]-4:C[6a]-3:C[6a]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[3,3,5]C[3,3,5]2Nb[10x3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[3,3,5]C[6a]Cl)(C[6a]C[6a]F)2	C[6a](BC[3,3,5]C[6a]Cl)(C[6a]C[6a]F)2	B(C[3,3,5]C[3,3,5]2Nb[10x3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[3,3,5]C[6a]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[3,3,5]C[6a]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](BC[5,6]C[6a]H)(C[6a]C[6a]F)2	C[6a](BC[5,6]C[6a]H)(C[6a]C[6a]F)2	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](BC[5,6]C[6a]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[5,6]C[6a]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	107.2295	1.435	2	107.2295	2.058	2	107.2295	2.058	2	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.0920	0.000	1	112.0920	0.000	1	108.7138	5.349	4	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	106.8840	0.000	1	106.8840	0.000	1	108.7138	5.349	4	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	107.9395	0.296	2	107.9395	0.088	2	108.7138	5.349	4	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P)	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6]C[6]2Fe)(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[6]F)(C[6a]C[6a]C)2	C[6a](BC[6a]C[6]F)(C[6a]C[6a]C)2	B(C[6]C[6]2Fe)(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[6]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](BC[6a]C[6]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](BC[6a]C[6]H)(C[6a]C[6a]H)2	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	N[6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.0875	1.694	2	112.0875	2.868	2	112.0875	2.868	2	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.9545	0.136	2	110.9545	0.019	2	110.9545	0.019	2	109.4734	5.365	15	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:2:	3:3:4:	3:3:4:	C-4:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:B-4:	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	C[6a](BC[5,6]C[6a]C)(C[6a]C[6a]F)2	C[6a](BC[5,6]C[6a]C)(C[6a]C[6a]F)2	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	C[6a](BC[5,6]C[6a]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[5,6]C[6a]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	110.5725	1.702	2	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CN)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CN)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	110.5725	1.702	2	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	107.9299	7.907	3	107.9299	62.520	3	109.4524	28.613	15	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]2Cr)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5]2Cr)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.6723	4.670	9	109.6723	21.813	9	109.4524	28.613	15	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.3153	6.761	3	110.3153	45.705	3	109.4524	28.613	15	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	102.1350	0.000	1	102.1350	0.000	1	103.6760	2.134	3	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	103.8520	0.000	1	103.8520	0.000	1	103.6760	2.134	3	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	105.0410	0.000	1	105.0410	0.000	1	103.6760	2.134	3	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	106.5885	1.197	2	106.5885	1.433	2	106.5885	1.433	2	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6]C[6]2Ru)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	B(C[6]C[6]2Ru)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.8568	1.717	6	109.8568	2.947	6	109.8190	10.960	12	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.7812	4.600	6	109.7812	21.161	6	109.8190	10.960	12	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	Ge[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(Ge[5]C[5]2Hf)(C[6a]C[6a]2)3	C[6a](BC[6a]2Ge[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2Ge[5])(C[6a]C[6a]F)2	B(Ge[5]C[5]2Hf)(C[6a]C[6a]2)3	C[6a](BC[6a]2Ge[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2Ge[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.6210	4.667	3	112.6210	21.783	3	112.6210	21.783	3	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	Ge[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(Ge[6]N[6,6]N[6]Cl)(C[6a]C[6a]2)3	C[6a](BC[6a]2Ge[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2Ge[6])(C[6a]C[6a]F)2	B(Ge[6]N[6,6]N[6]Cl)(C[6a]C[6a]2)3	C[6a](BC[6a]2Ge[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2Ge[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	112.7343	5.863	3	112.7343	34.377	3	112.7343	34.377	3	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	N[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	111.1797	7.697	3	111.1797	59.250	3	111.1797	59.250	3	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	N[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.7310	6.311	3	109.7310	39.833	3	109.7310	39.833	3	109.4653	24.196	45	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[5]C[5]2Fe)2(C[6a]C[6a]2)2	C[6a](BC[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](BC[6a]C[5]2)(C[6a]C[6a]H)2	B(C[5]C[5]2Fe)2(C[6a]C[6a]2)2	C[6a](BC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	106.7062	2.951	6	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6]C[6]2Cu)2(C[6a]C[6a]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	B(C[6]C[6]2Cu)2(C[6a]C[6a]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	105.3560	0.781	3	105.3560	0.609	3	106.1792	1.606	5	106.7062	2.951	6	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[6]C[6]2Yb)2(C[6a]C[6a]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	B(C[6]C[6]2Yb)2(C[6a]C[6a]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	107.4140	0.352	2	107.4140	0.124	2	106.1792	1.606	5	106.7062	2.951	6	109.7884	15.580	12857	109.7884	15.580	12857
610	643	643	0:SP3_SP2_SP2	B	C[6a]	C[6a]	5:3:3:3:	4:3:3:	4:3:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.5745	1.320	2	110.5745	1.743	2	110.5745	1.743	2	110.5745	1.743	2	109.7884	15.580	12857	109.7884	15.580	12857
610	643	690	0:SP3_SP-NON_SP2	B	C[6a]	Ga	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:	B(C[6a]C[6a]2)3(GaC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	Ga(C[6a]C[6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(GaC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	Ga(C[6a]C[6a]2)(BC[6a]3)	105.9655	1.353	12	105.9655	1.831	12	105.9655	1.831	12	105.9655	1.831	12	105.9655	1.831	12	105.9655	1.831	12
610	643	710	0:SP3_SP-NON_SP2	B	C[6a]	Ga	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(Ga)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga)	Ga(BC[6a]3)	B(C[6a]C[6a]2)3(Ga)	C[6a](C[6a]C[6a]F)2(BC[6a]2Ga){1|C<3>,2|F<1>}	Ga(BC[6a]3)	104.3847	1.214	3	104.3847	1.473	3	104.3847	1.473	3	104.3847	1.473	3	104.3847	1.473	3	104.3847	1.473	3
610	643	727	0:SP3_SP2_SP2	B	C[6a]	C[5a]	3:3:3:1:	4:3:3:	3:2:4:	C[5a]-3:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:B-4:	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2F)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2F){1|C<2>,1|H<1>}	112.3870	6.153	8	112.3870	37.865	8	112.3870	37.865	8	112.3870	37.865	8	112.5223	33.478	25	112.5223	33.478	25
610	643	727	0:SP3_SP2_SP2	B	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:B-4:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(CN)	C[6a](BC[5a]C[6a]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C){1|S<2>,2|C<3>}	114.2020	6.992	2	114.2020	48.886	2	114.2020	48.886	2	113.8687	33.062	12	112.5223	33.478	25	112.5223	33.478	25
610	643	727	0:SP3_SP2_SP2	B	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:B-4:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<2>,1|C<3>,1|S<2>}	113.3593	7.136	4	113.8020	34.948	10	113.8020	34.948	10	113.8687	33.062	12	112.5223	33.478	25	112.5223	33.478	25
610	643	727	0:SP3_SP2_SP2	B	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:B-4:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	114.7495	6.160	2	113.8020	34.948	10	113.8020	34.948	10	113.8687	33.062	12	112.5223	33.478	25	112.5223	33.478	25
610	643	727	0:SP3_SP2_SP2	B	C[6a]	C[5a]	3:3:3:2:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:B-4:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|S<2>,2|C<3>}	113.7710	6.357	4	113.8020	34.948	10	113.8020	34.948	10	113.8687	33.062	12	112.5223	33.478	25	112.5223	33.478	25
610	643	727	0:SP3_SP2_SP2	B	C[6a]	C[5a]	3:3:3:3:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-4:	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](BC[5a]C[6a]2)(C[6a]C[6a]F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3)	B(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](BC[5a]C[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3){2|C<3>,2|C<4>,2|H<1>}	110.6053	6.716	3	110.6053	45.108	3	110.6053	45.108	3	110.6053	45.108	3	112.5223	33.478	25	112.5223	33.478	25
610	643	727	0:SP3_SP2_SP2	B	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[5a]-3:S[5a]-2:	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2	C[5a](BC[6a]2N[6])(C[5a]C[5a]H)(S[5a]C[5a])	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5a](BC[6a]2N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	107.8610	2.851	2	107.8610	8.129	2	107.8610	8.129	2	107.8610	8.129	2	112.5223	33.478	25	112.5223	33.478	25
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	N[6]-3:N[6]-3:B-4:	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	C[6a](C[6a]C[6a]F)2(BC[6]Br2)	C[6](N[6]C[6a]C[6])2(BC[6a]Br2)	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	C[6a](C[6a]C[6a]F)2(BC[6]Br2){1|C<3>,2|F<1>}	C[6](N[6]C[6a]C[6])2(BC[6a]Br2){1|C<4>,2|O<1>,4|C<3>}	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:B-4:	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2	C[6](N[6]C[5,6]C)2(BC[6a]2H)	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6](N[6]C[5,6]C)2(BC[6a]2H){1|H<1>,4|C<4>}	111.8515	1.876	2	111.8515	3.519	2	111.8515	3.519	2	111.8515	3.519	2	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C)	B(C[6a]C[6a]2)2(C[6]C[6]2)(CC)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C){1|C<3>,1|H<1>,2|C<4>}	110.3200	0.049	2	110.3200	0.002	2	110.3200	0.002	2	111.0860	13.479	4	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O)	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	111.8520	6.172	2	111.8520	38.089	2	111.8520	38.089	2	111.0860	13.479	4	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]3)	C[6](BC[6a]C[6]2)(N[6]C[6]Fe)(C[6]C[6]H)	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]3){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	112.9059	4.350	18	112.9059	18.921	18	112.1176	17.128	39	113.0713	14.333	64	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]3)	C[6](BC[6a]C[6]2)(N[6]C[6]Mg)(C[6]C[6]H)	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]3){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Mg)(C[6]C[6]H){1|C<3>,2|H<1>}	111.0930	3.825	12	111.0930	14.630	12	112.1176	17.128	39	113.0713	14.333	64	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]3)	C[6](BC[6a]C[6]2)(N[6]C[6]Ru)(C[6]C[6]H)	B(C[6]C[6]N[6])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]3){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|H<1>}	111.9072	4.244	9	111.9072	18.011	9	112.1176	17.128	39	113.0713	14.333	64	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])2(C[6a]C[6a]2)(OPtC)	C[6a](C[6a]C[6a]H)2(BC[6]2O)	C[6](BC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H)	B(C[6]C[6]N[6])2(C[6a]C[6a]2)(OPtC)	C[6a](C[6a]C[6a]H)2(BC[6]2O){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	115.4423	2.074	4	115.4423	4.300	4	115.4423	4.300	4	113.0713	14.333	64	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6]-3:N[6]-3:	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2)	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2){1|C<3>,2|H<1>}	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	110.6365	0.361	2	110.6365	0.131	2	110.6365	0.131	2	113.0713	14.333	64	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2)	C[6](BC[6a]N[5]2)(N[6]C[6]Co)(C[6]C[6]H)	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2){1|C<3>,2|H<1>}	C[6](BC[6a]N[5]2)(N[6]C[6]Co)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	114.3930	0.157	2	114.3930	0.025	2	114.7861	6.299	19	113.0713	14.333	64	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2)	C[6](BC[6a]N[5]2)(N[6]C[6]Fe)(C[6]C[6]H)	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2){1|C<3>,2|H<1>}	C[6](BC[6a]N[5]2)(N[6]C[6]Fe)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	114.8655	2.833	15	114.8655	8.027	15	114.7861	6.299	19	113.0713	14.333	64	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	3:3:4:	4:3:3:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2)	C[6](BC[6a]N[5]2)(N[6]C[6]Sc)(C[6]C[6]H)	B(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]N[5]2){1|C<3>,2|H<1>}	C[6](BC[6a]N[5]2)(N[6]C[6]Sc)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	114.5835	0.699	2	114.5835	0.489	2	114.7861	6.299	19	113.0713	14.333	64	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:2:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	B-4:C[6a]-3:N[6a]-2:	C[6]-3:N[6]-3:B-4:	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	109.1035	2.545	10	109.1035	6.476	10	109.1035	6.476	10	109.1035	6.476	10	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-2:B-4:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|C<4>}	109.3963	4.757	3	109.7590	10.229	6	109.7590	10.229	6	109.7590	10.229	6	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-2:B-4:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|H<1>}	110.1217	1.597	3	109.7590	10.229	6	109.7590	10.229	6	109.7590	10.229	6	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:B-4:	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	109.1554	1.468	5	109.1554	2.156	5	109.1554	2.156	5	109.3706	17.526	35	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	C[6](C[6]C[6]H)(C[6]O[6]C)(BC[6a]3)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6](C[6]C[6]H)(C[6]O[6]C)(BC[6a]3){1|C<3>,1|H<1>}	109.1160	6.576	3	109.1160	43.248	3	109.4065	20.241	30	109.3706	17.526	35	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(BC[6a]3){1|H<1>,3|C<3>}	109.7118	4.668	6	109.7118	21.793	6	109.4065	20.241	30	109.3706	17.526	35	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>}	109.7096	3.514	12	109.3608	19.533	21	109.4065	20.241	30	109.3706	17.526	35	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,3|H<1>}	109.3517	3.837	3	109.3608	19.533	21	109.4065	20.241	30	109.3706	17.526	35	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|Sc<13>,1|C<4>,2|H<1>}	108.5987	7.578	3	109.3608	19.533	21	109.4065	20.241	30	109.3706	17.526	35	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|Ti<12>,1|C<4>,2|H<1>}	108.7367	7.287	3	109.3608	19.533	21	109.4065	20.241	30	109.3706	17.526	35	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	C[6](BC[6a]2C[6])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](BC[6a]2C[6])(C[6]C[6]H)2{1|C<2>}	109.6150	1.799	2	108.9015	2.078	4	108.9015	2.078	4	108.9015	2.078	4	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	C[6](BC[6a]2C[6])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](BC[6a]2C[6])(C[6]C[6]H)2{1|C<3>,1|H<1>}	108.1880	0.980	2	108.9015	2.078	4	108.9015	2.078	4	108.9015	2.078	4	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-4:C[6]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	C[6](BC[6a]2C[6])(C[6]C[6]DyH)(C[6]C[6]H)	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](BC[6a]2C[6])(C[6]C[6]DyH)(C[6]C[6]H){1|C<3>,2|H<1>}	109.0511	5.452	8	109.0511	29.728	8	109.0386	28.361	16	109.0386	28.361	16	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-4:C[6]-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2	C[6](BC[6a]2C[6])(C[6]C[6]TbH)(C[6]C[6]H)	B(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](BC[6a]C[6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6](BC[6a]2C[6])(C[6]C[6]TbH)(C[6]C[6]H){1|C<3>,2|H<1>}	109.0261	5.572	8	109.0261	31.046	8	109.0386	28.361	16	109.0386	28.361	16	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:3:3:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:B-4:	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]HH)2(BC[6a]3)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)2(BC[6a]3){3|C<4>}	109.2400	4.108	3	109.2400	16.872	3	109.2400	16.872	3	109.2400	16.872	3	111.0958	18.287	147	111.0958	18.287	147
610	643	762	0:SP3_SP2_SP2	B	C[6a]	C[6]	3:3:4:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[6]-3:C[6]-3:	B(C[6]C[6]N[6])2(C[6]C[6]2Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]3)	C[6](BC[6a]C[6]2)(N[6]C[6]Pt)(C[6]C[6]H)	B(C[6]C[6]N[6])2(C[6]C[6]2Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6]3){1|C<3>,2|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	111.4255	0.166	2	111.4255	0.028	2	111.4255	0.028	2	111.4255	0.028	2	111.0958	18.287	147	111.0958	18.287	147
610	643	770	0:SP3_SP2_SP2	B	C[6a]	B	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:B-3:P-4:Br-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:Br-1:	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	C[6a](C[6a]C[6a]C)2(BBrBP)	B(C[6a]C[6a]2)(BC[6a]BrP)(Br)	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	C[6a](C[6a]C[6a]C)2(BBrBP){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(BC[6a]BrP)(Br)	122.0810	0.000	1	122.0810	0.000	1	122.0810	0.000	1	121.4510	0.327	3	121.4510	0.327	3	121.4510	0.327	3
610	643	770	0:SP3_SP2_SP2	B	C[6a]	B	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:B-3:P-4:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:Cl-1:	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]C)2(BClBP)	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]C)2(BClBP){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	121.1360	0.240	2	121.1360	0.058	2	121.1360	0.058	2	121.4510	0.327	3	121.4510	0.327	3	121.4510	0.327	3
610	643	778	0:SP3_SP2_SPD5	B	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:3:	4:3:3:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:B-4:	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(BC[6a]2C)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(BC[6a]2C){1|B<6>,1|P<4>,5|H<1>}	110.8023	3.630	4	110.8023	13.180	4	110.8023	13.180	4	110.8023	13.180	4	110.8023	13.180	4	110.8023	13.180	4
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]F)2(BCl3)	Cl(BC[6a]Cl2)	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]F)2(BCl3){1|C<3>,2|F<1>}	Cl(BC[6a]Cl2)	110.9917	4.092	3	110.9917	16.745	3	111.4257	16.144	6	111.2493	13.671	7	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl3)	Cl(BC[6a]Cl2)	B(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl3){1|C<3>,2|C<4>,3|H<1>}	Cl(BC[6a]Cl2)	111.8597	4.801	3	111.8597	23.050	3	111.4257	16.144	6	111.2493	13.671	7	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(Cl)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H)	Cl(BC[6a]ClH)	B(C[6a]C[6a]2)(Cl)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H){1|C<3>,2|C<4>,3|H<1>}	Cl(BC[6a]ClH)	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	111.2493	13.671	7	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]C)2(BCl2C)	Cl(BC[6a]ClC)	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]C)2(BCl2C){1|C<3>,2|C<4>}	Cl(BC[6a]ClC)	111.3735	4.463	2	112.2250	38.590	4	112.2250	38.590	4	109.2503	22.251	28	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]C)2(BCl2C)	Cl(BC[6a]ClC)	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]C)2(BCl2C){1|C<3>,2|H<1>}	Cl(BC[6a]ClC)	113.0765	9.641	2	112.2250	38.590	4	112.2250	38.590	4	109.2503	22.251	28	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BC[5]Cl2)	Cl(BC[6a]C[5]Cl)	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BC[5]Cl2){1|C<3>,2|H<1>}	Cl(BC[6a]C[5]Cl)	109.4582	2.900	4	109.4582	8.412	4	109.4582	8.412	4	109.2503	22.251	28	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2)	Cl(BC[6a]2Cl)	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]F)2(BC[6a]Cl2){1|C<3>,2|F<1>}	Cl(BC[6a]2Cl)	108.4384	4.381	14	108.4384	19.191	14	108.6141	21.843	16	109.2503	22.251	28	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2)	Cl(BC[6a]2Cl)	B(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2){1|C<3>,2|C<4>,3|H<1>}	Cl(BC[6a]2Cl)	109.8435	8.643	2	109.8435	74.701	2	108.6141	21.843	16	109.2503	22.251	28	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]ClH)	Cl(BC[6a]2H)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]ClH){1|C<3>,2|F<1>}	Cl(BC[6a]2H)	105.3530	0.000	1	105.3530	0.000	1	108.6128	29.483	4	109.2503	22.251	28	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	Cl(BC[6a]2H)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,2|H<1>}	Cl(BC[6a]2H)	105.6040	0.000	1	109.6993	37.141	3	108.6128	29.483	4	109.2503	22.251	28	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	Cl(BC[6a]2H)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,3|H<1>}	Cl(BC[6a]2H)	111.7470	7.009	2	109.6993	37.141	3	108.6128	29.483	4	109.2503	22.251	28	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]2Cl)	Cl(BC[6a]3)	B(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]2Cl){1|C<3>,2|F<1>}	Cl(BC[6a]3)	106.9287	4.221	15	106.9287	17.818	15	106.9287	17.818	15	107.7576	15.079	25	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]ClN)	Cl(BC[6a]2N)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]ClN){1|C<3>,2|F<1>}	Cl(BC[6a]2N)	109.9392	3.685	6	109.9392	13.577	6	109.9392	13.577	6	107.7576	15.079	25	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	Cl(BC[6a]N[6]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	Cl(BC[6a]N[6]C)	106.5580	0.000	1	106.5580	0.000	1	107.5935	1.867	4	107.7576	15.079	25	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	Cl(BC[6a]N[6]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	Cl(BC[6a]N[6]C)	107.9387	1.444	3	107.9387	2.085	3	107.5935	1.867	4	107.7576	15.079	25	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:3:1:	4:3:3:	4:	C[3]-3:C[6a]-3:C[6a]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2	Cl(BC[6a]2C[3])	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	Cl(BC[6a]2C[3])	107.3740	2.765	2	107.3740	7.644	2	107.3740	7.644	2	108.4486	3.662	16	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[3]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2	Cl(BC[6a]2C[3])	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	Cl(BC[6a]2C[3])	109.3525	0.625	4	109.3525	0.390	4	109.3525	0.390	4	108.4486	3.662	16	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2	Cl(BC[6a]2N[6])	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	Cl(BC[6a]2N[6])	107.5258	1.516	8	107.5258	2.299	8	107.5258	2.299	8	108.4486	3.662	16	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:O[5]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2	Cl(BC[6a]2O[5])	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	Cl(BC[6a]2O[5])	111.4065	0.351	2	111.4065	0.124	2	111.4065	0.124	2	108.4486	3.662	16	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:4:1:	3:3:4:	4:	C[6a]-3:B-3:P-4:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]C)2(BClBP)	Cl(BC[6a]BP)	B(C[6a]C[6a]2)(BC[6a]Cl)(PC3)(Cl)	C[6a](C[6a]C[6a]C)2(BClBP){1|C<3>,2|H<1>}	Cl(BC[6a]BP)	114.8275	0.909	2	114.8275	0.826	2	114.8275	0.826	2	111.8617	26.801	3	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	Cl(BC[6a]N[6]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	Cl(BC[6a]N[6]C)	105.9300	0.000	1	105.9300	0.000	1	105.9300	0.000	1	111.8617	26.801	3	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(C[5]C[5]2W)(Cl)	C[6a](BC[6a]C[5]Cl)(C[6a]C[6a]F)2	Cl(BC[6a]2C[5])	B(C[6a]C[6a]2)2(C[5]C[5]2W)(Cl)	C[6a](BC[6a]C[5]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	Cl(BC[6a]2C[5])	108.0195	6.752	2	108.0195	45.592	2	108.0195	45.592	2	108.0195	45.592	2	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	4:3:1:1:	3:3:4:	4:	P-4:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BCl2P)	Cl(BC[6a]ClP)	B(PC[6a]C[6]2)(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BCl2P){1|C<3>,2|H<1>}	Cl(BC[6a]ClP)	111.6785	1.805	2	111.6785	3.259	2	111.6785	3.259	2	111.6785	3.259	2	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	4:3:3:1:	4:3:3:	4:	C[3,3,5]-4:C[6a]-3:C[6a]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[3,3,5]C[3,3,5]2Nb[10x3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[3,3,5]C[6a]Cl)(C[6a]C[6a]F)2	Cl(BC[3,3,5]C[6a]2)	B(C[3,3,5]C[3,3,5]2Nb[10x3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[3,3,5]C[6a]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	Cl(BC[3,3,5]C[6a]2)	108.7710	7.805	2	108.7710	60.919	2	108.7710	60.919	2	108.7665	20.872	4	108.9301	16.116	87	108.9301	16.116	87
610	643	790	0:SP3_SP-NON_SP2	B	C[6a]	Cl	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P)	Cl(BC[6a]2C[6])	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[6]Cl)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	Cl(BC[6a]2C[6])	108.7620	1.302	2	108.7620	1.696	2	108.7620	1.696	2	108.7665	20.872	4	108.9301	16.116	87	108.9301	16.116	87
610	643	813	0:SP3_SP2_SP2	B	C[6a]	N[5a]	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a,6a]-3:C[6a]-3:B-4:	C[5a,6]-3:B-4:C[5a]-3:	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BN[5a]2H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BN[5a]2H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	112.1145	2.630	2	112.1145	6.915	2	112.1145	6.915	2	112.8042	5.415	4	111.6853	6.889	23	111.6853	6.889	23
610	643	813	0:SP3_SP2_SP2	B	C[6a]	N[5a]	3:3:3:1:	3:3:4:	3:4:3:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[5a,6]-3:B-4:C[5a]-3:	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(BN[5a]2H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(BN[5a]2H){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	113.4940	2.725	2	113.4940	7.427	2	113.4940	7.427	2	112.8042	5.415	4	111.6853	6.889	23	111.6853	6.889	23
610	643	813	0:SP3_SP2_SP2	B	C[6a]	N[5a]	3:3:3:2:	3:3:4:	3:4:3:	N[5a]-3:N[5a]-3:C[6a]-3:H-2:	C[6a]-3:C[6a]-3:B-4:	C[5a,6]-3:B-4:C[5a]-3:	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	C[6a](C[6a]C[6a]H)2(BN[5a]2H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	C[6a](C[6a]C[6a]H)2(BN[5a]2H){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Rh<7>,1|H<1>,2|C<3>}	113.8020	0.836	2	113.8020	0.699	2	113.8020	0.699	2	113.8020	0.699	2	111.6853	6.889	23	111.6853	6.889	23
610	643	813	0:SP3_SP2_SP2	B	C[6a]	N[5a]	3:3:3:2:	4:3:3:	2:2:4:	C[6a]-3:C[6a]-3:N[5a]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	N[5a]-2:N[5a]-2:B-4:	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2	N[5a](N[5a]C[5a])2(BC[6a]2O)	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[5a](N[5a]C[5a])2(BC[6a]2O){2|P<4>}	111.1015	1.115	4	111.1015	1.244	4	111.1015	1.244	4	111.1015	1.244	4	111.6853	6.889	23	111.6853	6.889	23
610	643	813	0:SP3_SP2_SP2	B	C[6a]	N[5a]	3:3:3:3:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C[5a]-3:N[5a]-2:	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BN[5a]3)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BN[5a]3){1|C<3>,2|H<1>}	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	110.4605	1.373	6	110.4605	1.884	6	110.4605	1.884	6	110.4605	1.884	6	111.6853	6.889	23	111.6853	6.889	23
610	643	813	0:SP3_SP2_SP2	B	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-4:	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5a])(C[6a]C[6a]F)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[5a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3){2|C<3>,2|H<1>}	109.3733	5.394	3	109.3733	29.097	3	109.3733	29.097	3	111.4474	22.808	5	111.6853	6.889	23	111.6853	6.889	23
610	643	813	0:SP3_SP2_SP2	B	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:3:4:	N[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B-4:	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6])	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6]){2|H<1>,4|C<3>}	114.5585	0.880	2	114.5585	0.775	2	114.5585	0.775	2	111.4474	22.808	5	111.6853	6.889	23	111.6853	6.889	23
610	643	813	0:SP3_SP2_SP2	B	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[5a]-3:N[5a]-2:	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](BN[5a]2N[5])(C[6a]C[6a]H)2	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](BN[5a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	112.7670	1.809	2	112.7670	3.272	2	112.7670	3.272	2	112.7670	3.272	2	111.6853	6.889	23	111.6853	6.889	23
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:1:1:	3:3:4:	3:4:4:	C[5]-3:C[6a]-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:C[5]-4:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]F)2(BC[5]Br2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]F)2(BC[5]Br2){1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2){2|C<3>,2|C<4>,2|H<1>}	113.4230	0.000	1	113.4230	0.000	1	113.4230	0.000	1	113.4230	0.000	1	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:N[5]-3:	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BC[5]Cl2)	C[5](BC[6a]Cl2)(N[5]C[5]C)2	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BC[5]Cl2){1|C<3>,2|H<1>}	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	117.2420	0.000	1	116.4890	1.134	2	116.4890	1.134	2	116.4890	1.134	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:N[5]-3:	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BC[5]Cl2)	C[5](BC[6a]Cl2)(N[5]C[5]C)2	B(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]H)2(BC[5]Cl2){1|C<3>,2|H<1>}	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|H<1>}	115.7360	0.000	1	116.4890	1.134	2	116.4890	1.134	2	116.4890	1.134	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-2:H-1:	C[6a,6a]-3:C[6,6a]-3:B-4:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH)	C[5](N[5]C[5]C)2(BC[6a]CH)	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	114.5240	8.620	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(BC[5]CH)	C[5](N[5]C[5]C)2(BC[6a]CH)	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(BC[5]CH){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	114.5240	8.620	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:B-4:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F){1|F<1>,4|C<3>}	110.9065	2.265	2	110.9065	5.130	2	110.9065	5.130	2	112.5983	4.365	6	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	C[5](N[5]C[5]C)2(BC[6a]2H)	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[5]C)2(BC[6a]2H){2|H<1>}	113.4442	1.644	4	113.4442	2.703	4	113.4442	2.703	4	112.5983	4.365	6	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:1:	4:3:3:	4:2:2:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:O[5]-2:O[5]-2:	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5])	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	109.7225	0.653	2	109.7225	0.426	2	109.7225	0.426	2	109.7225	0.426	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:2:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:N-2:	B-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:B-4:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N){1|C<4>,2|C<3>,2|H<1>}	113.6440	1.243	4	113.6440	1.546	4	113.6440	1.546	4	111.8324	4.875	8	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:C-2:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2	C[5](N[5]C[5]C)2(BC[6a]2C)	B(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(BC[6a]2C){2|H<1>}	110.0208	1.038	4	110.0208	1.077	4	110.0208	1.077	4	111.8324	4.875	8	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]C)2(BC[5]CC)	C[5](N[5]C[5]C)2(BC[6a]CC)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]C)2(BC[5]CC){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(BC[6a]CC){2|H<1>}	109.8810	0.000	1	109.8810	0.000	1	107.2615	13.724	2	107.2615	13.724	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(BC[5]CC)	C[5](N[5]C[5]C)2(BC[6a]CC)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(BC[5]CC){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(BC[6a]CC){2|H<1>}	104.6420	0.000	1	104.6420	0.000	1	107.2615	13.724	2	107.2615	13.724	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:2:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){1|H<1>,3|C<4>}	113.0663	3.324	3	113.6763	8.746	10	113.6763	8.746	10	112.7219	12.397	14	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:2:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	113.9377	3.028	7	113.6763	8.746	10	113.6763	8.746	10	112.7219	12.397	14	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:2:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-2:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5]){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	110.3360	4.106	4	110.3360	16.857	4	110.3360	16.857	4	112.7219	12.397	14	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5]){2|C<4>,2|H<1>}	114.7651	3.305	21	114.7651	10.920	21	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5]){2|C<4>,2|H<1>}	113.1433	3.936	14	113.1433	15.490	14	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5]){1|C<4>,3|H<1>}	116.1100	2.747	3	116.0555	5.305	6	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5]){1|H<1>,3|C<4>}	116.0010	2.389	3	116.0555	5.305	6	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Ni)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Ni)(O[5]C[5]){2|C<4>,2|H<1>}	115.5463	3.289	3	115.5463	10.820	3	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5]){1|C<4>,3|H<1>}	115.4233	3.097	3	115.3183	6.671	6	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5]){1|H<1>,3|C<4>}	115.2133	2.655	3	115.3183	6.671	6	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	112.6860	1.962	4	112.6860	3.851	4	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5]){1|H<1>,3|C<4>}	114.4357	3.621	6	114.4098	10.000	38	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[5]3){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5]){2|C<4>,2|H<1>}	114.4049	3.134	32	114.4098	10.000	38	114.4268	10.383	92	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(BC[5]2C)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(BC[5]2C){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	110.8375	2.302	2	110.8375	5.298	2	110.8375	5.298	2	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5]){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5]){2|C<4>,2|H<1>}	115.6030	2.862	6	115.6030	8.191	6	113.9454	14.343	18	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5]Li)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5]){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5]Li)(O[5]C[5]){2|C<4>,2|H<1>}	108.7630	1.628	4	108.7630	2.650	4	113.9454	14.343	18	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5]){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	115.0080	3.737	4	115.0080	13.964	4	113.9454	14.343	18	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5])	C[5](BC[6a]C[5]N[5])(N[5]C[5]Zn)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[5]){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]N[5])(N[5]C[5]Zn)(O[5]C[5]){2|C<4>,2|H<1>}	115.5787	2.155	4	115.5787	4.644	4	113.9454	14.343	18	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[6])	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[6]){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	112.1305	2.020	2	112.1305	4.081	2	112.1305	4.081	2	114.2476	10.928	114	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:B-4:C[6a]-3:	C[5]-3:N[5]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	2:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	B-4:C[6a]-3:C[6a]-3:	S[5]-2:S[5]-2:B-4:	B(C[6a]C[6a]2)3(C[5]S[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](S[5]C[5,6a])2(BC[6a]3)	B(C[6a]C[6a]2)3(C[5]S[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](S[5]C[5,6a])2(BC[6a]3){2|C<3>}	107.8933	4.790	6	107.8933	22.942	6	107.8933	22.942	6	107.8933	22.942	6	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:B-4:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]3)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]3){2|C<3>,2|H<1>,3|C<4>}	110.1457	5.965	3	110.1457	35.584	3	110.1457	35.584	3	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	110.3540	3.984	3	110.3540	15.872	3	110.3540	15.872	3	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){1|Pd<6>,1|C<4>,2|C<3>}	109.7573	5.995	3	110.1917	37.285	6	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){2|Ir<7>,1|C<3>,2|C<4>}	110.6260	7.531	3	110.1917	37.285	6	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|As<3>,3|C<3>}	109.5944	8.650	3	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|H<1>,3|C<3>}	109.4330	6.106	3	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,1|C<4>,2|C<3>}	110.9400	7.131	3	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,3|C<3>}	110.6300	7.121	3	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<9>,3|C<3>}	110.0667	8.037	3	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Li<4>,3|C<3>}	110.2427	2.933	3	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|P<3>,3|C<3>}	109.5261	8.720	3	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|S<2>,3|C<3>}	109.5041	6.531	9	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Se<1>,3|C<3>}	109.4293	6.946	3	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|V<4>,3|C<3>}	109.8113	6.199	3	109.8488	35.685	36	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(BC[6a]3){2|C<3>}	108.2218	2.394	6	108.2218	5.729	6	109.6883	31.477	48	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	110.1990	0.321	2	110.1990	0.103	2	110.1990	0.103	2	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[5]C)2(BC[6a]3)	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[5]C)2(BC[6a]3){2|C<4>}	109.9123	6.517	3	109.9123	42.468	3	110.0108	12.584	15	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[5]P)2(BC[6a]3)	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[5]P)2(BC[6a]3){2|H<1>}	110.7030	4.490	3	110.7030	20.163	3	110.0108	12.584	15	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](N[5]C[6a]C[5])2(BC[6a]3)	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])2(BC[6a]3){2|H<1>,4|C<3>}	110.8417	2.733	3	110.8417	7.467	3	110.0108	12.584	15	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	B-4:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:B-4:	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3)	B(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](BC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3){2|C<3>,2|H<1>}	109.2985	2.425	6	109.2985	5.878	6	110.0108	12.584	15	109.8183	25.163	71	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[5]-3:B-4:C[5]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si)	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si){1|Si<4>,1|N<3>,3|C<3>}	117.0495	0.542	2	117.0495	0.294	2	117.0495	0.294	2	117.0495	0.294	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:3:	4:3:3:	4:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:B-4:	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]3)	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]3){1|C<4>,6|C<3>}	110.2873	5.033	3	110.2873	25.329	3	110.2873	25.329	3	110.2873	25.329	3	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:4:	3:3:4:	3:4:3:	C[6a]-3:C[5]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:C[5]-3:	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]F)2(BC[5]N[6]C)	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si)	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]F)2(BC[5]N[6]C){1|C<3>,2|F<1>}	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si){1|Si<4>,1|N<3>,2|C<3>}	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:4:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	B-4:N[5]-3:O[5]-2:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	C[6a](C[6a]C[6a]H)2(BC[5]2C)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	C[6a](C[6a]C[6a]H)2(BC[5]2C){1|C<3>,2|H<1>}	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	107.8945	2.245	2	107.8945	5.040	2	107.8945	5.040	2	107.8945	5.040	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:3:4:	4:3:3:	4:3:4:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:B-4:	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]2C)	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]2C){7|C<3>}	106.8760	6.785	2	106.8760	46.042	2	106.8760	46.042	2	106.8760	46.042	2	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	3:3:4:1:	3:3:4:	3:4:4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:C[5]-4:B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BC[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BC[5]CH){1|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	112.2975	19.679	242	112.2975	19.679	242
610	643	818	0:SP3_SP2_SP2	B	C[6a]	C[5]	4:3:3:1:	3:3:4:	3:3:4:	B-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	N[5]-3:N[5]-3:B-4:	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(BC[5]BH)	C[5](N[5]C[5]C)2(BC[6a]BH)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(BC[5]BH){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(BC[6a]BH){2|C<4>}	109.0860	1.591	2	109.0860	2.531	2	109.0860	2.531	2	109.0860	2.531	2	112.2975	19.679	242	112.2975	19.679	242
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BF3)	F(BC[6a]FF)	B(C[6a]C[6a,6a]C[6a])(F)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BF3){1|H<1>,1|N<4>,3|C<3>}	F(BC[6a]FF)	111.7803	1.170	3	111.7803	1.368	3	111.7803	1.368	3	111.2220	2.187	72	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	F(BC[6a]FF)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|C<3>,2|H<1>}	F(BC[6a]FF)	111.3592	2.222	12	111.2298	3.388	18	111.1978	2.229	69	111.2220	2.187	72	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	F(BC[6a]FF)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|H<1>,2|C<3>}	F(BC[6a]FF)	110.9708	0.735	6	111.2298	3.388	18	111.1978	2.229	69	111.2220	2.187	72	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	F(BC[6a]FF)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	F(BC[6a]FF)	111.1452	1.529	33	111.1452	2.337	33	111.1978	2.229	69	111.2220	2.187	72	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(BF3)	F(BC[6a]FF)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(BF3){1|C<3>,2|H<1>}	F(BC[6a]FF)	111.0103	1.163	3	111.0103	1.351	3	111.1978	2.229	69	111.2220	2.187	72	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(BF3)	F(BC[6a]FF)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(BF3){1|C<3>,2|H<1>}	F(BC[6a]FF)	111.7587	0.381	3	111.6857	0.096	6	111.1978	2.229	69	111.2220	2.187	72	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(BF3)	F(BC[6a]FF)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]H)2(BF3){1|H<1>,2|C<3>}	F(BC[6a]FF)	111.6127	0.279	3	111.6857	0.096	6	111.1978	2.229	69	111.2220	2.187	72	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3)	F(BC[6a]FF)	B(C[6a]C[6a]2)(F)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3){1|C<3>,2|C<4>,3|H<1>}	F(BC[6a]FF)	111.0634	1.332	9	111.0634	1.773	9	111.1978	2.229	69	111.2220	2.187	72	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:2:1:1:	3:3:4:	4:	C[6a]-3:F-2:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(FNi)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	F(BC[6a]FF)	B(C[6a]C[6a]2)(FNi)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	F(BC[6a]FF)	113.3135	0.670	4	113.3135	0.449	4	112.9600	0.374	8	112.3197	2.115	10	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:2:1:1:	3:3:4:	4:	C[6a]-3:F-2:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(FPd)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3)	F(BC[6a]FF)	B(C[6a]C[6a]2)(FPd)(F)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BF3){1|C<3>,2|H<1>}	F(BC[6a]FF)	112.6065	0.301	4	112.6065	0.091	4	112.9600	0.374	8	112.3197	2.115	10	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(OC)(F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO)	F(BC[6a]FO)	B(C[6a]C[6a]2)(OC)(F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO){1|C<3>,2|C<4>,3|H<1>}	F(BC[6a]FO)	109.7585	0.134	2	109.7585	0.018	2	109.7585	0.018	2	112.3197	2.115	10	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CCP)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	F(BC[6a]2C)	B(C[6a]C[6a]2)2(CCP)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	F(BC[6a]2C)	107.4370	1.861	2	107.4370	3.464	2	106.9999	2.533	8	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	F(BC[6a]2C)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	F(BC[6a]2C)	106.8542	1.659	6	106.8542	2.751	6	106.9999	2.533	8	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F)	F(BC[6a]3)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F){1|C<4>,1|H<1>,3|C<3>}	F(BC[6a]3)	106.9470	0.000	1	104.8657	2.713	4	104.8657	2.713	4	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F)	F(BC[6a]3)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2F){1|H<1>,1|S<3>,3|C<3>}	F(BC[6a]3)	104.1720	1.087	3	104.8657	2.713	4	104.8657	2.713	4	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	F(BC[6a]3)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	F(BC[6a]3)	104.7439	1.367	8	104.7439	1.868	8	107.0759	6.290	98	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F)	F(BC[6a]3)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2F){2|F<1>,3|C<3>}	F(BC[6a]3)	107.3873	0.821	3	107.3873	0.674	3	107.0759	6.290	98	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F)	F(BC[6a]3)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]C)2(BC[6a]2F){1|C<3>,2|H<1>}	F(BC[6a]3)	105.4486	4.165	8	105.4486	17.349	8	107.0759	6.290	98	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F)	F(BC[6a]3)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]F)2(BC[6a]2F){1|C<3>,2|F<1>}	F(BC[6a]3)	107.6047	2.141	75	107.6047	4.586	75	107.0759	6.290	98	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F)	F(BC[6a]3)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]2F){1|C<3>,2|H<1>}	F(BC[6a]3)	108.2490	0.000	1	108.2490	0.000	1	107.0759	6.290	98	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)2(BC[6a]2F)	F(BC[6a]3)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)2(BC[6a]2F){1|C<3>,2|H<1>}	F(BC[6a]3)	105.0725	1.572	2	105.0725	2.471	2	107.0759	6.290	98	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[6a]2F)	F(BC[6a]3)	B(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[6a]2F){1|C<3>,2|H<1>}	F(BC[6a]3)	100.9840	0.000	1	100.9840	0.000	1	107.0759	6.290	98	106.9900	6.007	110	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	F(BC[6a]2C[5])	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	F(BC[6a]2C[5])	105.6405	0.969	2	105.6405	0.940	2	105.6405	0.940	2	106.6853	15.644	12	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2	F(BC[5a]C[6a]2)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(F)	C[6a](BC[5a]C[6a]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	F(BC[5a]C[6a]2)	106.4617	4.796	8	106.4617	22.997	8	106.4617	22.997	8	106.6853	15.644	12	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F)	F(BC[6a]2N[6])	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|F<1>}	F(BC[6a]2N[6])	108.4470	0.000	1	108.4470	0.000	1	108.6245	0.063	2	106.6853	15.644	12	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]F)2	F(BC[6a]2N[6])	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	F(BC[6a]2N[6])	108.8020	0.000	1	108.8020	0.000	1	108.6245	0.063	2	106.6853	15.644	12	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2F)	F(BC[6a]C[6]2)	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2F){1|C<3>,2|F<1>}	F(BC[6a]C[6]2)	94.3767	0.000	1	94.3767	0.000	1	95.4246	2.196	2	95.4246	2.196	2	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2F)	F(BC[6a]C[6]2)	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2F){1|C<3>,2|H<1>}	F(BC[6a]C[6]2)	96.4726	0.000	1	96.4726	0.000	1	95.4246	2.196	2	95.4246	2.196	2	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	4:3:3:1:	3:3:4:	4:	B-4:C[6a]-3:N[6]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]C)2(BN[6]BF)	F(BC[6a]N[6]B)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]C)2(BN[6]BF){1|C<3>,2|H<1>}	F(BC[6a]N[6]B)	110.4060	0.069	2	110.4060	0.005	2	110.4060	0.005	2	110.4060	0.005	2	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2	F(BC[6a]2C[5])	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[5]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	F(BC[6a]2C[5])	108.8800	2.911	4	108.8800	8.477	4	108.8800	8.477	4	108.0503	8.082	6	108.5994	11.088	214	108.5994	11.088	214
610	643	830	0:SP3_SP-NON_SP2	B	C[6a]	F	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6]C[6]2Fe)(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[6]F)(C[6a]C[6a]C)2	F(BC[6a]2C[6])	B(C[6]C[6]2Fe)(C[6a]C[6a]2)2(F)	C[6a](BC[6a]C[6]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	F(BC[6a]2C[6])	106.3910	2.592	2	106.3910	6.720	2	106.3910	6.720	2	108.0503	8.082	6	108.5994	11.088	214	108.5994	11.088	214
610	643	849	0:SP3_SP2_SP3	B	C[6a]	P[6]	4:3:3:1:	4:3:3:	3:4:4:4:	P[6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:B-4:	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H)	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	115.3885	0.161	2	115.3885	0.026	2	115.3885	0.026	2	115.3885	0.026	2	115.3885	0.026	2	115.3885	0.026	2
610	643	852	0:SP3_SP2_SP3	B	C[6a]	P[3]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P[3]-3:	B-4:C[6a]-3:C[6a]-3:	P[3,3]-3:P[3,3]-3:B-4:	B(C[6a]C[6a]2)3(P[3]P[3,3]2)	C[6a](BC[6a]2P[3])(C[6a]C[6a]F)2	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3)	B(C[6a]C[6a]2)3(P[3]P[3,3]2)	C[6a](BC[6a]2P[3])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3){1|C<3>}	108.6530	2.342	3	108.6530	5.487	3	108.6530	5.487	3	108.6530	5.487	3	108.6530	5.487	3	108.6530	5.487	3
610	643	854	0:SP3_SP2_SP3	B	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-4:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:B-4:H-1:	B(C[6a]C[6a]2)3(N[6]C[6]2H)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6]CH)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(N[6]C[6]2H)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]CH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	109.8010	1.637	3	109.8010	2.680	3	108.4614	4.112	15	108.4614	4.112	15	108.9120	4.147	22	108.9120	4.147	22
610	643	854	0:SP3_SP2_SP3	B	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-4:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:B-4:H-1:	B(C[6a]C[6a]2)3(N[6]C[6]2H)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6]HH)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(N[6]C[6]2H)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]HH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	108.1265	2.033	12	108.1265	4.134	12	108.4614	4.112	15	108.4614	4.112	15	108.9120	4.147	22	108.9120	4.147	22
610	643	854	0:SP3_SP2_SP3	B	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:3:4:1:	N[6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B-4:H-1:	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H)	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H){1|C<4>,2|H<1>,4|C<3>}	110.3678	1.729	4	110.3678	2.991	4	110.3678	2.991	4	110.3678	2.991	4	108.9120	4.147	22	108.9120	4.147	22
610	643	854	0:SP3_SP2_SP3	B	C[6a]	N[6]	4:3:3:3:	4:3:3:	4:4:4:1:	N[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:B-4:H-1:	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H)	B(N[6]C[6,6]2H)(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H){5|C<4>,6|H<1>}	109.2243	2.090	3	109.2243	4.369	3	109.2243	4.369	3	109.2243	4.369	3	108.9120	4.147	22	108.9120	4.147	22
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	3:4:4:	N[6,6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[3x6]-4:B-4:	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	C[6a](BN[6,6]C[6a]2)(C[6a]C[6a]F)2	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3)	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	C[6a](BN[6,6]C[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3){1|H<1>,1|S<2>,5|C<3>}	108.4000	5.603	3	108.4000	31.391	3	108.4000	31.391	3	108.4000	31.391	3	108.4000	31.391	3	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BN[6]HH)	N[6](C[6]C[6]H)2(BC[6a]HH)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BN[6]HH){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	109.5270	0.000	1	109.5270	0.000	1	110.4370	0.625	3	110.4370	0.625	3	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(BN[6]HH)	N[6](C[6]C[6]H)2(BC[6a]HH)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(BN[6]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	110.8920	0.092	2	110.8920	0.008	2	110.4370	0.625	3	110.4370	0.625	3	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6a](C[6a]C[6a]F)2(BN[6]HO)	N[6](C[6]C[6]H)2(BC[6a]HO)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6a](C[6a]C[6a]F)2(BN[6]HO){1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]HO){1|C<3>,2|H<1>}	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:N-2:N-2:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	C[6a](C[6a]C[6a]F)2(BN[6]NN)	N[6](C[6]C[6]H)2(BC[6a]NN)	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	C[6a](C[6a]C[6a]F)2(BN[6]NN){1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]NN){1|C<3>,2|H<1>}	107.6420	0.000	1	107.6420	0.000	1	107.6420	0.000	1	107.6420	0.000	1	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	N[6](BC[6a]ClC)(C[6]C[6]H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	106.6350	0.000	1	106.6350	0.000	1	107.3890	1.219	4	107.3890	1.219	4	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	N[6](BC[6a]ClC)(C[6]C[6]H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	107.6403	1.204	3	107.6403	1.449	3	107.3890	1.219	4	107.3890	1.219	4	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F)	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|F<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F){2|H<1>,3|C<3>}	112.8730	0.000	1	112.8730	0.000	1	109.1275	28.058	2	108.4012	7.526	5	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]F)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F)	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6a](BC[6a]N[6]F)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F){2|H<1>,3|C<3>}	105.3820	0.000	1	105.3820	0.000	1	109.1275	28.058	2	108.4012	7.526	5	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[6]C[6]H)2(BC[6a]2H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2H){1|C<3>,2|H<1>}	107.9170	0.381	3	107.9170	0.145	3	107.9170	0.145	3	108.4012	7.526	5	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2	N[6](BC[6a]2Cl)(C[6]C[6]H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6a](BC[6a]N[6]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](BC[6a]2Cl)(C[6]C[6]H)2{1|C<3>,2|H<1>}	109.4299	0.819	8	109.4299	0.671	8	109.4299	0.671	8	109.4299	0.671	8	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]2O)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	107.2160	3.473	2	107.2160	12.064	2	106.6893	12.986	4	106.6893	12.986	4	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:2:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]2O)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	106.1625	5.078	2	106.1625	25.783	2	106.6893	12.986	4	106.6893	12.986	4	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(BN[6]CC)	N[6](C[6]C[6]H)2(BC[6a]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	108.0075	0.070	2	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(BN[6]CN)	N[6](C[6]C[6]H)2(BC[6a]CN)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(BN[6]CN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]CN){1|C<3>,2|H<1>}	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	108.0075	0.070	2	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6]-3:C[6]-3:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[6])	N[6](BC[6a]C[5]2)(C[6]C[6]H)2	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(BC[5]2N[6]){1|C<3>,2|H<1>}	N[6](BC[6a]C[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:B-4:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[6])(C[6a]C[6a]H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(BC[6a]2N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	105.9630	0.663	2	105.9630	0.440	2	105.9630	0.440	2	105.9630	0.440	2	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	104.7893	2.267	4	104.7893	5.141	4	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<2>,1|C<3>,1|H<1>}	107.9670	4.053	6	108.1843	17.042	12	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	108.4015	4.577	6	108.1843	17.042	12	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6]C)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]C)2(BC[6a]3){1|C<3>,2|H<1>}	109.6503	4.397	9	109.6503	19.333	9	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3){1|C<3>,2|H<1>}	108.5627	4.660	6	108.5627	21.718	6	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	107.2212	4.109	57	107.3345	18.364	75	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	107.6275	4.887	15	107.3345	18.364	75	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<4>,2|C<3>}	108.0230	6.147	3	107.3345	18.364	75	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3){1|N<2>,2|C<3>,2|H<1>}	108.6963	4.248	3	108.6963	18.044	3	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	107.2887	2.209	3	107.7133	11.996	6	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](BC[6a]2N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|N<2>,2|H<1>}	108.1380	4.957	3	107.7133	11.996	6	107.6353	17.623	115	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C){2|H<1>,3|C<3>}	109.0590	0.956	2	109.0590	0.914	2	106.7823	20.767	4	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	104.5055	6.376	2	104.5055	40.653	2	106.7823	20.767	4	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:P-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]2P)	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]2P){1|C<3>,2|H<1>}	105.4370	5.127	2	105.4370	26.281	2	105.4370	26.281	2	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:B-4:	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3)	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	108.2560	4.869	3	108.2560	23.705	3	108.3880	21.934	9	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:B-4:	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3)	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6a](BC[6a]2N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3){1|H<1>,1|N<2>,3|C<3>}	108.4540	5.059	6	108.4540	25.597	6	108.3880	21.934	9	107.6273	17.758	130	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[5a]C[6a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	105.7365	4.361	2	105.7365	19.016	2	105.7365	19.016	2	108.2339	19.548	8	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:B[5]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)2(B[5]O[5]2)(N[6]C[6]2)	C[6a](BC[6a]B[5]N[6])(C[6a]C[6a]C)2	N[6](BC[6a]2B[5])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(B[5]O[5]2)(N[6]C[6]2)	C[6a](BC[6a]B[5]N[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	N[6](BC[6a]2B[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	106.5695	8.196	2	106.5695	67.176	2	106.5695	67.176	2	108.2339	19.548	8	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	108.9875	2.642	2	108.9875	6.983	2	108.9875	6.983	2	108.2339	19.548	8	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2	N[6](BC[6a]2N[5a])(C[6]C[6]H)2	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]N[5a]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](BC[6a]2N[5a])(C[6]C[6]H)2{1|C<3>,2|H<1>}	111.6420	1.133	2	111.6420	1.283	2	111.6420	1.283	2	108.2339	19.548	8	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]F)2(BN[6]CC)	N[6](C[6]C[6]H)2(BC[6a]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	102.3590	0.000	1	102.3590	0.000	1	102.3590	0.000	1	102.3590	0.000	1	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:4:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]F)2(BC[5]N[6]C)	N[6](BC[6a]C[5]C)(C[6]C[6]H)2	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]F)2(BC[5]N[6]C){1|C<3>,2|F<1>}	N[6](BC[6a]C[5]C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	106.1975	4.176	8	106.1975	17.440	8	107.3380	17.053	16	107.3380	17.053	16	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	110.7200	1.607	4	110.7200	2.583	4	107.3380	17.053	16	107.3380	17.053	16	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C){1|C<3>,2|H<1>}	107.4030	1.879	2	107.4030	3.532	2	107.3380	17.053	16	107.3380	17.053	16	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	B-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	N[6](C[6]C[6]H)2(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	105.0711	7.482	2	105.0711	55.986	2	107.3380	17.053	16	107.3380	17.053	16	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BN[6]CH)	N[6](C[6]C[6]H)2(BC[6a]CH)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BN[6]CH){1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]CH){1|C<3>,2|H<1>}	107.8220	0.000	1	107.8220	0.000	1	107.8220	0.000	1	107.8220	0.000	1	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-4:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	N[6](BC[6a]ClC)(C[6]C[6]H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	105.1470	0.000	1	105.1470	0.000	1	105.1470	0.000	1	105.1470	0.000	1	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-4:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]F)2(BN[6]CC)	N[6](C[6]C[6]H)2(BC[6a]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	105.1195	1.105	2	105.1195	1.221	2	105.1195	1.221	2	105.1195	1.221	2	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	104.2815	3.064	2	104.2815	9.387	2	104.2815	9.387	2	104.2815	9.387	2	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)2	C[6a](C[6a]C[6a]F)2(BN[6]CC)	N[6](C[6]C[6]H)2(BC[6a]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)2	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	105.4070	0.000	1	105.4070	0.000	1	105.4070	0.000	1	105.4070	0.000	1	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	4:3:3:1:	3:3:4:	3:3:4:	B-4:C[6a]-3:N[6]-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:C[6]-3:B-4:	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]C)2(BN[6]BF)	N[6](C[6]C[6]H)2(BC[6a]BF)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	C[6a](C[6a]C[6a]C)2(BN[6]BF){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]BF){1|C<3>,2|H<1>}	102.8540	0.486	2	102.8540	0.237	2	102.8540	0.237	2	102.8540	0.237	2	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	109.3840	0.074	2	109.3840	0.005	2	110.3452	6.799	6	110.3452	6.799	6	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	110.8435	1.784	2	110.8435	3.183	2	110.3452	6.799	6	110.3452	6.799	6	107.6915	15.254	202	107.7018	15.344	205
610	643	856	0:SP3_SP2_SP2	B	C[6a]	N[6]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-3:C[6]-3:	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](BC[6a]C[5]N[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	110.8080	5.295	2	110.8080	28.035	2	110.3452	6.799	6	110.3452	6.799	6	107.6915	15.254	202	107.7018	15.344	205
610	643	863	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)	B(C[6a]C[6a]2)3(O)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)	108.3872	4.285	6	108.3872	18.359	6	108.3872	18.359	6	108.3872	18.359	6	108.3872	18.359	6	108.3872	18.359	6
610	643	871	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:H-1:	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O)	O(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2O){1|H<1>,2|C<3>}	O(BC[6a]3)(H)2	105.9140	1.029	6	105.9140	1.058	6	106.0718	9.002	27	106.0718	9.002	27	106.6820	7.100	52	106.6820	7.100	52
610	643	871	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:H-1:	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(OHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(H)2	106.1169	3.381	21	106.1169	11.429	21	106.0718	9.002	27	106.0718	9.002	27	106.6820	7.100	52	106.6820	7.100	52
610	643	871	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6,6a]-3:C[6a]-3:B-4:	B-4:C-4:H-1:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	O(BC[6a]3)(CH3)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	O(BC[6a]3)(CH3)(H)	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	107.5876	2.524	15	106.6820	7.100	52	106.6820	7.100	52
610	643	871	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	B-4:B-4:H-1:	B(C[6a]C[6a]2)3(OBH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(OBH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)2(H)	107.9374	0.942	12	107.9374	0.887	12	107.9374	0.887	12	107.5876	2.524	15	106.6820	7.100	52	106.6820	7.100	52
610	643	871	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:H-1:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CH3)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CH3)(H)	106.0065	4.248	2	106.0065	18.042	2	106.0065	18.042	2	107.5876	2.524	15	106.6820	7.100	52	106.6820	7.100	52
610	643	871	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:	B(C[6a]C[6a]2)3(OCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CCHH)2	B(C[6a]C[6a]2)3(OCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CCHH)2	106.8455	3.028	6	106.8455	9.166	6	106.8455	9.166	6	106.8455	9.166	6	106.6820	7.100	52	106.6820	7.100	52
610	643	871	0:SP3_SP2_SP3	B	C[6a]	O	4:3:3:3:	4:3:3:	4:4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	B-4:C[6a]-3:C[6a]-3:	B-4:B-4:H-1:	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2	O(BC[6a]2C[5])2(H)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(BC[6a]2C[5])2(H)	107.1593	2.795	4	107.1593	7.812	4	107.1593	7.812	4	107.1593	7.812	4	106.6820	7.100	52	106.6820	7.100	52
610	643	880	0:SP3_SP2_SP3	B	C[6a]	Si	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:B-4:	B-4:Si-4:Si-4:Si-4:	B(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]F)2(BC[6a]2Si)	Si(BC[6a]3)(SiCCO)3	B(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]F)2(BC[6a]2Si){1|C<3>,2|F<1>}	Si(BC[6a]3)(SiCCO)3	106.6277	1.027	3	106.6277	1.054	3	106.6277	1.054	3	106.6277	1.054	3	110.7725	69.421	4	110.7725	69.421	4
610	643	880	0:SP3_SP2_SP3	B	C[6a]	Si	3:4:1:1:	3:3:4:	4:3:4:1:	C[6a]-3:Si-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C[5]-3:Si-4:H-1:	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2Si)	Si(BC[6a]Br2)(C[5]N[5]2)(SiC3)(H)	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2Si){1|C<3>,2|H<1>}	Si(BC[6a]Br2)(C[5]N[5]2)(SiC3)(H)	123.2070	0.000	1	123.2070	0.000	1	123.2070	0.000	1	123.2070	0.000	1	110.7725	69.421	4	110.7725	69.421	4
610	643	887	0:SP3_SP2_SP3	B	C[6a]	S	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:	B(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]F)2(BHHS)	S(BC[6a]HH)(CH3)2	B(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]F)2(BHHS){1|C<3>,2|F<1>}	S(BC[6a]HH)(CH3)2	106.6610	0.000	1	106.6610	0.000	1	106.6610	0.000	1	106.6610	0.000	1	105.2293	7.666	7	105.2293	7.666	7
610	643	887	0:SP3_SP2_SP3	B	C[6a]	S	3:3:3:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:	B(C[6a]C[6a]2)3(SCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	S(BC[6a]3)(CH3)2	B(C[6a]C[6a]2)3(SCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	S(BC[6a]3)(CH3)2	104.9907	2.953	6	104.9907	8.721	6	104.9907	8.721	6	104.9907	8.721	6	105.2293	7.666	7	105.2293	7.666	7
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:H-1:H-1:	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(BC[6a]3)(H)2	106.8474	3.154	9	106.8474	9.950	9	106.8466	6.919	15	106.8466	6.919	15	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	3:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:H-1:H-1:	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NC[6a]HH)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]3)(H)2	106.8453	1.858	6	106.8453	3.452	6	106.8466	6.919	15	106.8466	6.919	15	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-4:H-1:	B(C[6a]C[6a]2)3(NC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	B(C[6a]C[6a]2)3(NC[6a]CH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	109.1012	0.764	6	109.1012	0.584	6	109.1012	0.584	6	109.1012	0.584	6	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:1:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:H-1:H-1:	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(H)3	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(H)3	106.6880	2.910	21	106.6880	8.467	21	106.6316	6.986	27	106.6316	6.986	27	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:1:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:H-1:H-1:	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	N(BC[6a]3)(H)3	B(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(H)3	106.4343	1.549	6	106.4343	2.399	6	106.6316	6.986	27	106.6316	6.986	27	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:2:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:H-1:H-1:	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(NC)(H)2	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(NC)(H)2	106.1077	3.457	3	106.1077	11.954	3	105.4300	8.955	6	105.4300	8.955	6	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:2:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:H-1:H-1:	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	N(BC[6a]3)(NC)(H)2	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(NC)(H)2	104.7523	3.009	3	104.7523	9.056	3	105.4300	8.955	6	105.4300	8.955	6	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:3:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:H-1:H-1:	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(NCH)(H)2	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(NCH)(H)2	106.9537	4.554	3	106.9537	20.738	3	106.9537	20.738	3	106.9537	20.738	3	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[4,6a]-3:C[6a]-3:B-4:	B-4:N-4:H-1:H-1:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N)	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N){1|H<1>,3|C<3>}	N(BC[6a]3)(NBHH)(H)2	100.9560	0.000	1	100.9560	0.000	1	100.9560	0.000	1	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:B-4:	B-4:B-4:H-1:H-1:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N)	N(BC[6a]3)(BHHP)(H)2	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2N){1|C<4>,1|H<1>,2|C<3>}	N(BC[6a]3)(BHHP)(H)2	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:B-4:H-1:H-1:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(BHHP)(H)2	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(BHHP)(H)2	105.6125	2.589	2	105.6125	6.701	2	108.9975	5.956	106	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:B-4:H-1:H-1:	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)2(H)2	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)2(H)2	109.0848	2.436	101	109.0848	5.933	101	108.9975	5.956	106	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:B-4:H-1:H-1:	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	N(BC[5]ClH)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NBHH)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|C<4>}	N(BC[5]ClH)(BC[6a]3)(H)2	108.3170	0.401	3	108.3170	0.161	3	108.9975	5.956	106	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:H-1:H-1:	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CC3)(H)2	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CC3)(H)2	107.8905	4.025	6	107.8905	16.199	6	107.8905	16.199	6	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:N-4:H-1:H-1:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[6a]C[6a]C)2(BC[6a]2N)	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	C[6a](C[6a]C[6a]C)2(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(NBHH)(H)2	104.3523	7.571	2	104.3523	57.324	2	105.4451	23.051	5	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	B-4:N-4:H-1:H-1:	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[6a]2)3(NHHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(NBHH)(H)2	106.1737	3.931	3	106.1737	15.450	3	105.4451	23.051	5	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C-4:B-4:H-1:H-1:	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(CC[6a]CH)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(CC[6a]CH)(BC[6a]3)(H)2	107.4443	3.185	3	107.4443	10.144	3	107.5492	9.562	6	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C-4:B-4:H-1:H-1:	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(CC[6a]HH)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(CC[6a]HH)(BC[6a]3)(H)2	107.6540	3.705	3	107.6540	13.727	3	107.5492	9.562	6	108.6976	8.034	125	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C-4:C-4:B-4:H-1:	B(C[6a]C[6a]2)3(NCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(CC[6a]HH)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NCCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(CC[6a]HH)2(BC[6a]3)(H)	108.6097	2.813	3	108.6097	7.913	3	108.6097	7.913	3	108.6097	7.913	3	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:B-4:	C-4:B-4:C-4:C-4:	B(C[6a]C[6a]2)3(NC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(CC[6a]HH)(BC[6a]3)(CH3)2	B(C[6a]C[6a]2)3(NC3)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(CC[6a]HH)(BC[6a]3)(CH3)2	108.1797	1.241	3	108.1797	1.540	3	108.1797	1.540	3	108.1797	1.540	3	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:H-1:H-1:	B(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	N(BC[6a]2H)(H)3	B(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	N(BC[6a]2H)(H)3	109.4930	2.160	2	109.4930	4.663	2	109.4930	4.663	2	109.4930	4.663	2	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:4:2:	3:3:4:	4:3:1:1:	C[6a]-3:C[6a]-3:N-4:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:H-1:H-1:	B(C[6a]C[6a]2)2(NHHN)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CN)	N(BC[6a]2C)(NHH)(H)2	B(C[6a]C[6a]2)2(NHHN)(CC)	C[6a](C[6a]C[6a]H)2(BC[6a]CN){1|C<3>,2|H<1>}	N(BC[6a]2C)(NHH)(H)2	107.4935	3.010	8	107.4935	9.061	8	107.4935	9.061	8	107.4935	9.061	8	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:4:2:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:H-1:H-1:	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO)	N(BC[6a]2O)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO){1|C<3>,2|H<1>}	N(BC[6a]2O)(CC[6a]HH)(H)2	108.2200	0.460	2	108.2200	0.211	2	109.2755	0.839	10	109.2755	0.839	10	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:4:2:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:H-1:H-1:	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	N(BC[6a]2O)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	N(BC[6a]2O)(CC[6a]HH)(H)2	109.1538	0.874	4	109.3107	0.538	6	109.2755	0.839	10	109.2755	0.839	10	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:4:2:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:H-1:H-1:	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	N(BC[6a]2O)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|H<1>}	N(BC[6a]2O)(CC[6a]HH)(H)2	109.6245	0.326	2	109.3107	0.538	6	109.2755	0.839	10	109.2755	0.839	10	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:3:4:2:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:H-1:H-1:	B(C[6a]C[6a]2)2(NCHH)(OH)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	N(BC[6a]2O)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OH)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	N(BC[6a]2O)(CC[6a]HH)(H)2	110.2255	0.780	2	110.2255	0.608	2	109.2755	0.839	10	109.2755	0.839	10	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:H-1:	B(C[6a]C[6a]2)(NCCH)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2N)	N(BC[6a]Br2)(CH3)2(H)	B(C[6a]C[6a]2)(NCCH)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2N){1|C<3>,2|H<1>}	N(BC[6a]Br2)(CH3)2(H)	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	108.2064	8.085	210	108.2064	8.085	210
610	643	892	0:SP3_SP2_SP3	B	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:C-4:	B(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(BHHN)	N(BC[6a]HH)(CH3)3	B(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(BHHN){1|C<3>,2|F<1>}	N(BC[6a]HH)(CH3)3	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	108.2064	8.085	210	108.2064	8.085	210
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:2:2:2:	3:3:4:	3:4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:	B(C[6a]C[6a]2)(OC[5])3	C[6a](C[6a]C[6a]H)2(BO3)	O(C[5]N[5,6]P[5])(BC[6a]OO)	B(C[6a]C[6a]2)(OC[5])3	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	O(C[5]N[5,6]P[5])(BC[6a]OO)	109.3767	1.349	3	109.3767	1.820	3	109.3767	1.820	3	110.1866	10.469	5	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:2:2:2:	3:3:4:	3:4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:	B(C[6a]C[6a]2)(OC[6a])2(OP)	C[6a](C[6a]C[6a]F)2(BO3)	O(C[6a]C[6a]2)(BC[6a]OO)	B(C[6a]C[6a]2)(OC[6a])2(OP)	C[6a](C[6a]C[6a]F)2(BO3){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(BC[6a]OO)	111.4015	5.772	2	111.4015	33.317	2	111.4015	33.317	2	110.1866	10.469	5	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)(ON[6])(OC)2	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(CC[6a]O)	B(C[6a]C[6a]2)(ON[6])(OC)2	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|C<4>}	O(BC[6a]OO)(CC[6a]O)	114.7425	0.230	4	114.7425	0.053	4	114.7425	0.053	4	114.7425	0.053	4	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)2(BC[6a]HO)	O(BC[6a]2H)(CHO)	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)2(BC[6a]HO){1|C<3>,2|H<1>}	O(BC[6a]2H)(CHO)	107.4590	7.958	2	107.4590	63.326	2	107.6647	21.424	4	107.6647	21.424	4	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	O(BC[6a]2H)(CHO)	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	O(BC[6a]2H)(CHO)	107.8705	0.882	2	107.8705	0.778	2	107.6647	21.424	4	107.6647	21.424	4	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:2:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO)	O(C[6a]C[6a]2)(BC[6a]2O)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(BC[6a]2O)	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	112.5015	2.844	2	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:2:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	O(C[6a]C[6a]2)(BC[6a]2O)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(BC[6a]2O)	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	112.5015	2.844	2	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:B-3:	B(C[6a]C[6a]2)2(OB)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	O(BC[6a]2O)(BC[6a]2)	B(C[6a]C[6a]2)2(OB)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	O(BC[6a]2O)(BC[6a]2)	112.3880	0.925	2	112.3880	0.855	2	112.3880	0.855	2	110.1128	12.082	6	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(OB)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	O(BC[6a]2O)(COP)	B(C[6a]C[6a]2)2(OB)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	O(BC[6a]2O)(COP)	106.0140	2.976	2	106.0140	8.854	2	108.9753	14.674	4	110.1128	12.082	6	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(OC)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	O(BC[6a]2O)(COP)	B(C[6a]C[6a]2)2(OC)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	O(BC[6a]2O)(COP)	111.9365	0.306	2	111.9365	0.094	2	108.9753	14.674	4	110.1128	12.082	6	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:2:4:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:C-4:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:	B(C[6a]C[6a]2)2(OC[5])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(C[5]B[5]C[5])(BC[6a]2C)	B(C[6a]C[6a]2)2(OC[5])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(C[5]B[5]C[5])(BC[6a]2C)	103.9831	1.853	10	103.9831	3.433	10	103.9831	3.433	10	104.1197	2.934	12	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:2:4:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:B-4:	B(C[6a]C[6a]2)2(OC[6])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(C[6]O[6]P[6])(BC[6a]2C)	B(C[6a]C[6a]2)2(OC[6])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(C[6]O[6]P[6])(BC[6a]2C)	104.8025	0.510	2	104.8025	0.260	2	104.8025	0.260	2	104.1197	2.934	12	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[3]-3:B-4:	B(C[6a]C[6a]2)3(OC[3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[3]P[3,5]P[3])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[3]P[3,5]P[3])(BC[6a]3)	106.5430	3.285	3	106.5430	10.791	3	106.5430	10.791	3	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[5]C[5,6a]C[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[5]C[5,6a]C[5])(BC[6a]3)	106.9598	3.594	6	106.9598	12.916	6	106.1482	12.772	32	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[5]C[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[5]C[5]O[5])(BC[6a]3)	105.9311	4.015	15	105.9311	16.120	15	106.1482	12.772	32	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[5]N[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[5]N[5]O[5])(BC[6a]3)	106.5800	3.757	3	106.5800	14.112	3	106.1482	12.772	32	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[5]O[5]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[5]O[5]2)(BC[6a]3)	105.0042	3.284	5	105.0042	10.781	5	106.1482	12.772	32	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	O(C[5]C[5]N[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(C[5]C[5]N[5])(BC[6a]3)	107.0853	3.156	3	107.0853	9.962	3	106.1482	12.772	32	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:B-4:	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[6]C[6,6a]C[6])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[6]C[6,6a]C[6])(BC[6a]3)	105.8767	4.186	3	105.8767	17.519	3	106.3238	16.929	21	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:B-4:	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[6]C[6]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[6]C[6]2)(BC[6a]3)	107.6019	4.024	9	107.6019	16.196	9	106.3238	16.929	21	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:B-4:	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[6]C[6]O[6])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[6]C[6]O[6])(BC[6a]3)	105.1948	4.290	9	105.1948	18.400	9	106.3238	16.929	21	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[6a]C[6a,6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[6a]C[6a,6a]2)(BC[6a]3)	108.4370	0.804	3	108.4370	0.646	3	107.2830	19.133	27	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[6a]C[6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(BC[6a]3)	107.1388	4.624	24	107.1388	21.377	24	107.2830	19.133	27	106.5761	15.540	83	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O)	O(BC[6a]3)(NN)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	O(BC[6a]3)(NN)	106.3710	0.000	1	106.3710	0.000	1	106.3710	0.000	1	107.0847	14.916	39	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(NN)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(NN)	107.6770	2.253	2	107.6770	5.075	2	107.1035	15.305	38	107.0847	14.916	39	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(NC)	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(NC)	107.5881	4.782	12	107.5881	22.872	12	107.1035	15.305	38	107.0847	14.916	39	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(NC[5])	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(NC[5])	106.7493	3.871	3	106.7493	14.987	3	107.1035	15.305	38	107.0847	14.916	39	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(NN)	106.8667	3.793	20	106.8667	14.386	20	107.1035	15.305	38	107.0847	14.916	39	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	O(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(NN)	105.9390	0.000	1	105.9390	0.000	1	107.1035	15.305	38	107.0847	14.916	39	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C-3:N-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(BCNO)	O(BC[6a]CN)(CCN)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(BCNO){1|C<3>,2|H<1>}	O(BC[6a]CN)(CCN)	109.0650	0.151	2	109.0650	0.023	2	109.0650	0.023	2	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(CCH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CCH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(CCC)	111.9415	1.170	4	111.9415	1.368	4	110.8823	3.682	6	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(CC[6a]H)	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(CC[6a]H)	108.7640	0.919	2	108.7640	0.845	2	110.8823	3.682	6	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O)	O(BC[6a]3)(CC[5]O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,5|C<3>}	O(BC[6a]3)(CC[5]O)	116.7180	0.000	1	116.7180	0.000	1	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CCH)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CCH)	104.0247	3.392	3	104.0247	11.505	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CCO)	107.0575	3.949	21	107.0575	15.598	21	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CC[5]H)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CC[5]H)	105.2457	2.907	3	105.2457	8.449	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CC[5]O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CC[5]O)	106.8666	4.020	8	106.8666	16.159	8	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CC[6]O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CC[6]O)	108.5517	2.721	3	108.5517	7.402	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CC[6a]C)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CC[6a]C)	108.0837	4.598	15	108.0837	21.140	15	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CC[6a]H)	105.2553	2.395	3	105.2553	5.738	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CC[6a]N)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CC[6a]N)	108.1878	3.045	6	108.1878	9.273	6	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CC[6a]O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CC[6a]O)	107.3628	4.261	9	107.3628	18.153	9	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CHO)	106.1789	3.408	18	106.1789	11.612	18	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CMoO)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CMoO)	107.1960	3.083	3	107.1960	9.508	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CNO)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CNO)	107.3223	4.169	15	107.3223	17.381	15	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CN[5a]O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CN[5a]O)	107.4157	5.412	3	107.4157	29.290	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CN[6]O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CN[6]O)	108.4450	5.617	3	108.4450	31.551	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(COP)	106.6247	3.853	15	106.6247	14.844	15	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CRuB)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CRuB)	108.3400	6.281	3	108.3400	39.448	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O)	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(CCO)	108.2690	0.252	2	108.2690	0.063	2	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O)	O(BC[6a]3)(CC[6a]O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(CC[6a]O)	112.4940	1.355	2	112.4940	1.836	2	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(CCO)	109.6200	0.000	1	109.6200	0.000	1	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	O(BC[6a]3)(CC[6a]O)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(CC[6a]O)	103.5440	0.000	1	103.5440	0.000	1	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	O(BC[6a]3)(CHN)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(CHN)	106.1463	1.342	3	106.1463	1.800	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(CHO)	106.2447	1.249	3	106.2447	1.559	3	107.1682	14.965	144	107.3397	14.860	152	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-3:	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	O(BC[6a]2C[6])(CC[5]O)	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(BC[6a]2C[6])(CC[5]O)	102.3235	2.775	2	102.3235	7.703	2	102.3235	7.703	2	106.6410	30.045	4	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	O(BC[6a]2N[6])(CC[6a]O)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(BC[6a]2N[6])(CC[6a]O)	110.9585	2.805	2	110.9585	7.869	2	110.9585	7.869	2	106.6410	30.045	4	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:S-2:	B(C[6a]C[6a]2)2(CCHH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(SO)	B(C[6a]C[6a]2)2(CCHH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(SO)	106.9207	1.467	4	106.9207	2.153	4	106.9207	2.153	4	106.9207	2.153	4	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:4:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(CCC)	107.0440	0.560	2	107.0440	0.314	2	106.2533	0.970	4	108.2220	8.120	12	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:4:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(CCH)	105.4625	0.308	2	105.4625	0.095	2	106.2533	0.970	4	108.2220	8.120	12	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:4:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO)	O(BC[6a]2N)(CCO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO){1|C<3>,2|H<1>}	O(BC[6a]2N)(CCO)	109.8545	4.013	2	109.8545	16.103	2	109.2064	9.023	8	108.2220	8.120	12	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:4:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	O(BC[6a]2N)(CCO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	O(BC[6a]2N)(CCO)	108.6585	3.704	4	108.6585	13.719	4	109.2064	9.023	8	108.2220	8.120	12	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:4:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	O(BC[6a]2N)(CC[6a]O)	B(C[6a]C[6a]2)2(NCHH)(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|H<1>}	O(BC[6a]2N)(CC[6a]O)	109.6540	1.860	2	109.6540	3.458	2	109.2064	9.023	8	108.2220	8.120	12	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP2	B	C[6a]	O	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-3:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2	O(BC[6a]2C[5])(CC[6a]C)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C[6a](BC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(BC[6a]2C[5])(CC[6a]C)	109.9205	1.111	2	109.9205	1.234	2	109.9205	1.234	2	109.9205	1.234	2	107.2528	15.341	329	107.2528	15.341	329
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:F-1:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:	B(C[6a]C[6a]2)(OC)(F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO)	O(BC[6a]FF)(CH3)	B(C[6a]C[6a]2)(OC)(F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO){1|C<3>,2|C<4>,3|H<1>}	O(BC[6a]FF)(CH3)	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	3:4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	N[6]-3:B-4:	B(C[6a]C[6a]2)(ON[6])(OC)2	C[6a](C[6a]C[6a]H)2(BO3)	O(N[6]C[6]2)(BC[6a]OO)	B(C[6a]C[6a]2)(ON[6])(OC)2	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|C<4>}	O(N[6]C[6]2)(BC[6a]OO)	104.4145	0.634	2	104.4145	0.402	2	104.4145	0.402	2	104.4145	0.402	2	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:1:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:	B(C[6a]C[6a]2)(OH)(ON)2	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(H)	B(C[6a]C[6a]2)(OH)(ON)2	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	O(BC[6a]OO)(H)	114.9640	0.000	1	114.9640	0.000	1	112.5147	3.649	4	112.5147	3.649	4	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:1:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:	B(C[6a]C[6a]2)(OH)3	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(H)	B(C[6a]C[6a]2)(OH)3	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	O(BC[6a]OO)(H)	111.6983	1.214	3	111.6983	1.474	3	112.5147	3.649	4	112.5147	3.649	4	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(OH)(ON)2	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(NCoC)	B(C[6a]C[6a]2)(OH)(ON)2	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	O(BC[6a]OO)(NCoC)	106.2155	0.243	2	106.2155	0.059	2	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3)	O(BC[6a]OO)(NC[6]Fe)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3){1|C<3>,1|H<1>}	O(BC[6a]OO)(NC[6]Fe)	108.3718	0.883	6	108.3718	0.779	6	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3)	O(BC[6a]OO)(NFeC)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3){1|C<3>,1|H<1>}	O(BC[6a]OO)(NFeC)	109.1502	0.820	6	109.1502	0.672	6	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(NC[6]Fe)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	O(BC[6a]OO)(NC[6]Fe)	108.7654	2.129	12	108.7502	3.614	15	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(NC[6]Fe)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3){1|N<2>,2|H<1>}	O(BC[6a]OO)(NC[6]Fe)	108.6893	0.603	3	108.7502	3.614	15	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(NCoC)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	O(BC[6a]OO)(NCoC)	106.1672	2.959	15	106.1672	8.758	15	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(NFeC)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	O(BC[6a]OO)(NFeC)	108.5205	1.724	21	108.5417	2.450	33	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(NFeC)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3){2|Br<1>,1|C<3>}	O(BC[6a]OO)(NFeC)	108.3952	1.295	6	108.5417	2.450	33	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(NFeC)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3){3|C<3>}	O(BC[6a]OO)(NFeC)	108.7622	1.425	6	108.5417	2.450	33	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(NMnC)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	O(BC[6a]OO)(NMnC)	107.0477	0.677	3	107.0477	0.459	3	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3)	O(BC[6a]OO)(NZnC)	B(C[6a]C[6a]2)(ON)3	C[6a](C[6a]C[6a]H)2(BO3){1|C<3>,2|H<1>}	O(BC[6a]OO)(NZnC)	106.7603	0.860	9	106.7603	0.739	9	107.9234	4.153	89	107.9234	4.153	89	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:2:2:2:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)(OC[6a])2(OP)	C[6a](C[6a]C[6a]F)2(BO3)	O(BC[6a]OO)(PC3)	B(C[6a]C[6a]2)(OC[6a])2(OP)	C[6a](C[6a]C[6a]F)2(BO3){1|C<3>,2|F<1>}	O(BC[6a]OO)(PC3)	105.5410	0.000	1	105.5410	0.000	1	105.5410	0.000	1	105.5410	0.000	1	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	O(BC[6a]2H)(CC3)	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	O(BC[6a]2H)(CC3)	110.6088	4.020	8	110.6088	16.163	8	110.6088	16.163	8	110.1281	8.731	17	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	O(BC[6a]2H)(PC[6a]2H)	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	O(BC[6a]2H)(PC[6a]2H)	109.8810	1.467	2	109.8810	2.151	2	109.8363	2.830	6	110.1281	8.731	17	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	O(BC[6a]2H)(PC[6a]CC)	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	O(BC[6a]2H)(PC[6a]CC)	109.8140	2.000	4	109.8140	3.999	4	109.8363	2.830	6	110.1281	8.731	17	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	N[6]-4:B-4:	B(C[6a]C[6a]2)2(ON[6])(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	O(N[6]C[6]2H)(BC[6a]2H)	B(C[6a]C[6a]2)2(ON[6])(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	O(N[6]C[6]2H)(BC[6a]2H)	109.7150	2.844	2	109.7150	8.088	2	109.7150	8.088	2	110.1281	8.731	17	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6a](C[6a]C[6a]F)2(BN[6]HO)	O(BC[6a]N[6]H)(PC[6a]2O)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6a](C[6a]C[6a]F)2(BN[6]HO){1|C<3>,2|F<1>}	O(BC[6a]N[6]H)(PC[6a]2O)	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	110.1281	8.731	17	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:	B(C[6a]C[6a]2)2(ON)2	C[6a](C[6a]C[6a]H)2(BC[6a]OO)	O(BC[6a]2O)(NFeC)	B(C[6a]C[6a]2)2(ON)2	C[6a](C[6a]C[6a]H)2(BC[6a]OO){1|C<3>,2|H<1>}	O(BC[6a]2O)(NFeC)	107.3126	4.116	16	107.3126	16.938	16	107.3126	16.938	16	107.3126	16.938	16	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[4,6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO)	O(BC[6a]2O)(PC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO){1|H<1>,3|C<3>}	O(BC[6a]2O)(PC[6a]3)	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	109.2741	7.027	16	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:	B(C[6a]C[6a]2)2(ON[6])(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	O(BC[6a]2O)(CH3)	B(C[6a]C[6a]2)2(ON[6])(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	O(BC[6a]2O)(CH3)	114.4865	3.139	2	114.4865	9.852	2	114.4865	9.852	2	109.2741	7.027	16	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	O(BC[6a]2O)(PC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	O(BC[6a]2O)(PC[6a]3)	107.3440	0.000	1	107.3440	0.000	1	109.1772	1.691	9	109.2741	7.027	16	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)2(OP)2	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	O(BC[6a]2O)(PC[5a]OO)	B(C[6a]C[6a]2)2(OP)2	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	O(BC[6a]2O)(PC[5a]OO)	109.4064	1.180	8	109.4064	1.393	8	109.1772	1.691	9	109.2741	7.027	16	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:S-4:	B(C[6a]C[6a]2)2(OC)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	O(BC[6a]2O)(SCOO)	B(C[6a]C[6a]2)2(OC)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	O(BC[6a]2O)(SCOO)	107.1145	2.275	2	107.1145	5.175	2	107.1145	5.175	2	109.2741	7.027	16	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:B-4:	N[6]-4:B-4:	B(C[6a]C[6a]2)2(ON[6])(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO)	O(N[6]C[6]2H)(BC[6a]2O)	B(C[6a]C[6a]2)2(ON[6])(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]OO){1|C<3>,2|F<1>}	O(N[6]C[6]2H)(BC[6a]2O)	107.5335	1.993	2	107.5335	3.973	2	107.5335	3.973	2	109.2741	7.027	16	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:3:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:B-4:	N[6]-4:B-4:	B(C[6a]C[6a]2)2(ON[6])(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(N[6]C[6]2H)(BC[6a]2C)	B(C[6a]C[6a]2)2(ON[6])(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(N[6]C[6]2H)(BC[6a]2C)	107.3870	0.892	2	107.3870	0.796	2	107.3870	0.796	2	107.3870	0.796	2	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:2:4:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:C-4:	C[6a]-3:C[6a]-3:B-4:	S[5]-3:B-4:	B(C[6a]C[6a]2)2(OS[5])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(S[5]O[5]2)(BC[6a]2C)	B(C[6a]C[6a]2)2(OS[5])(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(S[5]O[5]2)(BC[6a]2C)	104.4870	1.914	4	104.4870	3.663	4	104.4870	3.663	4	104.4870	3.663	4	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	N[6,6]-3:B-4:	B(C[6a]C[6a]2)3(ON[6,6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(N[6,6]C[5,6,6]C[3x6])(BC[6a]3)	B(C[6a]C[6a]2)3(ON[6,6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(N[6,6]C[5,6,6]C[3x6])(BC[6a]3)	106.7502	3.935	6	106.7502	15.486	6	106.7502	15.486	6	107.2193	10.614	9	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	N[6]-3:B-4:	B(C[6a]C[6a]2)3(ON[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(N[6]C[6]2)(BC[6a]3)	B(C[6a]C[6a]2)3(ON[6])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(N[6]C[6]2)(BC[6a]3)	108.1577	1.327	3	108.1577	1.762	3	108.1577	1.762	3	107.2193	10.614	9	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C)2(BC[6a]2O)	O(BC[6a]3)(H)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(H)	107.9440	5.108	2	107.9440	26.093	2	108.1091	18.538	50	108.1091	18.538	50	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)2(BC[6a]2O)	O(BC[6a]3)(H)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(H)	102.7480	0.000	1	102.7480	0.000	1	108.1091	18.538	50	108.1091	18.538	50	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(H)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(H)	108.3204	4.308	46	108.3204	18.559	46	108.1091	18.538	50	108.1091	18.538	50	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	O(BC[6a]3)(H)	B(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(H)	104.0790	0.000	1	104.0790	0.000	1	108.1091	18.538	50	108.1091	18.538	50	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CC)	106.2870	3.571	3	106.2870	12.755	3	106.6243	13.396	6	106.6243	13.396	6	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CW)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CW)	106.9617	4.516	3	106.9617	20.394	3	106.6243	13.396	6	106.6243	13.396	6	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:S-3:	B(C[6a]C[6a]2)3(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(SOP)	B(C[6a]C[6a]2)3(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(SOP)	107.3070	2.565	6	107.3070	6.580	6	107.3070	6.580	6	107.3070	6.580	6	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:S-4:	B(C[6a]C[6a]2)2(CCH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(SCOO)	B(C[6a]C[6a]2)2(CCH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(SCOO)	106.1100	0.341	2	106.1100	0.116	2	106.1100	0.116	2	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:B-4:	B-4:C-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2O)	O(BC[6a]3)(CPdCC)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2O){1|Pd<5>,2|C<3>,2|C<4>}	O(BC[6a]3)(CPdCC)	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	As-4:B-4:	B(C[6a]C[6a]2)3(OAs)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(AsC[6a]3)(BC[6a]3)	B(C[6a]C[6a]2)3(OAs)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(AsC[6a]3)(BC[6a]3)	107.0147	1.912	3	107.0147	3.657	3	107.0147	3.657	3	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O)	O(BC[6a]3)(CPdCC)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]H)2(BC[6a]2O){1|C<3>,2|H<1>}	O(BC[6a]3)(CPdCC)	106.8505	6.326	2	106.8505	40.024	2	109.3274	12.744	50	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(CCHH)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(CCHH)	109.4306	3.487	48	109.4306	12.163	48	109.3274	12.744	50	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(PCCH)	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(PCCH)	108.3277	0.740	3	108.3277	0.547	3	107.3415	4.035	24	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(PC[6a]3)	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(PC[6a]3)	105.0153	0.121	3	105.0153	0.015	3	107.3415	4.035	24	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(PNOO)	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(PNOO)	107.2737	2.133	15	107.2737	4.551	15	107.3415	4.035	24	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(BC[6a]3)(PN[5]CC)	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(BC[6a]3)(PN[5]CC)	109.0203	0.384	3	109.0203	0.147	3	107.3415	4.035	24	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C-4:B-4:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(CC[6a]HH)(BC[6a]3)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(CC[6a]HH)(BC[6a]3)	108.6560	4.689	3	108.6560	21.987	3	109.1278	9.223	6	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C-4:B-4:	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(CC[6a]HP)(BC[6a]3)	B(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(CC[6a]HP)(BC[6a]3)	109.5997	0.634	3	109.5997	0.402	3	109.1278	9.223	6	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[3,3]-4:B-4:	B(C[6a]C[6a]2)3(OC[3,3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(C[3,3]Nb[3,3,6]N[3]O[3])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[3,3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(C[3,3]Nb[3,3,6]N[3]O[3])(BC[6a]3)	108.0338	3.912	6	108.0338	15.303	6	108.0338	15.303	6	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	Ge[5]-4:B-4:	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(Ge[5]C[6a]N[5]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(Ge[5]C[6a]N[5]2)(BC[6a]3)	109.3257	2.369	3	109.3257	5.610	3	108.8743	9.551	27	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	Ge[5]-4:B-4:	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(Ge[5]N[5]2C)(BC[6a]3)	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(Ge[5]N[5]2C)(BC[6a]3)	108.8277	4.055	6	108.8277	16.440	6	108.8743	9.551	27	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	Ge[5]-4:B-4:	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(Ge[5]N[5]2Cl)(BC[6a]3)	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(Ge[5]N[5]2Cl)(BC[6a]3)	108.6180	5.519	3	108.6180	30.458	3	108.8743	9.551	27	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	Ge[5]-4:B-4:	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(Ge[5]N[5]2O)(BC[6a]3)	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(Ge[5]N[5]2O)(BC[6a]3)	109.1573	2.723	9	109.1573	7.413	9	108.8743	9.551	27	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	Ge[5]-4:B-4:	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(Ge[5]N[5]2S)(BC[6a]3)	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(Ge[5]N[5]2S)(BC[6a]3)	108.1683	3.377	3	108.1683	11.404	3	108.8743	9.551	27	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	Ge[5]-4:B-4:	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(Ge[5]N[5a]N[5]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OGe[5])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(Ge[5]N[5a]N[5]2)(BC[6a]3)	108.6297	2.081	3	108.6297	4.330	3	108.8743	9.551	27	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	P-4:B-4:	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(PC[6a]N[6]O)(BC[6a]3)	B(C[6a]C[6a]2)3(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(PC[6a]N[6]O)(BC[6a]3)	106.6530	3.485	3	106.6530	12.148	3	106.6530	12.148	3	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	S-4:B-4:	B(C[6a]C[6a]2)3(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(SC[6a]OO)(BC[6a]3)	B(C[6a]C[6a]2)3(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(SC[6a]OO)(BC[6a]3)	106.8535	3.650	6	106.8535	13.325	6	106.8535	13.325	6	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]NO)	O(BC[6a]2N)(PC3)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]NO){1|C<3>,2|F<1>}	O(BC[6a]2N)(PC3)	109.1900	2.195	2	109.1900	4.817	2	109.1900	4.817	2	108.5469	10.333	130	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	3:3:4:	8:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:B-4:	Nb[5x3]-8:B-4:	B(C[6a]C[6a]2)3(ONb[5x3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O)	O(Nb[5x3]C[3,3,5]5Cl2)(BC[6a]3)	B(C[6a]C[6a]2)3(ONb[5x3])	C[6a](C[6a]C[6a]F)2(BC[6a]2O){1|C<3>,2|F<1>}	O(Nb[5x3]C[3,3,5]5Cl2)(BC[6a]3)	104.5620	0.865	3	104.5620	0.747	3	104.5620	0.747	3	104.5620	0.747	3	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:P-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2	O(BC[6a]2N[6])(PC[6a]2)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6a](BC[6a]N[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(BC[6a]2N[6])(PC[6a]2)	111.9210	2.280	2	111.9210	5.197	2	111.9210	5.197	2	111.9210	5.197	2	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:P-4:	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	C[6a](BC[5a]C[6a]O)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	105.9003	3.137	10	105.9003	9.843	10	105.9003	9.843	10	107.0461	13.599	14	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:N[5a]-3:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:P-4:	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2	O(BC[6a]2N[5a])(PC[5a]OO)	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	C[6a](BC[6a]N[5a]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(BC[6a]2N[5a])(PC[5a]OO)	109.9105	3.753	4	109.9105	14.086	4	109.9105	14.086	4	107.0461	13.599	14	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:	B(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(H)	110.8265	1.440	2	110.8265	2.075	2	110.8265	2.075	2	110.9748	1.676	4	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:H-1:	B(C[6a]C[6a]2)2(NCHH)(OH)	C[6a](C[6a]C[6a]H)2(BC[6a]NO)	O(BC[6a]2N)(H)	B(C[6a]C[6a]2)2(NCHH)(OH)	C[6a](C[6a]C[6a]H)2(BC[6a]NO){1|C<3>,2|F<1>}	O(BC[6a]2N)(H)	111.1230	1.693	2	111.1230	2.866	2	111.1230	2.866	2	110.9748	1.676	4	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(CC[6a]HH)	B(C[6a]C[6a]2)2(CCHH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(CC[6a]HH)	112.0645	2.644	2	112.0645	6.990	2	112.0645	6.990	2	109.6322	6.221	6	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:	B(C[6a]C[6a]2)2(CCHH)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(PC[6a]2C)	B(C[6a]C[6a]2)2(CCHH)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(PC[6a]2C)	107.8105	0.640	2	107.8105	0.410	2	107.8105	0.410	2	109.6322	6.221	6	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:S-4:	B(C[6a]C[6a]2)2(CCHP)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	O(BC[6a]2C)(SCOO)	B(C[6a]C[6a]2)2(CCHP)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	O(BC[6a]2C)(SCOO)	109.0215	2.119	2	109.0215	4.491	2	109.0215	4.491	2	109.6322	6.221	6	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-4:	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	O(BC[6a]2C[6])(CC[6a]2H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(BC[6a]2C[6])(CC[6a]2H)	109.4110	4.615	2	109.4110	21.294	2	109.2845	12.715	4	109.2845	12.715	4	108.2654	10.444	386	108.2654	10.444	386
610	643	893	0:SP3_SP2_SP3	B	C[6a]	O	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-4:	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2	O(BC[6a]2C[6])(CC[6a]HH)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	C[6a](BC[6a]C[6]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(BC[6a]2C[6])(CC[6a]HH)	109.1580	4.097	2	109.1580	16.785	2	109.2845	12.715	4	109.2845	12.715	4	108.2654	10.444	386	108.2654	10.444	386
610	643	902	0:SP3_SP2_SP2	B	C[6a]	C[3]	3:3:3:1:	4:3:3:	3:4:4:	C[3]-3:C[6a]-3:C[6a]-3:Br-1:	B-4:C[6a]-3:C[6a]-3:	C[3]-3:P[3]-4:B-4:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2	C[3](C[3]C[6a]P[3])(P[3]C[3]CC)(BC[6a]2Br)	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[3](C[3]C[6a]P[3])(P[3]C[3]CC)(BC[6a]2Br){2|C<3>}	109.9200	6.723	2	109.9200	45.201	2	109.9200	45.201	2	109.9200	45.201	2	109.3923	23.225	22	109.3923	23.225	22
610	643	902	0:SP3_SP2_SP2	B	C[6a]	C[3]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	B-4:C[3]-3:C[3]-3:	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2	C[3](BC[6a]2Cl)(C[3]C[3]N)2	B(C[6a]C[6a]2)2(C[3]C[3]2)(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[3](BC[6a]2Cl)(C[3]C[3]N)2	112.1568	2.429	4	112.1568	5.902	4	112.1568	5.902	4	112.1568	5.902	4	109.3923	23.225	22	109.3923	23.225	22
610	643	902	0:SP3_SP2_SP2	B	C[6a]	C[3]	3:3:3:1:	4:3:3:	4:3:4:	C[3]-3:C[6a]-3:C[6a]-3:Br-1:	B-4:C[6a]-3:C[6a]-3:	P[3]-4:C[3]-3:B-4:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Br)	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Br){4|C<3>}	111.7035	4.607	2	111.7035	21.223	2	111.7035	21.223	2	110.7070	26.249	4	109.3923	23.225	22	109.3923	23.225	22
610	643	902	0:SP3_SP2_SP2	B	C[6a]	C[3]	3:3:3:1:	4:3:3:	4:3:4:	C[3]-3:C[6a]-3:C[6a]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	P[3]-4:C[3]-3:B-4:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Cl)	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Cl)	C[6a](BC[6a]C[3]Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Cl){4|C<3>}	109.7105	7.318	2	109.7105	53.551	2	109.7105	53.551	2	110.7070	26.249	4	109.3923	23.225	22	109.3923	23.225	22
610	643	902	0:SP3_SP2_SP2	B	C[6a]	C[3]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[3]-3:	B-4:C[6a]-3:C[6a]-3:	C[3]-3:C[3]-3:B-4:	B(C[6a]C[6a]2)3(C[3]C[3]2)	C[6a](BC[6a]2C[3])(C[6a]C[6a]H)2	C[3](C[3]C[3]N)2(BC[6a]3)	B(C[6a]C[6a]2)3(C[3]C[3]2)	C[6a](BC[6a]2C[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[3](C[3]C[3]N)2(BC[6a]3)	108.2108	3.767	6	108.2108	14.187	6	108.2108	14.187	6	108.2108	14.187	6	109.3923	23.225	22	109.3923	23.225	22
610	643	902	0:SP3_SP2_SP2	B	C[6a]	C[3]	3:3:3:3:	4:3:3:	4:3:4:	C[3]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C[6a]-3:	P[3]-4:C[3]-3:B-4:	B(C[3]C[3]P[3])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[3])(C[6a]C[6a]F)2	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(BC[6a]3)	B(C[3]C[3]P[3])(C[6a]C[6a]2)3	C[6a](BC[6a]2C[3])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(BC[6a]3){6|C<3>}	107.6783	6.498	6	107.6783	42.220	6	107.6783	42.220	6	107.6783	42.220	6	109.3923	23.225	22	109.3923	23.225	22
610	643	909	0:SP3_SP2_SP2	B	C[6a]	S	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:	B(C[6a]C[6a]2)3(SC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	S(C[6a]C[6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(SC[6a])	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	S(C[6a]C[6a]2)(BC[6a]3)	108.0129	6.699	6	108.0129	44.880	6	108.0129	44.880	6	108.0129	44.880	6	108.0129	44.880	6	108.0129	44.880	6
610	643	909	0:SP3_SP2_SP3	B	C[6a]	S	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:	B(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]F)2(BC[6a]2S)	S(BC[6a]3)(CCCH)	B(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]F)2(BC[6a]2S){1|C<3>,2|F<1>}	S(BC[6a]3)(CCCH)	109.0383	6.142	3	109.0383	37.724	3	109.0383	37.724	3	109.0383	37.724	3	109.0383	37.724	3	109.0383	37.724	3
610	643	916	0:SP3_SP2_SP3	B	C[6a]	O[5]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:O[5]-3:Cl-1:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:B-4:	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2	O[5](C[5]C[5]HH)2(BC[6a]2Cl)	B(C[6a]C[6a]2)2(O[5]C[5]2)(Cl)	C[6a](BC[6a]O[5]Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O[5](C[5]C[5]HH)2(BC[6a]2Cl){4|H<1>}	107.1960	0.619	2	107.1960	0.384	2	107.1960	0.384	2	107.1960	0.384	2	106.3744	5.458	8	106.3744	5.458	8
610	643	916	0:SP3_SP2_SP3	B	C[6a]	O[5]	3:3:3:3:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:B-4:	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](BC[6a]2O[5])(C[6a]C[6a]F)2	O[5](C[5]C[5]HH)2(BC[6a]3)	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](BC[6a]2O[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O[5](C[5]C[5]HH)2(BC[6a]3){4|H<1>}	107.3853	3.569	3	107.3853	12.741	3	106.1005	7.204	6	106.1005	7.204	6	106.3744	5.458	8	106.3744	5.458	8
610	643	916	0:SP3_SP2_SP3	B	C[6a]	O[5]	3:3:3:3:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	B-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:B-4:	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](BC[6a]2O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5]HH)2(BC[6a]3)	B(C[6a]C[6a]2)3(O[5]C[5]2)	C[6a](BC[6a]2O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O[5](C[5]C[5]HH)2(BC[6a]3){4|H<1>}	104.8157	0.563	3	104.8157	0.316	3	106.1005	7.204	6	106.1005	7.204	6	106.3744	5.458	8	106.3744	5.458	8
610	643	922	0:SP3_SP2_SP3	B	C[6a]	S[6]	3:3:3:3:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:S[6]-3:	B-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:B-4:	B(C[6a]C[6a]2)3(S[6]C[6]2)	C[6a](BC[6a]2S[6])(C[6a]C[6a]F)2	S[6](C[6]C[6]HH)2(BC[6a]3)	B(C[6a]C[6a]2)3(S[6]C[6]2)	C[6a](BC[6a]2S[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	S[6](C[6]C[6]HH)2(BC[6a]3){1|O<2>,4|H<1>}	104.6649	4.402	3	104.6649	19.382	3	104.6649	19.382	3	104.6649	19.382	3	104.6649	19.382	3	104.6649	19.382	3
610	643	924	0:SP3_SP-NON_SP2	B	C[6a]	Br	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]F)2(BC[5]Br2)	Br(BC[6a]C[5]Br)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]F)2(BC[5]Br2){1|C<3>,2|F<1>}	Br(BC[6a]C[5]Br)	107.2635	2.838	2	107.2635	8.052	2	107.2635	8.052	2	108.5020	36.373	4	109.7492	25.066	13	109.7492	25.066	13
610	643	924	0:SP3_SP-NON_SP2	B	C[6a]	Br	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	C[6a](C[6a]C[6a]F)2(BC[6]Br2)	Br(BC[6a]C[6]Br)	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)2	C[6a](C[6a]C[6a]F)2(BC[6]Br2){1|C<3>,2|F<1>}	Br(BC[6a]C[6]Br)	109.7405	9.743	2	109.7405	94.930	2	109.7405	94.930	2	108.5020	36.373	4	109.7492	25.066	13	109.7492	25.066	13
610	643	924	0:SP3_SP-NON_SP2	B	C[6a]	Br	3:3:3:1:	4:3:3:	4:	C[3]-3:C[6a]-3:C[6a]-3:Br-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2	Br(BC[6a]2C[3])	B(C[3]C[3]P[3])(C[6a]C[6a]2)2(Br)	C[6a](BC[6a]C[3]Br)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	Br(BC[6a]2C[3])	107.5883	5.458	4	107.5883	29.790	4	107.5883	29.790	4	107.5883	29.790	4	109.7492	25.066	13	109.7492	25.066	13
610	643	924	0:SP3_SP-NON_SP2	B	C[6a]	Br	3:3:4:1:	3:3:4:	4:	C[6a]-3:B-3:P-4:Br-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	C[6a](C[6a]C[6a]C)2(BBrBP)	Br(BC[6a]BP)	B(C[6a]C[6a]2)(BC[6a]Br)(PC3)(Br)	C[6a](C[6a]C[6a]C)2(BBrBP){1|C<3>,2|H<1>}	Br(BC[6a]BP)	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	109.7492	25.066	13	109.7492	25.066	13
610	643	924	0:SP3_SP-NON_SP2	B	C[6a]	Br	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(NCCH)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2N)	Br(BC[6a]BrN)	B(C[6a]C[6a]2)(NCCH)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2N){1|C<3>,2|H<1>}	Br(BC[6a]BrN)	112.9275	0.494	2	112.9275	0.244	2	112.9275	0.244	2	111.2752	3.806	4	109.7492	25.066	13	109.7492	25.066	13
610	643	924	0:SP3_SP-NON_SP2	B	C[6a]	Br	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2Si)	Br(BC[6a]BrSi)	B(C[6a]C[6a]2)(SiC[5]SiH)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2Si){1|C<3>,2|H<1>}	Br(BC[6a]BrSi)	109.6230	0.503	2	109.6230	0.253	2	109.6230	0.253	2	111.2752	3.806	4	109.7492	25.066	13	109.7492	25.066	13
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:N-3:	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]C)2(BCl2C)	C(BC[6a]Cl2)(NCC)2	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]C)2(BCl2C){1|C<3>,2|C<4>}	C(BC[6a]Cl2)(NCC)2	118.8810	0.000	1	116.1560	14.851	2	116.1560	14.851	2	116.1560	14.851	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:N-3:N-3:	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]C)2(BCl2C)	C(BC[6a]Cl2)(NCC)2	B(C[6a]C[6a]2)(CNN)(Cl)2	C[6a](C[6a]C[6a]C)2(BCl2C){1|C<3>,2|H<1>}	C(BC[6a]Cl2)(NCC)2	113.4310	0.000	1	116.1560	14.851	2	116.1560	14.851	2	116.1560	14.851	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:2:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(ON[6])(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C(BC[6a]2O)(CC[6a]H)(H)	B(C[6a]C[6a]2)2(ON[6])(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C(BC[6a]2O)(CC[6a]H)(H)	112.5190	2.309	2	112.5190	5.333	2	112.5190	5.333	2	112.5190	5.333	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	110.9240	7.377	2	110.9240	54.413	2	112.7728	17.476	6	112.5379	11.145	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	113.6972	2.751	4	113.6972	7.570	4	112.7728	17.476	6	112.5379	11.145	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	114.0850	3.200	4	114.0850	10.240	4	112.3970	8.808	10	112.5379	11.145	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	110.6305	0.305	2	110.6305	0.093	2	112.3970	8.808	10	112.5379	11.145	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	110.3690	0.263	2	110.3690	0.069	2	112.3970	8.808	10	112.5379	11.145	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	112.8155	4.709	2	112.8155	22.171	2	112.3970	8.808	10	112.5379	11.145	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:C-4:	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C(C[5]P[5]2)(BC[6a]2H)(CH3)	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C(C[5]P[5]2)(BC[6a]2H)(CH3)	111.9315	2.121	2	111.9315	4.497	2	111.9315	4.497	2	111.9315	4.497	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	4:2:1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:O-2:H-1:	B(C[6a]C[6a]2)2(CHO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C(BC[6a]2H)(OZr)(H)	B(C[6a]C[6a]2)2(CHO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C(BC[6a]2H)(OZr)(H)	109.4075	7.492	2	109.4075	56.127	2	109.4075	56.127	2	109.4075	56.127	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C(BC[6a]2H)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C(BC[6a]2H)(CN[6]C)(H)	112.3740	2.843	2	112.3740	8.080	2	112.3740	8.080	2	112.3740	8.080	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	114.2905	2.811	4	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	113.5510	1.547	2	113.5510	2.394	2	113.5813	1.200	3	114.2905	2.811	4	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(BN[6]ClC){1|C<3>,2|F<1>}	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	113.6420	0.000	1	113.6420	0.000	1	113.5813	1.200	3	114.2905	2.811	4	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	4:4:2:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:O-2:	B(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C(BC[6a]2H)(CH3)(OZr)	B(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C(BC[6a]2H)(CH3)(OZr)	112.8190	0.557	2	112.8190	0.310	2	112.8190	0.310	2	112.8190	0.310	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:C-3:	B(C[6a]C[6a]2)2(CCP)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF)	C(BC[6a]2F)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(F)	C[6a](C[6a]C[6a]F)2(BC[6a]CF){1|C<3>,2|F<1>}	C(BC[6a]2F)(PC[6a]HH)(CCH)	110.0350	1.344	2	110.0350	1.805	2	110.0350	1.805	2	109.9565	0.670	4	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:C-3:	B(C[6a]C[6a]2)2(CCP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	C(BC[6a]2H)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	C(BC[6a]2H)(PC[6a]HH)(CCH)	109.8780	0.426	2	109.8780	0.181	2	109.8780	0.181	2	109.9565	0.670	4	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	3:4:3:	C[6a]-3:C-3:N-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(BCNO)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(BCNO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	114.6640	0.730	2	114.6640	0.533	2	114.6640	0.533	2	114.5045	5.587	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	114.5650	3.227	2	114.5650	10.415	2	114.5650	10.415	2	114.5045	5.587	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:I-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(ITe)	C[6a](C[6a]C[6a]F)2(BC[6a]CI)	C(C[6a]C[6a]2)(BC[6a]2I)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(ITe)	C[6a](C[6a]C[6a]F)2(BC[6a]CI){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2I)(CC[6a]Te)	114.9040	3.220	2	114.9040	10.369	2	114.9040	10.369	2	114.5045	5.587	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C(C[6a]C[6a]2)(BC[6a]2O)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2O)(CC[6a]Te)	113.8850	4.080	2	113.8850	16.646	2	113.8850	16.646	2	114.5045	5.587	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:2:3:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:S-2:C-3:	B(C[6a]C[6a]2)2(CCS)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	C(BC[6a]2N)(SC[6a])(CCH)	B(C[6a]C[6a]2)2(CCS)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	C(BC[6a]2N)(SC[6a])(CCH)	113.8570	2.150	2	113.8570	4.621	2	113.8570	4.621	2	113.8570	4.621	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CN[6]C)(H)	109.1705	3.695	2	109.1705	13.650	2	109.1705	13.650	2	108.6954	19.048	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CCH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C(BC[6a]2O)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C(BC[6a]2O)(CN[6]C)(H)	107.9230	3.357	4	107.9230	11.270	4	108.5370	23.816	6	108.6954	19.048	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CCH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO)	C(BC[6a]2O)(CHP)(H)	B(C[6a]C[6a]2)2(CCH)(OS)	C[6a](C[6a]C[6a]F)2(BC[6a]CO){1|C<3>,2|F<1>}	C(BC[6a]2O)(CHP)(H)	109.7650	8.986	2	109.7650	80.747	2	108.5370	23.816	6	108.6954	19.048	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:C-4:	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CC[6a]P)(CH3)	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CC[6a]P)(CH3)	111.4035	0.870	2	111.4035	0.758	2	113.3650	8.608	4	113.3650	8.608	4	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:2:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:C-4:	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CC[6a]Si)(CCHH)	B(C[6a]C[6a]2)2(CCC)(CN)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CC[6a]Si)(CCHH)	115.3265	3.111	2	115.3265	9.676	2	113.3650	8.608	4	113.3650	8.608	4	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C-3:B-4:H-1:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(CC[6a]C[5])(BC[6a]2C)(H)	109.6630	4.528	2	109.6630	20.506	2	109.6630	20.506	2	109.2147	17.342	35	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C-3:B-4:H-1:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(CC[5a]C[6a])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(CC[5a]C[6a])(BC[6a]3)(H)	109.7583	4.130	3	109.7583	17.057	3	109.4472	13.271	12	109.2147	17.342	35	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C-3:B-4:H-1:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(CC[6a]C[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(CC[6a]C[5])(BC[6a]3)(H)	109.2662	3.978	6	109.2662	15.821	6	109.4472	13.271	12	109.2147	17.342	35	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C-3:B-4:H-1:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(CC[6a]C[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(CC[6a]C[6])(BC[6a]3)(H)	109.4980	4.017	3	109.4980	16.134	3	109.4472	13.271	12	109.2147	17.342	35	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[3]-3:B-4:H-1:	B(C[6a]C[6a]2)3(CC[3]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(C[3]N[3,6]C[3])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[3]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(C[3]N[3,6]C[3])(BC[6a]3)(H)	108.4510	5.269	6	108.4510	27.761	6	108.4510	27.761	6	109.2147	17.342	35	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:H-1:	B(C[6a]C[6a]2)3(CC[5]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(C[5]C[5]O[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(C[5]C[5]O[5])(BC[6a]3)(H)	109.2028	4.745	12	109.2028	22.518	12	109.2743	19.982	15	109.2147	17.342	35	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:B-4:H-1:	B(C[6a]C[6a]2)3(CC[5]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(C[5]Si[5]P[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(C[5]Si[5]P[5])(BC[6a]3)(H)	109.5607	3.983	3	109.5607	15.866	3	109.2743	19.982	15	109.2147	17.342	35	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	109.8135	5.359	2	109.8135	28.721	2	109.8344	21.795	16	109.8344	21.795	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	109.8956	4.460	8	109.8956	19.892	8	109.8344	21.795	16	109.8344	21.795	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	111.7810	2.922	2	111.7810	8.537	2	109.8344	21.795	16	109.8344	21.795	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(CC[6a]C)(CTeC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(CTeC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	108.7493	6.785	4	108.7493	46.033	4	109.8344	21.795	16	109.8344	21.795	16	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:2:1:	C[5]-3:C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:O-2:O-1:	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(BC[5]2C)	C(BC[6a]C[5]2)(OB)(O)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(BC[5]2C){1|C<3>,2|H<1>}	C(BC[6a]C[5]2)(OB)(O)	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:C-4:	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CN[6])(CH3)	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CN[6])(CH3)	108.7113	4.716	3	108.7113	22.236	3	108.7113	22.236	3	108.7113	22.236	3	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CCP)(H)	104.1533	3.202	6	104.1533	10.252	6	106.0222	22.507	10	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CC[6a]P)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CC[6a]P)(H)	107.5805	3.566	2	107.5805	12.716	2	106.0222	22.507	10	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CC[6a]Te)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CC[6a]Te)(H)	110.0705	8.944	2	110.0705	79.999	2	106.0222	22.507	10	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[4,6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C)	C(BC[6a]3)(CCP)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C){1|H<1>,3|C<3>}	C(BC[6a]3)(CCP)(H)	99.2567	0.000	1	99.2567	0.000	1	98.8116	0.152	3	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[4,6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C){1|H<1>,3|C<3>}	C(BC[6a]3)(CC[6a]P)(H)	98.5891	0.087	2	98.5891	0.008	2	98.8116	0.152	3	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CCP)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CCP)(H)	112.8690	1.916	2	112.8690	3.672	2	109.3384	14.277	48	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CC[6a]P)(H)	112.7770	2.016	4	112.7770	4.066	4	109.3384	14.277	48	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CCN)(H)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CCN)(H)	109.5623	3.607	3	109.5623	13.012	3	109.3384	14.277	48	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CC[6a]B)(H)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CC[6a]B)(H)	108.3657	1.529	3	108.3657	2.337	3	109.3384	14.277	48	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CC[6a]H)(H)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CC[6a]H)(H)	109.1570	6.357	3	109.1570	40.417	3	109.3384	14.277	48	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CC[6a]P)(H)	108.7996	3.934	21	108.7996	15.478	21	109.3384	14.277	48	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CC[6a]S)(H)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CC[6a]S)(H)	108.8473	2.657	9	108.8473	7.062	9	109.3384	14.277	48	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CHP)(H)	B(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CHP)(H)	108.5743	6.791	3	108.5743	46.118	3	109.3384	14.277	48	108.2770	20.793	61	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]C)2(BC[5]CC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]C)2(BC[5]CC){1|C<3>,2|H<1>}	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	111.9070	2.659	2	111.9070	7.069	2	113.6290	6.477	4	113.5547	3.889	7	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(BC[5]CC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(BC[5]CC){1|C<3>,2|H<1>}	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	115.3510	0.707	2	115.3510	0.500	2	113.6290	6.477	4	113.5547	3.889	7	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(BN[6]CC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	112.6705	0.390	2	112.6705	0.152	2	112.6705	0.152	2	113.5547	3.889	7	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:N-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(BN[6]CN)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(BN[6]CN){1|C<3>,2|H<1>}	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	113.5547	3.889	7	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-2:	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CCHH)(CC)	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CCHH)(CC)	109.5684	7.092	6	109.5684	50.291	6	109.1284	41.478	9	109.0230	33.109	15	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-2:	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CH3)(CC)	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CH3)(CC)	108.2483	6.200	3	108.2483	38.443	3	109.1284	41.478	9	109.0230	33.109	15	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:P-4:C-2:	B(C[6a]C[6a]2)3(CCP)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(PC[6a]3)(CO)	B(C[6a]C[6a]2)3(CCP)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(PC[6a]3)(CO)	108.5020	6.872	3	108.5020	47.220	3	108.5020	47.220	3	109.0230	33.109	15	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:Si-4:C-2:	B(C[6a]C[6a]2)3(CSiC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(SiC3)(CN)	B(C[6a]C[6a]2)3(CSiC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(SiC3)(CN)	109.2277	4.255	3	109.2277	18.108	3	109.2277	18.108	3	109.0230	33.109	15	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:Si-4:C-3:	B(C[6a]C[6a]2)2(CSiC)(CZrC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(SiC3)(CZrC)	B(C[6a]C[6a]2)2(CSiC)(CZrC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(SiC3)(CZrC)	111.0465	5.085	2	111.0465	25.855	2	111.0465	25.855	2	110.4969	29.163	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-3:	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CCHH)(CCP)	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CCHH)(CCP)	111.1200	4.414	3	111.1200	19.483	3	110.3137	35.496	6	110.4969	29.163	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-3:	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C)	C(BC[6a]3)(CH3)(CCP)	B(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2C){1|C<3>,2|F<1>}	C(BC[6a]3)(CH3)(CCP)	109.5073	8.204	3	109.5073	67.306	3	110.3137	35.496	6	110.4969	29.163	8	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	4:3:3:	4:2:3:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:S-2:C-3:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	C(BC[6a]2N[6])(SC[6a])(CCH)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2N[6])(SC[6a])(CCH)	111.8910	6.925	2	111.8910	47.961	2	111.8910	47.961	2	111.8910	47.961	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2	C(BC[6a]2N[6])(CC[6a]Si)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6a](BC[6a]N[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2N[6])(CC[6a]Si)(H)	111.6315	3.014	2	111.6315	9.087	2	111.6315	9.087	2	111.6315	9.087	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:3:4:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:C-4:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]F)2(BN[6]CC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:4:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:B-4:	C-3:B-4:H-1:	B(C[6a]C[6a]2)2(CH3)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CH3)(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(CC[6a]C[5])(BC[6a]2C)(H)	111.6855	0.216	2	111.6855	0.047	2	111.6855	0.047	2	111.6855	0.047	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:4:3:	3:3:4:	4:2:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:C-4:	B(C[6a]C[6a]2)2(CCHH)(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC)	C(BC[6a]2C)(CN[6])(CH3)	B(C[6a]C[6a]2)2(CCHH)(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]CC){1|C<3>,2|F<1>}	C(BC[6a]2C)(CN[6])(CH3)	105.9805	6.597	2	105.9805	43.515	2	105.9805	43.515	2	105.9805	43.515	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:4:3:	3:3:4:	4:3:1:	C[6a]-3:N[6]-3:C-4:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]F)2(BN[6]CC)	C(BC[6a]N[6]C)(CCH)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]F)2(BN[6]CC){1|C<3>,2|F<1>}	C(BC[6a]N[6]C)(CCH)(H)	108.4930	3.924	2	108.4930	15.401	2	108.4930	15.401	2	108.4930	15.401	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:3:4:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-4:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2	C(BC[6a]2C[6])(CCH)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C[6a](BC[6a]C[6]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2C[6])(CCH)(H)	110.9945	2.983	2	110.9945	8.900	2	110.9945	8.900	2	110.9945	8.900	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:B-4:	B-4:S-3:H-1:	B(C[6a]C[6a]2)(CHHS)2(CHS)	C[6a](C[6a]C[6a]H)2(BC3)	C(BC[6a]CC)(SFeC)(H)	B(C[6a]C[6a]2)(CHHS)2(CHS)	C[6a](C[6a]C[6a]H)2(BC3){1|C<3>,2|H<1>}	C(BC[6a]CC)(SFeC)(H)	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	4:3:3:3:	4:3:3:	4:3:1:	C[5]-4:C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C-3:H-1:	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2	C(BC[6a]2C[5])(CCH)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C[6a](BC[6a]C[5]C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C(BC[6a]2C[5])(CCH)(H)	111.6020	3.046	2	111.6020	9.279	2	111.6020	9.279	2	111.6020	9.279	2	110.0210	20.081	224	110.0210	20.081	224
610	643	930	0:SP3_SP2_SP2	B	C[6a]	C	5:3:3:3:	4:3:3:	4:3:1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C-3:H-1:	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C[6a](BC[3x3,4,3x5,14x6]C[6a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	107.7168	1.132	4	107.7168	1.281	4	107.7168	1.281	4	107.7168	1.281	4	110.0210	20.081	224	110.0210	20.081	224
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	N(BC[6a]2H)(CC)	B(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	N(BC[6a]2H)(CC)	108.4377	2.409	4	108.4377	5.805	4	108.4377	5.805	4	108.4377	5.805	4	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:N[6]-3:N-2:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	C[6a](C[6a]C[6a]F)2(BN[6]NN)	N(BC[6a]N[6]N)(NN)	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	C[6a](C[6a]C[6a]F)2(BN[6]NN){1|C<3>,2|F<1>}	N(BC[6a]N[6]N)(NN)	114.1790	1.871	2	114.1790	3.501	2	114.1790	3.501	2	114.1790	3.501	2	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(CCS)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	N(BC[6a]2C)(CC)	B(C[6a]C[6a]2)2(CCS)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	N(BC[6a]2C)(CC)	104.4840	2.877	2	104.4840	8.274	2	104.4840	8.274	2	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N)	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CC)	106.6090	0.564	2	106.6090	0.318	2	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N)	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(CC)	107.5140	0.831	3	107.5140	0.691	3	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CB)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CB)	105.6393	2.448	3	105.6393	5.993	3	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CC)	105.1343	3.180	22	105.1343	10.112	22	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CC[6a])	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CC[6a])	104.8037	1.844	3	104.8037	3.399	3	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CGe[5])	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CGe[5])	106.8890	3.624	3	106.8890	13.133	3	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CIr)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CIr)	107.2377	5.488	3	107.2377	30.123	3	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CN)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CN)	105.9137	2.695	6	105.9137	7.263	6	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CNi)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CNi)	106.0373	2.571	6	106.0373	6.608	6	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(COs)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(COs)	106.8748	3.351	6	106.8748	11.231	6	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CRe)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CRe)	105.2805	7.220	2	105.2805	52.132	2	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CSn)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CSn)	106.9007	2.814	3	106.9007	7.917	3	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	N(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(CC)	105.3050	1.629	3	105.3050	2.654	3	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	N(BC[6a]3)(CFe)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(CFe)	106.9732	0.770	6	106.9732	0.592	6	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	N(BC[6a]3)(CNi)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(CNi)	106.7610	2.430	3	106.7610	5.903	3	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	N(BC[6a]3)(CPd)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(CPd)	106.1150	1.669	6	106.1150	2.786	6	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N)	N(BC[6a]3)(CRu)	B(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(BC[6a]2N){1|C<3>,2|H<1>}	N(BC[6a]3)(CRu)	106.9314	1.904	12	106.9314	3.624	12	106.1364	7.123	92	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:N-2:	B(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(NN)	105.8384	2.337	12	105.8384	5.463	12	105.8384	5.463	12	106.0715	6.883	106	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	4:3:3:	4:2:	C[5]-3:C[6a]-3:C[6a]-3:N-2:	B-4:C[6a]-3:C[6a]-3:	B-4:C-2:	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2	N(BC[6a]2C[5])(CC)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[6a](BC[6a]C[5]N)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	N(BC[6a]2C[5])(CC)	106.1343	1.545	4	106.1343	2.387	4	106.1343	2.387	4	106.1343	2.387	4	106.2847	7.966	118	106.2847	7.966	118
610	643	941	0:SP3_SP2_SP2	B	C[6a]	N	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-2:	B(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	N(BC[6a]2C)(CC)	B(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	N(BC[6a]2C)(CC)	105.6860	5.695	2	105.6860	32.433	2	105.6860	32.433	2	105.6860	32.433	2	106.2847	7.966	118	106.2847	7.966	118
610	643	942	0:SP3_SP-NON_SP2	B	C[6a]	Ga[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga[6]-3:	B-4:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:B-4:	B(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](BC[6a]2Ga[6])(C[6a]C[6a]F)2	Ga[6](N[6]C[6a]C[6])2(BC[6a]3)	B(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](BC[6a]2Ga[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	Ga[6](N[6]C[6a]C[6])2(BC[6a]3){2|C<4>,5|C<3>}	107.7170	3.796	6	107.7170	14.411	6	107.7170	14.411	6	107.7170	14.411	6	107.7170	14.411	6	107.7170	14.411	6
610	643	944	0:SP3_SP-NON_SP2	B	C[6a]	I	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:I-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CCHH)(I)	C[6a](C[6a]C[6a]F)2(BC[6a]CI)	I(BC[6a]2C)	B(C[6a]C[6a]2)2(CCHH)(I)	C[6a](C[6a]C[6a]F)2(BC[6a]CI){1|C<3>,2|F<1>}	I(BC[6a]2C)	106.0850	7.368	2	106.0850	54.288	2	106.0850	54.288	2	106.0850	54.288	2	106.0850	54.288	2	106.0850	54.288	2
610	643	945	0:SP3_SP2_SP3	B	C[6a]	P	3:3:3:3:	4:3:3:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:P-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6]-4:C[6]-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2	P(BC[6a]2N[6])(C[6]C[6]2H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6a](BC[6a]N[6]P)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	P(BC[6a]2N[6])(C[6]C[6]2H)2	112.8225	4.315	2	112.8225	18.623	2	112.8225	18.623	2	112.8225	18.623	2	112.8225	18.623	2	112.8225	18.623	2
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(Cl)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H)	H(BC[6a]Cl2)	B(C[6a]C[6a]2)(Cl)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H){1|C<3>,2|C<4>,3|H<1>}	H(BC[6a]Cl2)	116.9780	0.000	1	116.9780	0.000	1	116.9780	0.000	1	116.9780	0.000	1	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]ClH)	H(BC[6a]2Cl)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]ClH){1|C<3>,2|F<1>}	H(BC[6a]2Cl)	110.4550	0.000	1	110.4550	0.000	1	110.5795	10.781	4	110.2486	8.305	20	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	H(BC[6a]2Cl)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,2|H<1>}	H(BC[6a]2Cl)	115.0460	0.000	1	110.6210	16.160	3	110.5795	10.781	4	110.2486	8.305	20	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	H(BC[6a]2Cl)	B(C[6a]C[6a]2)2(Cl)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,3|H<1>}	H(BC[6a]2Cl)	108.4085	1.718	2	110.6210	16.160	3	110.5795	10.781	4	110.2486	8.305	20	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(BC[6a]HH)	H(BC[6a]2H)	B(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(BC[6a]HH){1|C<3>,2|H<1>}	H(BC[6a]2H)	107.9177	1.733	8	107.9177	3.004	8	107.9177	3.004	8	110.2486	8.305	20	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BN[6]HH)	H(BC[6a]N[6]H)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BN[6]HH){2|H<1>,3|C<3>}	H(BC[6a]N[6]H)	112.1940	2.168	2	112.1940	4.700	2	111.8805	3.053	6	110.2486	8.305	20	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(BN[6]HH)	H(BC[6a]N[6]H)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(BN[6]HH){1|C<3>,2|H<1>}	H(BC[6a]N[6]H)	111.7237	1.850	4	111.7237	3.423	4	111.8805	3.053	6	110.2486	8.305	20	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]F)2(BHHS)	H(BC[6a]HS)	B(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]F)2(BHHS){1|C<3>,2|F<1>}	H(BC[6a]HS)	114.0145	0.954	2	114.0145	0.910	2	114.0145	0.910	2	110.2486	8.305	20	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-2:H-1:	C[6a,6a]-3:C[6,6a]-3:B-4:	B-4:	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH)	H(BC[6a]C[5]C)	B(C[6a]C[6a,6a]C[6,6a])(C[5]N[5]2)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH){2|C<4>,3|C<3>,3|H<1>}	H(BC[6a]C[5]C)	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	109.8390	2.577	27	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(BC[5]CH)	H(BC[6a]C[5]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(BC[5]CH){1|C<3>,2|H<1>}	H(BC[6a]C[5]C)	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.8390	2.577	27	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	H(BC[6a]2N)	B(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	H(BC[6a]2N)	109.2000	1.101	4	109.2000	1.213	4	109.2000	1.213	4	109.8390	2.577	27	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)2(BC[6a]HO)	H(BC[6a]2O)	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)2(BC[6a]HO){1|C<3>,2|H<1>}	H(BC[6a]2O)	109.9155	3.441	2	109.9155	11.844	2	109.7274	2.439	20	109.8390	2.577	27	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	H(BC[6a]2O)	B(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	H(BC[6a]2O)	109.3823	1.084	10	109.3823	1.174	10	109.7274	2.439	20	109.8390	2.577	27	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(ON[6])(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	H(BC[6a]2O)	B(C[6a]C[6a]2)2(ON[6])(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	H(BC[6a]2O)	110.3865	2.866	2	110.3865	8.213	2	109.7274	2.439	20	109.8390	2.577	27	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO)	H(BC[6a]2O)	B(C[6a]C[6a]2)2(OP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HO){1|C<3>,2|F<1>}	H(BC[6a]2O)	110.0202	1.617	6	110.0202	2.613	6	109.7274	2.439	20	109.8390	2.577	27	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6a](C[6a]C[6a]F)2(BN[6]HO)	H(BC[6a]N[6]O)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6a](C[6a]C[6a]F)2(BN[6]HO){1|C<3>,2|F<1>}	H(BC[6a]N[6]O)	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	109.8390	2.577	27	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	107.3325	1.238	2	107.3325	1.533	2	107.4446	7.003	20	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	108.3390	1.810	2	108.3390	3.277	2	107.4446	7.003	20	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CCP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CCP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	106.7460	2.284	2	106.7460	5.216	2	107.4446	7.003	20	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	107.0915	0.879	2	107.0915	0.773	2	107.4446	7.003	20	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	106.5905	2.474	10	106.5905	6.119	10	107.4446	7.003	20	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CHO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CHO)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	111.9840	3.980	2	111.9840	15.837	2	107.4446	7.003	20	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H)	H(BC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H){1|H<1>,3|C<3>}	H(BC[6a]3)	105.4120	0.000	1	105.4120	0.000	1	105.4120	0.000	1	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H)	H(BC[6a]3)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	H(BC[6a]3)	109.7316	2.536	7	109.7316	6.431	7	109.7316	6.431	7	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	H(BC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	H(BC[6a]3)	106.5910	8.054	2	106.5910	64.866	2	106.5362	4.523	213	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	H(BC[6a]3)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	H(BC[6a]3)	106.9018	1.917	14	106.9018	3.677	14	106.5362	4.523	213	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2H)	H(BC[6a]3)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2H){1|H<1>,4|C<3>}	H(BC[6a]3)	108.2115	0.486	2	108.2115	0.236	2	106.5362	4.523	213	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	H(BC[6a]3)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,1|F<1>,1|F<2>}	H(BC[6a]3)	104.8880	0.000	1	106.3397	3.896	175	106.5362	4.523	213	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H)	H(BC[6a]3)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(BC[6a]2H){1|C<3>,2|F<1>}	H(BC[6a]3)	106.3480	1.977	174	106.3397	3.896	175	106.5362	4.523	213	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2H)	H(BC[6a]3)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(BC[6a]2H){1|C<3>,2|H<1>}	H(BC[6a]3)	107.7650	2.570	19	107.7650	6.606	19	106.5362	4.523	213	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H)	H(BC[6a]3)	B(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<3>,2|C<4>,3|H<1>}	H(BC[6a]3)	109.0130	0.000	1	109.0130	0.000	1	106.5362	4.523	213	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	H(BC[6a]2N)	B(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	H(BC[6a]2N)	109.5070	2.321	4	109.5070	5.389	4	108.6509	4.145	8	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	H(BC[6a]2N)	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	H(BC[6a]2N)	108.9270	0.341	2	108.9270	0.116	2	108.6509	4.145	8	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	H(BC[6a]2N)	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	H(BC[6a]2N)	106.6625	1.319	2	106.6625	1.739	2	108.6509	4.145	8	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a,6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BN[5a]2H)	H(BC[6a]N[5a]2)	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BN[5a]2H){2|H<1>,3|C<3>}	H(BC[6a]N[5a]2)	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(BN[5a]2H)	H(BC[6a]N[5a]2)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(BN[5a]2H){1|C<3>,2|H<1>}	H(BC[6a]N[5a]2)	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	106.7911	5.192	251	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	H(BC[6a]2C[5])	B(C[6a]C[6a]2)2(C[5]N[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2C[5])	103.7837	0.270	4	103.7837	0.073	4	105.1143	5.220	6	107.1205	10.604	13	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	H(BC[6a]2C[5])	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2C[5])	107.7755	2.153	2	107.7755	4.636	2	105.1143	5.220	6	107.1205	10.604	13	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2	H(BC[6a]2C[6])	B(C[6a]C[6a]2)2(C[6]N[6]2)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2C[6])	105.7140	0.000	1	105.7140	0.000	1	105.7140	0.000	1	107.1205	10.604	13	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(BC[6a]2N[6])	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(BC[6a]2N[6])	110.2223	3.105	4	110.2223	9.643	4	110.2223	9.643	4	107.1205	10.604	13	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[5]H)(C[6a]C[6a]F)2	H(BC[6a]2N[5])	B(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2N[5])	107.6385	2.659	2	107.6385	7.073	2	107.6385	7.073	2	107.1205	10.604	13	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BC[5]CH)	H(BC[6a]C[5]C)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BC[5]CH){1|C<3>,2|F<1>}	H(BC[6a]C[5]C)	103.9630	0.000	1	103.9630	0.000	1	103.9630	0.000	1	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	108.1030	0.327	2	108.1030	0.107	2	106.6552	7.237	18	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	107.2187	2.036	12	107.2187	4.147	12	106.6552	7.237	18	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CCHP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CCHP)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	101.3997	3.106	2	101.3997	9.648	2	106.6552	7.237	18	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH)	H(BC[6a]2C)	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]CH){1|C<3>,2|F<1>}	H(BC[6a]2C)	107.0825	2.012	2	107.0825	4.047	2	106.6552	7.237	18	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	H(BC[6a]2N)	B(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	H(BC[6a]2N)	109.8280	0.243	2	109.8280	0.059	2	108.5498	3.580	4	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(NLiHH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	H(BC[6a]2N)	B(C[6a]C[6a]2)2(NLiHH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	H(BC[6a]2N)	107.2715	2.036	2	107.2715	4.144	2	108.5498	3.580	4	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	H(BC[6a]2P)	B(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	H(BC[6a]2P)	110.2610	1.317	4	110.2610	1.734	4	110.2058	5.675	10	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(PC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	H(BC[6a]2P)	B(C[6a]C[6a]2)2(PC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	H(BC[6a]2P)	107.8325	0.135	2	107.8325	0.018	2	110.2058	5.675	10	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(PC[6a]2H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	H(BC[6a]2P)	B(C[6a]C[6a]2)2(PC[6a]2H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	H(BC[6a]2P)	112.2245	1.264	2	112.2245	1.597	2	110.2058	5.675	10	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP)	H(BC[6a]2P)	B(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HP){1|C<3>,2|F<1>}	H(BC[6a]2P)	110.4500	4.971	2	110.4500	24.710	2	110.2058	5.675	10	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BN[6]CH)	H(BC[6a]N[6]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BN[6]CH){1|C<3>,2|F<1>}	H(BC[6a]N[6]C)	109.3150	0.000	1	109.3150	0.000	1	109.3150	0.000	1	107.9214	8.639	34	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	H(BC[6a]2C[5])	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2C[5])	105.7073	4.130	4	105.7073	17.056	4	105.7073	17.056	4	106.2662	6.309	10	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2	H(BC[6a]2C[6])	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2C[6])	106.6388	0.841	6	106.6388	0.707	6	106.6388	0.707	6	106.2662	6.309	10	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(BHHN)	H(BC[6a]HN)	B(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(BHHN){1|C<3>,2|F<1>}	H(BC[6a]HN)	109.2860	0.013	2	109.2860	0.000	2	109.2860	0.000	2	110.9440	5.527	4	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]F)2(BHHP)	H(BC[6a]HP)	B(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]F)2(BHHP){1|C<3>,2|F<1>}	H(BC[6a]HP)	112.6020	2.363	2	112.6020	5.584	2	112.6020	5.584	2	110.9440	5.527	4	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(C[6a]C[6a]2)(PC[6a]2C)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BCHP)	H(BC[6a]CP)	B(C[6a]C[6a]2)(PC[6a]2C)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(BCHP){1|C<3>,2|F<1>}	H(BC[6a]CP)	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(BP[5]HH)	H(BC[6a]P[5]H)	B(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(BP[5]HH){1|C<3>,2|F<1>}	H(BC[6a]P[5]H)	111.3230	0.321	2	111.3230	0.103	2	111.3230	0.103	2	111.3230	0.103	2	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	4:3:3:1:	3:3:4:	4:	B-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(BC[5]BH)	H(BC[6a]C[5]B)	B(BC[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(BC[5]BH){1|C<3>,2|H<1>}	H(BC[6a]C[5]B)	105.2015	0.139	2	105.2015	0.019	2	105.2015	0.019	2	105.2015	0.019	2	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](BC[5,6]C[6a]H)(C[6a]C[6a]F)2	H(BC[5,6]C[6a]2)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](BC[5,6]C[6a]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[5,6]C[6a]2)	105.4660	0.093	2	105.4660	0.009	2	105.4660	0.009	2	106.9986	5.397	16	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	H(BC[6a]2C[5])	B(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2C[5])	106.8375	0.046	2	106.8375	0.002	2	107.0618	8.541	8	106.9986	5.397	16	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	H(BC[6a]2C[5])	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2C[5])	108.8500	1.706	2	108.8500	2.909	2	107.0618	8.541	8	106.9986	5.397	16	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2	H(BC[6a]2C[5])	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[5]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2C[5])	106.2798	3.997	4	106.2798	15.977	4	107.0618	8.541	8	106.9986	5.397	16	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]H)2	H(BC[6a]2C[6])	B(C[6]C[6]2Ru)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(BC[6a]2C[6])	106.6900	3.489	2	106.6900	12.172	2	106.6900	12.172	2	106.9986	5.397	16	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	4:3:3:1:	4:3:3:	4:	N[6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2	H(BC[6a]2N[6])	B(N[6]C[6,6a]2H)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]N[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2N[6])	107.9525	0.168	2	107.9525	0.028	2	107.9525	0.028	2	106.9986	5.397	16	107.3874	7.148	381	107.3874	7.148	381
610	643	951	0:SP3_SP-NON_SP2	B	C[6a]	H	4:3:3:1:	4:3:3:	4:	P[6]-4:C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C[6a]-3:	B-4:	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2	H(BC[6a]2P[6])	B(P[6]C[6a]C[6]2)(C[6a]C[6a]2)2(H)	C[6a](BC[6a]P[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(BC[6a]2P[6])	107.6330	1.188	2	107.6330	1.411	2	107.6330	1.411	2	106.9986	5.397	16	107.3874	7.148	381	107.3874	7.148	381
610	643	955	0:SP3_SP2_SP3	B	C[6a]	P[5]	3:3:3:4:	4:3:3:	2:2:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:P[5]-4:	B-4:C[6a]-3:C[6a]-3:	O[5]-2:O[5]-2:B-4:C-4:	B(C[6a]C[6a]2)3(P[5]O[5]2C)	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2	P[5](O[5]C[5,6a])2(BC[6a]3)(CC3)	B(C[6a]C[6a]2)3(P[5]O[5]2C)	C[6a](BC[6a]2P[5])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	P[5](O[5]C[5,6a])2(BC[6a]3)(CC3){2|C<3>}	106.8337	3.872	3	106.8337	14.995	3	106.8337	14.995	3	106.8337	14.995	3	106.8852	10.007	4	106.8852	10.007	4
610	643	955	0:SP3_SP2_SP3	B	C[6a]	P[5]	4:3:1:1:	3:3:4:	3:4:4:4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[5]-4:C[5]-4:B-4:	B(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(BP[5]HH)	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(BC[6a]HH)	B(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(BP[5]HH){1|C<3>,2|F<1>}	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(BC[6a]HH){1|S<3>,2|C<4>,2|H<1>,3|C<3>}	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	106.8852	10.007	4	106.8852	10.007	4
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:B-4:H-1:	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]ClN)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]ClN){1|C<3>,2|F<1>}	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	110.7257	3.437	6	110.7257	11.811	6	110.7257	11.811	6	110.7975	10.086	8	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:B-4:H-1:	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	N(C[6]C[6]N[6])(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	N(C[6]C[6]N[6])(BC[6a]2H)(H)	111.0130	3.380	2	111.0130	11.424	2	111.0130	11.424	2	110.7975	10.086	8	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:1:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	109.8700	1.755	2	109.8700	3.080	2	109.8700	3.080	2	109.8700	3.080	2	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:H-1:	B(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN)	N(BC[6a]2H)(CC[6]H)(H)	B(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]F)2(BC[6a]HN){1|C<3>,2|F<1>}	N(BC[6a]2H)(CC[6]H)(H)	109.0285	2.575	4	109.0285	6.629	4	109.0285	6.629	4	109.0285	6.629	4	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	3:4:3:	C[6a]-3:C-3:N-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(BCNO)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(BCNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	111.0100	0.549	2	111.0100	0.301	2	111.0100	0.301	2	111.0100	0.301	2	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:S-4:	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]NO)	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]F)2(BC[6a]NO){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	111.7100	3.865	2	111.7100	14.939	2	111.7100	14.939	2	111.7100	14.939	2	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:2:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-3:	B(C[6a]C[6a]2)2(NCC)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN)	N(BC[6a]2C)(CCCH)(CHN)	B(C[6a]C[6a]2)2(NCC)(CC)	C[6a](C[6a]C[6a]F)2(BC[6a]CN){1|C<3>,2|F<1>}	N(BC[6a]2C)(CCCH)(CHN)	111.0075	0.914	2	111.0075	0.836	2	111.0075	0.836	2	111.0075	0.836	2	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6]-3:B-4:H-1:	B(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(C[6]C[6]N[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(C[6]C[6]N[6])(BC[6a]3)(H)	108.1032	3.335	9	108.1032	11.123	9	108.1032	11.123	9	108.1032	11.123	9	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	107.5140	2.052	3	107.5140	4.210	3	108.5527	14.531	6	108.5527	14.531	6	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:B-4:C-3:	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	109.5913	5.374	3	109.5913	28.880	3	108.5527	14.531	6	108.5527	14.531	6	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:C-3:N-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C[6a]-3:C-3:	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(BN[6]CN)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(BN[6]CN){1|C<3>,2|H<1>}	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	111.0950	0.000	1	111.0950	0.000	1	111.0950	0.000	1	111.0950	0.000	1	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-3:C-4:	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CC[6a]H)(CCHH)	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CC[6a]H)(CCHH)	107.7833	5.707	3	107.7833	32.571	3	107.7833	32.571	3	107.7833	32.571	3	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C-4:B-4:C-3:	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	108.9707	7.171	3	108.9707	51.416	3	108.5702	31.215	6	108.5702	31.215	6	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C-4:B-4:C-3:	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	108.1697	5.113	3	108.1697	26.139	3	108.5702	31.215	6	108.5702	31.215	6	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:4:3:3:	3:4:3:	4:3:3:	C[6a]-3:C[6]-4:C[6a]-3:N-3:	C[6,6a]-3:B-4:C[6a]-3:	B-4:C[6a]-3:C-3:	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6,6a]C[6,6a]S[6])(BC[6a]C[6]N)(C[6a]C[6a]H)	N(BC[6a]2C[6])(C[6a]C[6a]2)(CFeRh)	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6,6a]C[6,6a]S[6])(BC[6a]C[6]N)(C[6a]C[6a]H){1|Rh<6>,2|C<3>,2|C<4>}	N(BC[6a]2C[6])(C[6a]C[6a]2)(CFeRh)	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP2	B	C[6a]	N	3:4:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6]-4:C[6a]-3:N-3:	B-4:C[6a]-3:C[6a]-3:	B-4:C[6a]-3:C-3:	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](BC[6a]C[6]N)(C[6a]C[6a]H)2	N(BC[6a]2C[6])(C[6a]C[6a]2)(CFeRh)	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](BC[6a]C[6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(BC[6a]2C[6])(C[6a]C[6a]2)(CFeRh)	105.6330	0.000	1	105.6330	0.000	1	105.6330	0.000	1	105.6330	0.000	1	109.3213	12.804	47	109.3213	12.804	47
610	643	956	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	B-4:B-4:H-1:	B(C[6a]C[6a]2)3(NBH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(NBH)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)2(H)	109.2040	3.087	6	109.2040	9.532	6	109.2040	9.532	6	109.0538	10.106	12	109.2058	11.242	21	109.2058	11.242	21
610	643	956	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	B-4:N-4:H-1:	B(C[6a]C[6a]2)3(NHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(NFeHH)(H)	B(C[6a]C[6a]2)3(NHN)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(NFeHH)(H)	108.9037	3.556	6	108.9037	12.647	6	108.9037	12.647	6	109.0538	10.106	12	109.2058	11.242	21	109.2058	11.242	21
610	643	956	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	B-4:C-4:C-4:	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(BC[6a]3)(CCHH)2	B(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(BC[6a]3)(CCHH)2	108.4600	2.598	6	108.4600	6.747	6	108.4600	6.747	6	109.4083	14.128	9	109.2058	11.242	21	109.2058	11.242	21
610	643	956	0:SP3_SP2_SP3	B	C[6a]	N	3:3:3:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	Ge[5]-4:B-4:Si-4:	B(C[6a]C[6a]2)3(NGe[5]Si)	C[6a](C[6a]C[6a]F)2(BC[6a]2N)	N(Ge[5]N[5]2O)(BC[6a]3)(SiC3)	B(C[6a]C[6a]2)3(NGe[5]Si)	C[6a](C[6a]C[6a]F)2(BC[6a]2N){1|C<3>,2|F<1>}	N(Ge[5]N[5]2O)(BC[6a]3)(SiC3)	111.3050	5.617	3	111.3050	31.550	3	111.3050	31.550	3	109.4083	14.128	9	109.2058	11.242	21	109.2058	11.242	21