892	490	956	0:SP3_SP2_SP3	N	C	N	4:3:1:1:	4:1:1:1:	3:4:1:	C-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	C-3:N-4:H-1:	N(CH3)(NCH)(H)2	C(NHHN)(H)3	N(CC[6]O)(NCHH)(H)	N(CH3)(NCH)(H)2	C(NHHN)(H)3	N(CC[6]O)(NCHH)(H)	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	110.1280	7.540	11	110.1280	7.540	11
892	490	956	0:SP3_SP2_SP3	N	C	N	4:3:1:1:	4:1:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:	N(CH3)(NHH)(H)2	C(NHHN)(H)3	N(NCHH)(H)2	N(CH3)(NHH)(H)2	C(NHHN)(H)3	N(NCHH)(H)2	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	110.1280	7.540	11	110.1280	7.540	11
892	490	956	0:SP3_SP2_SP3	N	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	N-4:H-1:H-1:H-1:	C-3:N-4:H-1:	N(CH3)3(NCH)	C(NCCN)(H)3	N(CC[6]O)(NC3)(H)	N(CH3)3(NCH)	C(NCCN)(H)3	N(CC[6]O)(NC3)(H)	109.2389	2.069	9	109.2389	4.282	9	109.2389	4.282	9	109.2389	4.282	9	110.1280	7.540	11	110.1280	7.540	11
892	490	956	0:SP3_SP3_SP3	N	C	N	3:4:4:1:	4:1:1:1:	4:4:1:	N-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6]-4:N-4:H-1:	N(NC[6]H)(CH3)2(H)	C(NCHN)(H)3	N(C[6]C[6]2H)(NCCH)(H)	N(NC[6]H)(CH3)2(H)	C(NCHN)(H)3	N(C[6]C[6]2H)(NCCH)(H)	111.2975	5.916	2	111.2975	35.003	2	111.2975	35.003	2	111.2975	35.003	2	110.9092	13.191	59	110.9092	13.191	59
892	490	956	0:SP3_SP3_SP3	N	C	N	4:3:1:1:	4:1:1:1:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:	N(CH3)(NHH)(H)2	C(NHHN)(H)3	N(NCHH)(H)2	N(CH3)(NHH)(H)2	C(NHHN)(H)3	N(NCHH)(H)2	112.9529	2.376	22	112.9529	5.645	22	112.9529	5.645	22	112.9529	5.645	22	110.9092	13.191	59	110.9092	13.191	59
892	490	956	0:SP3_SP3_SP3	N	C	N	4:3:1:1:	4:4:4:4:	3:4:1:	C-4:N-3:H-1:H-1:	C-4:N-4:C-4:C-4:	C-3:N-4:H-1:	N(CC3)(NCH)(H)2	C(CCHH)(NHHN)(CH3)2	N(CC[6a]O)(NCHH)(H)	N(CC3)(NCH)(H)2	C(CCHH)(NHHN)(CH3)2	N(CC[6a]O)(NCHH)(H)	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	110.9092	13.191	59	110.9092	13.191	59
892	490	956	0:SP3_SP3_SP3	N	C	N	4:3:1:1:	4:4:4:4:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:H-1:H-1:	N(CC3)(NHH)(H)2	C(NHHN)(CH3)3	N(NCHH)(H)2	N(CC3)(NHH)(H)2	C(NHHN)(CH3)3	N(NCHH)(H)2	119.5360	0.000	1	119.5360	0.000	1	119.5360	0.000	1	119.5360	0.000	1	110.9092	13.191	59	110.9092	13.191	59
892	490	956	0:SP3_SP3_SP3	N	C	N	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:C-4:N-3:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:	N(CH3)2(NHH)(H)	C(NCHN)(H)3	N(NCCH)(H)2	N(CH3)2(NHH)(H)	C(NCHN)(H)3	N(NCCH)(H)2	110.4978	2.588	10	110.4978	6.695	10	110.4978	6.695	10	110.4978	6.695	10	110.9092	13.191	59	110.9092	13.191	59
892	490	956	0:SP3_SP3_SP3	N	C	N	4:4:3:1:	4:1:1:1:	4:4:1:	C-4:C-4:N-3:H-1:	N-4:H-1:H-1:H-1:	P-4:N-4:H-1:	N(CH3)2(NHP)(H)	C(NCHN)(H)3	N(PC[6a]2Ru)(NCCH)(H)	N(CH3)2(NHP)(H)	C(NCHN)(H)3	N(PC[6a]2Ru)(NCCH)(H)	110.8600	3.814	2	110.8600	14.548	2	110.8600	14.548	2	110.8600	14.548	2	110.9092	13.191	59	110.9092	13.191	59
892	490	956	0:SP3_SP3_SP3	N	C	N	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:N-3:	N-4:H-1:H-1:H-1:	C-3:N-4:H-1:	N(CH3)3(NCH)	C(NCCN)(H)3	N(CC[6a]O)(NC3)(H)	N(CH3)3(NCH)	C(NCCN)(H)3	N(CC[6a]O)(NC3)(H)	109.3907	2.228	3	109.3907	4.963	3	109.3907	4.963	3	109.3907	4.963	3	110.9092	13.191	59	110.9092	13.191	59
892	490	956	0:SP3_SP3_SP3	N	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	N-4:Cl-1:H-1:H-1:	N-4:H-1:H-1:	N(CClHH)(CH3)2(NHH)	C(NCCN)(Cl)(H)2	N(NC3)(H)2	N(CClHH)(CH3)2(NHH)	C(NCCN)(Cl)(H)2	N(NC3)(H)2	107.6745	5.527	6	107.6745	30.543	6	107.6745	30.543	6	108.1868	12.152	18	110.9092	13.191	59	110.9092	13.191	59
892	490	956	0:SP3_SP3_SP3	N	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:N-3:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:	N(CClHH)(CH3)2(NHH)	C(NCCN)(H)3	N(NC3)(H)2	N(CClHH)(CH3)2(NHH)	C(NCCN)(H)3	N(NC3)(H)2	108.4429	2.164	12	108.4429	4.683	12	108.4429	4.683	12	108.1868	12.152	18	110.9092	13.191	59	110.9092	13.191	59
892	490	983	0:SP3_SP1_SP3	N	C	C	2:4:4:4:	4:1:1:1:	3:4:	C-2:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6a]-3:N-4:	N(CC[6a])(CH3)3	C(NC3)(H)3	C(C[6a]C[6a]2)(NC3)	N(CC[6a])(CH3)3	C(NC3)(H)3	C(C[6a]C[6a]2)(NC3)	109.9468	3.199	6	109.9468	10.237	6	109.9468	10.237	6	109.9468	10.237	6	110.4420	10.024	24	110.4420	10.024	24
892	490	983	0:SP3_SP1_SP3	N	C	C	4:2:1:1:	3:4:1:1:	4:4:	C-4:C-2:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:	N(CC[6a]HH)(CC)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHN)(NCHH)	N(CC[6a]HH)(CC)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHN)(NCHH)	113.1330	0.000	1	113.1330	0.000	1	113.1330	0.000	1	113.1330	0.000	1	110.4420	10.024	24	110.4420	10.024	24
892	490	983	0:SP3_SP1_SP3	N	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-2:	N(CCHH)(CC)(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CN)	N(CCHH)(CC)(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CN)	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	110.4420	10.024	24	110.4420	10.024	24
892	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:2:	4:2:1:1:	4:4:	C-4:C-4:C-2:C-2:	N-4:C-2:H-1:H-1:	C-4:N-4:	N(CCHH)2(CC)2	C(NC3)(CC)(H)2	C(CCHH)(NC3)	N(CCHH)2(CC)2	C(NC3)(CC)(H)2	C(CCHH)(NC3)	111.5380	0.338	2	111.5380	0.114	2	111.5380	0.114	2	111.5380	0.114	2	110.4420	10.024	24	110.4420	10.024	24
892	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:2:	4:4:1:1:	4:4:	C-4:C-4:C-2:C-2:	C-4:N-4:H-1:H-1:	C-4:N-4:	N(CCHH)2(CC)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)	N(CCHH)2(CC)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)	109.8361	2.455	8	109.8361	6.029	8	109.8361	6.029	8	109.8361	6.029	8	110.4420	10.024	24	110.4420	10.024	24
892	490	983	0:SP3_SP1_SP3	N	C	C	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:C-2:	C-4:N-4:H-1:H-1:	C-4:N-4:	N(CCHH)3(CC)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)	N(CCHH)3(CC)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)	109.5947	2.710	3	109.5947	7.343	3	109.4493	7.606	6	109.4493	7.606	6	110.4420	10.024	24	110.4420	10.024	24
892	490	983	0:SP3_SP1_SP3	N	C	C	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:C-2:	C-4:N-4:H-1:H-1:	C-4:N-4:	N(CCHH)3(CC)	C(CH3)(NC3)(H)2	C(CH3)(NC3)	N(CCHH)3(CC)	C(CH3)(NC3)(H)2	C(CH3)(NC3)	109.3040	3.407	3	109.3040	11.609	3	109.4493	7.606	6	109.4493	7.606	6	110.4420	10.024	24	110.4420	10.024	24
892	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:1:1:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaH3)(CH3)(H)2	C(NGaHH)(H)3	Ga(NCHH)(H)3	N(GaH3)(CH3)(H)2	C(NGaHH)(H)3	Ga(NCHH)(H)3	115.6060	0.000	1	115.6060	0.000	1	115.6060	0.000	1	115.6060	0.000	1	112.1552	18.184	19	112.1552	18.184	19
892	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:1:1:	4:4:1:1:	4:1:1:1:	Ga-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:Cl-1:Cl-1:Cl-1:	N(GaCl3)(CCHH)(H)2	C(CN[6,6]HH)(NGaHH)(H)2	Ga(NCHH)(Cl)3	N(GaCl3)(CCHH)(H)2	C(CN[6,6]HH)(NGaHH)(H)2	Ga(NCHH)(Cl)3	117.8780	0.000	1	117.8780	0.000	1	117.8780	0.000	1	117.8780	0.000	1	112.1552	18.184	19	112.1552	18.184	19
892	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:1:1:	4:4:4:4:	4:4:1:1:	Ga-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:N-4:H-1:H-1:	N(GaHHN)(CC3)(H)2	C(NGaHH)(CH3)3	Ga(NCHH)2(H)2	N(GaHHN)(CC3)(H)2	C(NGaHH)(CH3)3	Ga(NCHH)2(H)2	121.1340	1.499	2	121.1340	2.247	2	121.1340	2.247	2	121.1340	2.247	2	112.1552	18.184	19	112.1552	18.184	19
892	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaH3)(CH3)2(H)	C(NGaCH)(H)3	Ga(NCCH)(H)3	N(GaH3)(CH3)2(H)	C(NGaCH)(H)3	Ga(NCCH)(H)3	111.6575	0.744	4	111.6575	0.554	4	111.6575	0.554	4	111.6575	0.554	4	112.1552	18.184	19	112.1552	18.184	19
892	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:4:4:	4:1:1:1:	2:4:1:1:	Ga-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	O-2:N-4:Cl-1:Cl-1:	N(GaCl2O)(CCHH)(CH3)2	C(NGaCC)(H)3	Ga(OC[6a])(NC3)(Cl)2	N(GaCl2O)(CCHH)(CH3)2	C(NGaCC)(H)3	Ga(OC[6a])(NC3)(Cl)2	111.1683	1.073	4	111.1683	1.152	4	111.1683	1.152	4	111.1683	1.152	4	112.1552	18.184	19	112.1552	18.184	19
892	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:4:4:	4:1:1:1:	2:4:3:1:	Ga-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	O-2:N-4:O-3:Cl-1:	N(GaClOO)(CCHH)(CH3)2	C(NGaCC)(H)3	Ga(OC[6a])(NC3)(OCH)(Cl)	N(GaClOO)(CCHH)(CH3)2	C(NGaCC)(H)3	Ga(OC[6a])(NC3)(OCH)(Cl)	111.7320	3.981	2	111.7320	15.848	2	111.7320	15.848	2	111.7320	15.848	2	112.1552	18.184	19	112.1552	18.184	19
892	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaH3)(CH3)3	C(NGaCC)(H)3	Ga(NC3)(H)3	N(GaH3)(CH3)3	C(NGaCC)(H)3	Ga(NC3)(H)3	109.8125	0.008	2	109.8125	0.000	2	109.8125	0.000	2	109.8125	0.000	2	112.1552	18.184	19	112.1552	18.184	19
892	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:4:4:	4:4:1:1:	2:4:1:1:	Ga-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	O-2:N-4:Cl-1:Cl-1:	N(GaCl2O)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	Ga(OC[6a])(NC3)(Cl)2	N(GaCl2O)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	Ga(OC[6a])(NC3)(Cl)2	107.1235	0.008	2	107.1235	0.000	2	107.1235	0.000	2	107.1235	0.000	2	112.1552	18.184	19	112.1552	18.184	19
892	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:4:4:	4:4:1:1:	2:4:3:1:	Ga-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	O-2:N-4:O-3:Cl-1:	N(GaClOO)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	Ga(OC[6a])(NC3)(OCH)(Cl)	N(GaClOO)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	Ga(OC[6a])(NC3)(OCH)(Cl)	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	112.1552	18.184	19	112.1552	18.184	19
892	530	951	0:SP3_SP-NON_SPD6	N	Ga	H	6:1:1:1:	4:3:3:2:2:1:	4:	Ga-6:H-1:H-1:H-1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	N-4:	N(GaClN4)(H)3	Ga(NH3)(NHH)2(NH)2(Cl)	H(NGaHH)	N(GaClN4)(H)3	Ga(NH3)(NHH)2(NH)2(Cl)	H(NGaHH)	114.4140	5.064	2	114.4140	25.647	2	114.4140	25.647	2	114.4140	25.647	2	114.4140	25.647	2	114.4140	25.647	2
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	3:3:3:4:	3:3:3:4:	B-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(BC[6a]3)2(H)2	B(C[6a]C[6a]2)3(NBHH)	B(C[6a]C[6a]2)3(NBHH)	N(BC[6a]3)2(H)2	B(C[6a]C[6a]2)3(NBHH)	B(C[6a]C[6a]2)3(NBHH)	133.6836	1.045	17	133.6836	1.093	17	133.6836	1.093	17	133.6836	1.093	17	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	3:3:3:4:	4:4:1:1:	B-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	P-4:N-4:H-1:H-1:	N(BC[6a]3)(BHHP)(H)2	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	B(PC[6a]3)(NBHH)(H)2	N(BC[6a]3)(BHHP)(H)2	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	B(PC[6a]3)(NBHH)(H)2	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	3:4:1:1:	3:3:3:4:	B-4:B-4:H-1:H-1:	C[5]-3:N-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(BC[5]ClH)(BC[6a]3)(H)2	B(C[5]N[5]2)(NBHH)(Cl)(H)	B(C[6a]C[6a]2)3(NBHH)	N(BC[5]ClH)(BC[6a]3)(H)2	B(C[5]N[5]2)(NBHH)(Cl)(H)	B(C[6a]C[6a]2)3(NBHH)	121.3630	0.000	1	121.3630	0.000	1	121.3630	0.000	1	121.3630	0.000	1	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	3:4:1:1:	4:1:1:1:	B-4:B-4:H-1:H-1:	N[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BN[6]HH)(BH3)(H)2	B(N[6]C[6]2)(NBHH)(H)2	B(NBHH)(H)3	N(BN[6]HH)(BH3)(H)2	B(N[6]C[6]2)(NBHH)(H)2	B(NBHH)(H)3	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	4:1:1:1:	4:4:4:1:	B-4:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:N-4:H-1:	N(BHNN)(BH3)(H)2	B(NBHH)(H)3	B(NBHH)3(H)	N(BHNN)(BH3)(H)2	B(NBHH)(H)3	B(NBHH)3(H)	117.7537	1.246	3	117.7537	1.552	3	117.7537	1.552	3	117.7537	1.552	3	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	4:4:1:1:	4:1:1:1:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(H)2	B(NBHH)(NC3)(H)2	B(NBHH)(H)3	N(BHHN)(BH3)(H)2	B(NBHH)(NC3)(H)2	B(NBHH)(H)3	113.7545	0.538	2	113.7545	0.290	2	116.9353	3.939	19	116.9353	3.939	19	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	4:4:1:1:	4:1:1:1:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(H)2	B(NBHH)(NCCH)(H)2	B(NBHH)(H)3	N(BHHN)(BH3)(H)2	B(NBHH)(NCCH)(H)2	B(NBHH)(H)3	117.5140	0.000	1	117.5140	0.000	1	116.9353	3.939	19	116.9353	3.939	19	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	4:4:1:1:	4:1:1:1:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(H)2	B(NBHH)(NCHH)(H)2	B(NBHH)(H)3	N(BHHN)(BH3)(H)2	B(NBHH)(NCHH)(H)2	B(NBHH)(H)3	114.2970	1.397	3	114.2970	1.950	3	116.9353	3.939	19	116.9353	3.939	19	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	4:4:1:1:	4:1:1:1:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(H)2	B(NBHH)(NH3)(H)2	B(NBHH)(H)3	N(BHHN)(BH3)(H)2	B(NBHH)(NH3)(H)2	B(NBHH)(H)3	117.7300	0.527	3	117.7300	0.278	3	116.9353	3.939	19	116.9353	3.939	19	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	4:4:1:1:	4:1:1:1:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(H)2	B(NBHH)2(H)2	B(NBHH)(H)3	N(BHHN)(BH3)(H)2	B(NBHH)2(H)2	B(NBHH)(H)3	118.0667	1.055	10	118.0667	1.113	10	116.9353	3.939	19	116.9353	3.939	19	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	4:4:1:1:	4:4:1:1:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)2(H)2	B(NBHH)2(H)2	B(NBHH)2(H)2	N(BHHN)2(H)2	B(NBHH)2(H)2	B(NBHH)2(H)2	116.8380	0.143	2	116.8380	0.020	2	116.8380	0.020	2	116.0237	2.000	3	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	4:4:1:1:	4:4:1:1:	B-4:B-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(BHHP)(H)2	B(PC[6a]3)(NBHH)(H)2	B(NBHH)(NH3)(H)2	N(BHHN)(BHHP)(H)2	B(PC[6a]3)(NBHH)(H)2	B(NBHH)(NH3)(H)2	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	116.0237	2.000	3	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:1:	4:4:4:4:	4:1:1:1:	B-4:B-4:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:H-1:H-1:H-1:	N(BC3)(BH3)(H)2	B(CCHH)3(NBHH)	B(NBHH)(H)3	N(BC3)(BH3)(H)2	B(CCHH)3(NBHH)	B(NBHH)(H)3	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:1:	3:4:1:1:	4:1:1:1:	B-4:B-4:C-4:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BC[5]HH)(BH3)(CC3)(H)	B(C[5]N[5]2)(NBCH)(H)2	B(NBCH)(H)3	N(BC[5]HH)(BH3)(CC3)(H)	B(C[5]N[5]2)(NBCH)(H)2	B(NBCH)(H)3	110.2100	0.000	1	110.2100	0.000	1	113.1360	17.123	2	112.2833	10.743	3	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:1:	3:4:1:1:	4:1:1:1:	B-4:B-4:C-4:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BC[5]HH)(BH3)(CH3)(H)	B(C[5]N[5]2)(NBCH)(H)2	B(NBCH)(H)3	N(BC[5]HH)(BH3)(CH3)(H)	B(C[5]N[5]2)(NBCH)(H)2	B(NBCH)(H)3	116.0620	0.000	1	116.0620	0.000	1	113.1360	17.123	2	112.2833	10.743	3	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:1:	3:4:1:1:	4:1:1:1:	B-4:B-4:C-4:H-1:	N[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BN[6]HH)(BH3)(CC3)(H)	B(N[6]C[6]2)(NBCH)(H)2	B(NBCH)(H)3	N(BN[6]HH)(BH3)(CC3)(H)	B(N[6]C[6]2)(NBCH)(H)2	B(NBCH)(H)3	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	112.2833	10.743	3	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3)2(CH3)(H)	B(NBCH)(H)3	B(NBCH)(H)3	N(BH3)2(CH3)(H)	B(NBCH)(H)3	B(NBCH)(H)3	113.8110	0.020	2	113.8110	0.000	2	113.8110	0.000	2	113.8110	0.000	2	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:1:	4:4:1:1:	4:1:1:1:	B-4:B-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(CH3)(H)	B(NBCH)(NCHH)(H)2	B(NBCH)(H)3	N(BHHN)(BH3)(CH3)(H)	B(NBCH)(NCHH)(H)2	B(NBCH)(H)3	112.2805	5.018	2	112.2805	25.184	2	113.4040	16.379	3	113.4040	16.379	3	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:1:	4:4:1:1:	4:1:1:1:	B-4:B-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(CH3)(H)	B(NBCH)2(H)2	B(NBCH)(H)3	N(BHHN)(BH3)(CH3)(H)	B(NBCH)2(H)2	B(NBCH)(H)3	115.6510	0.000	1	115.6510	0.000	1	113.4040	16.379	3	113.4040	16.379	3	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:1:	4:4:1:1:	4:4:1:1:	B-4:B-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)2(CH3)(H)	B(NBCH)(NCHH)(H)2	B(NBCH)2(H)2	N(BHHN)2(CH3)(H)	B(NBCH)(NCHH)(H)2	B(NBCH)2(H)2	112.6920	0.000	1	112.6920	0.000	1	112.6920	0.000	1	112.6920	0.000	1	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:4:	3:4:1:1:	4:1:1:1:	B-4:B-4:C-4:C-4:	N[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BN[6]HH)(BH3)(CH3)2	B(N[6]C[6]2)(NBCC)(H)2	B(NBCC)(H)3	N(BN[6]HH)(BH3)(CH3)2	B(N[6]C[6]2)(NBCC)(H)2	B(NBCC)(H)3	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	B-4:B-4:C-4:C-4:	N-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(CH3)2	B(NBCC)(NCCH)(H)2	B(NBCC)(H)3	N(BHHN)(BH3)(CH3)2	B(NBCC)(NCCH)(H)2	B(NBCC)(H)3	112.7910	0.000	1	112.7910	0.000	1	112.7910	0.000	1	113.0890	0.178	2	121.2581	71.284	58	121.2581	71.284	58
892	610	610	0:SP3_SP3_SP3	N	B	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	B-4:B-4:C-4:C-4:	N-4:P-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHP)(BH3)(CH3)2	B(NBCC)(PC3)(H)2	B(NBCC)(H)3	N(BHHP)(BH3)(CH3)2	B(NBCC)(PC3)(H)2	B(NBCC)(H)3	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	113.0890	0.178	2	121.2581	71.284	58	121.2581	71.284	58
892	610	643	0:SP3_SP2_SP3	N	B	C[6a]	3:4:1:1:	3:3:3:4:	3:3:4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-4:	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]C)(C[6a]C[6a]H)(NBHH)	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]C)(C[6a]C[6a]H)(NBHH){1|C<3>,1|H<1>,1|N<4>}	117.6750	0.219	2	117.6750	0.048	2	118.9454	5.148	5	118.9454	5.148	5	118.6599	3.648	9	118.6599	3.648	9
892	610	643	0:SP3_SP2_SP3	N	B	C[6a]	3:4:1:1:	3:3:3:4:	3:3:4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-4:	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(NBHH)	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(NBHH){1|C<3>,2|H<1>}	119.7923	2.754	3	119.7923	7.582	3	118.9454	5.148	5	118.9454	5.148	5	118.6599	3.648	9	118.6599	3.648	9
892	610	643	0:SP3_SP2_SP3	N	B	C[6a]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6a]-3:B-4:H-1:H-1:	N-4:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(BCl3)(H)2	B(NC[6a]HH)(Cl)3	C[6a](C[6a]C[6a]H)2(NBHH)	N(C[6a]C[6a]2)(BCl3)(H)2	B(NC[6a]HH)(Cl)3	C[6a](C[6a]C[6a]H)2(NBHH){1|C<3>,2|H<1>}	117.7070	0.000	1	117.7070	0.000	1	117.7070	0.000	1	117.0110	0.969	2	118.6599	3.648	9	118.6599	3.648	9
892	610	643	0:SP3_SP2_SP3	N	B	C[6a]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6a]-3:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(BH3)(H)2	B(NC[6a]HH)(H)3	C[6a](C[6a]C[6a]C)2(NBHH)	N(C[6a]C[6a]2)(BH3)(H)2	B(NC[6a]HH)(H)3	C[6a](C[6a]C[6a]C)2(NBHH){1|C<3>,2|H<1>}	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	117.0110	0.969	2	118.6599	3.648	9	118.6599	3.648	9
892	610	643	0:SP3_SP2_SP3	N	B	C[6a]	3:4:4:1:	3:3:3:4:	3:3:4:	C[6a]-3:B-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-4:	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]H)2(NBCH)	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]H)2(NBCH){1|C<3>,2|H<1>}	119.5950	0.180	2	119.5950	0.032	2	119.5950	0.032	2	119.5950	0.032	2	118.6599	3.648	9	118.6599	3.648	9
892	610	811	0:SP3_SP3_SP3	N	B	B[6a]	4:4:1:1:	4:1:1:1:	4:4:4:1:	B[6a]-4:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N[6a]-4:N[6a]-4:N-4:H-1:	N(B[6a]N[6a]2H)(BH3)(H)2	B(NB[6a]HH)(H)3	B[6a](N[6a]B[6a]HH)2(NBHH)(H)	N(B[6a]N[6a]2H)(BH3)(H)2	B(NB[6a]HH)(H)3	B[6a](N[6a]B[6a]HH)2(NBHH)(H){1|N<4>,4|H<1>}	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1
892	610	892	0:SP3_SP3_SP3	N	B	N	4:4:1:1:	3:3:3:4:	4:4:1:1:	B-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	B-4:N-4:H-1:H-1:	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	N(BC[6a]3)(NBHH)(H)2	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	N(BC[6a]3)(NBHH)(H)2	113.7540	0.000	1	113.7540	0.000	1	115.0350	3.282	2	115.0350	3.282	2	115.0350	3.282	2	115.0350	3.282	2
892	610	892	0:SP3_SP3_SP3	N	B	N	4:4:1:1:	3:3:3:4:	4:4:1:1:	B-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	B-4:N-4:H-1:H-1:	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[6a]2)3(NHHN)	N(BC[6a]3)(NBHH)(H)2	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[6a]2)3(NHHN)	N(BC[6a]3)(NBHH)(H)2	116.3160	0.000	1	116.3160	0.000	1	115.0350	3.282	2	115.0350	3.282	2	115.0350	3.282	2	115.0350	3.282	2
892	610	893	0:SP3_SP3_SP3	N	B	O	4:4:2:1:	4:2:1:1:	4:4:	B-4:C-4:O-2:H-1:	N-4:C-2:H-1:H-1:	C-4:N-4:	N(BCHH)(CCHH)(OC)(H)	B(NCHO)(CN)(H)2	O(CC[6a]HH)(NBCH)	N(BCHH)(CCHH)(OC)(H)	B(NCHO)(CN)(H)2	O(CC[6a]HH)(NBCH)	109.9110	0.257	2	109.9110	0.066	2	109.9110	0.066	2	111.5153	5.946	4	112.0248	4.206	6	112.0248	4.206	6
892	610	893	0:SP3_SP3_SP3	N	B	O	4:4:2:1:	4:2:1:1:	4:4:	B-4:C-4:O-2:H-1:	N-4:C-2:H-1:H-1:	N-4:C-4:	N(BCHH)(CCHH)(OC)(H)	B(NCHO)(CN)(H)2	O(NBCH)(CH3)	N(BCHH)(CCHH)(OC)(H)	B(NCHO)(CN)(H)2	O(NBCH)(CH3)	115.0530	0.000	1	115.0530	0.000	1	115.0530	0.000	1	111.5153	5.946	4	112.0248	4.206	6	112.0248	4.206	6
892	610	893	0:SP3_SP3_SP3	N	B	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:B-4:O-2:H-1:	N-4:C-2:H-1:H-1:	C-4:N-4:	N(CC[6]HH)(BCHH)(OC)(H)	B(NCHO)(CN)(H)2	O(CC[6a]HH)(NBCH)	N(CC[6]HH)(BCHH)(OC)(H)	B(NCHO)(CN)(H)2	O(CC[6a]HH)(NBCH)	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.5153	5.946	4	112.0248	4.206	6	112.0248	4.206	6
892	610	893	0:SP3_SP3_SP3	N	B	O	4:4:4:2:	4:1:1:1:	4:4:	B-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	Si-4:N-4:	N(BH3)(CH3)2(OSi)	B(NCCO)(H)3	O(SiCHO)(NBCC)	N(BH3)(CH3)2(OSi)	B(NCCO)(H)3	O(SiCHO)(NBCC)	113.0440	0.279	2	113.0440	0.078	2	113.0440	0.078	2	113.0440	0.078	2	112.0248	4.206	6	112.0248	4.206	6
892	610	941	0:SP3_SP2_SP3	N	B	N	4:2:1:1:	3:3:3:4:	3:4:	B-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C-3:N-4:	N(BC[6a]3)(NC)(H)2	B(C[6a]C[6a]2)3(NHHN)	N(CC[6a]2)(NBHH)	N(BC[6a]3)(NC)(H)2	B(C[6a]C[6a]2)3(NHHN)	N(CC[6a]2)(NBHH)	112.5005	0.763	2	112.5005	0.582	2	112.5005	0.582	2	112.5005	0.582	2	112.5005	0.582	2	112.5005	0.582	2
892	610	951	0:SP3_SP-NON_SP3	N	B	H	3:4:1:1:	3:3:3:4:	4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NC[6a]HH)	H(NC[6a]BH)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NC[6a]HH)	H(NC[6a]BH)	107.7786	3.390	8	107.7786	11.492	8	107.7786	11.492	8	107.7786	11.492	8	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:B-4:H-1:H-1:	N-4:Cl-1:Cl-1:Cl-1:	N-4:	N(C[6a]C[6a]2)(BCl3)(H)2	B(NC[6a]HH)(Cl)3	H(NC[6a]BH)	N(C[6a]C[6a]2)(BCl3)(H)2	B(NC[6a]HH)(Cl)3	H(NC[6a]BH)	107.8700	0.027	2	107.8700	0.001	2	107.8700	0.001	2	108.5412	1.842	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(BH3)(H)2	B(NC[6a]HH)(H)3	H(NC[6a]BH)	N(C[6a]C[6a]2)(BH3)(H)2	B(NC[6a]HH)(H)3	H(NC[6a]BH)	109.2125	1.930	2	109.2125	3.724	2	109.2125	3.724	2	108.5412	1.842	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	3:4:4:1:	3:3:3:4:	4:	C[6a]-3:B-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	B(C[6a]C[6a]2)3(NC[6a]CH)	H(NC[6a]BC)	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	B(C[6a]C[6a]2)3(NC[6a]CH)	H(NC[6a]BC)	102.0790	0.010	2	102.0790	0.000	2	102.0790	0.000	2	102.0790	0.000	2	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	3:3:3:4:	4:	B-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(BC[6a]3)(H)3	B(C[6a]C[6a]2)3(NH3)	H(NBHH)	N(BC[6a]3)(H)3	B(C[6a]C[6a]2)3(NH3)	H(NBHH)	111.5382	2.818	21	111.5382	7.944	21	111.5382	7.944	21	111.5382	7.944	21	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	3:3:4:1:	4:	B-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:	N(BC[6a]2H)(H)3	B(C[6a]C[6a]2)2(NH3)(H)	H(NBHH)	N(BC[6a]2H)(H)3	B(C[6a]C[6a]2)2(NH3)(H)	H(NBHH)	112.2887	2.863	3	112.2887	8.195	3	112.2887	8.195	3	112.2887	8.195	3	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	3:4:1:1:	4:	B-4:H-1:H-1:H-1:	O[5]-3:N-4:H-1:H-1:	N-4:	N(BO[5]HH)(H)3	B(O[5]C[5]2)(NH3)(H)2	H(NBHH)	N(BO[5]HH)(H)3	B(O[5]C[5]2)(NH3)(H)2	H(NBHH)	109.4523	0.039	3	109.4523	0.002	3	109.4523	0.002	3	109.4523	0.002	3	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	4:1:1:1:	4:	B-4:H-1:H-1:H-1:	N-4:Cl-1:H-1:H-1:	N-4:	N(BClHH)(H)3	B(NH3)(Cl)(H)2	H(NBHH)	N(BClHH)(H)3	B(NH3)(Cl)(H)2	H(NBHH)	110.0020	3.318	2	110.0020	11.007	2	110.0020	11.007	2	110.4647	5.396	8	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	4:1:1:1:	4:	B-4:H-1:H-1:H-1:	N-4:F-1:F-1:F-1:	N-4:	N(BF3)(H)3	B(NH3)(F)3	H(NBHH)	N(BF3)(H)3	B(NH3)(F)3	H(NBHH)	111.7540	3.038	3	111.7540	9.229	3	111.7540	9.229	3	110.4647	5.396	8	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	4:1:1:1:	4:	B-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BH3)(H)3	B(NH3)(H)3	H(NBHH)	N(BH3)(H)3	B(NH3)(H)3	H(NBHH)	109.4840	0.034	3	109.4840	0.001	3	109.4840	0.001	3	110.4647	5.396	8	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	4:2:1:1:	4:	B-4:H-1:H-1:H-1:	N-4:O-2:H-1:H-1:	N-4:	N(BHHO)(H)3	B(NH3)(OC)(H)2	H(NBHH)	N(BHHO)(H)3	B(NH3)(OC)(H)2	H(NBHH)	110.1640	4.500	3	110.1640	20.246	3	110.1640	20.246	3	110.1640	20.246	3	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	4:4:1:1:	4:	B-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(BCHH)(H)3	B(CH3)(NH3)(H)2	H(NBHH)	N(BCHH)(H)3	B(CH3)(NH3)(H)2	H(NBHH)	109.4650	0.009	3	109.4650	0.000	3	109.4650	0.000	3	111.1827	5.848	25	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	4:4:1:1:	4:	B-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(H)3	B(NBHH)(NH3)(H)2	H(NBHH)	N(BHHN)(H)3	B(NBHH)(NH3)(H)2	H(NBHH)	113.0418	2.347	12	113.0418	5.507	12	111.4169	6.205	22	111.1827	5.848	25	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	4:4:1:1:	4:	B-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(H)3	B(NC3)(NH3)(H)2	H(NBHH)	N(BHHN)(H)3	B(NC3)(NH3)(H)2	H(NBHH)	109.4990	0.039	3	109.4990	0.002	3	111.4169	6.205	22	111.1827	5.848	25	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:1:1:1:	4:4:1:1:	4:	B-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(H)3	B(NH3)2(H)2	H(NBHH)	N(BHHN)(H)3	B(NH3)2(H)2	H(NBHH)	109.4533	0.033	7	109.4533	0.001	7	111.4169	6.205	22	111.1827	5.848	25	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:2:1:1:	3:3:3:4:	4:	B-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(BC[6a]3)(NC)(H)2	B(C[6a]C[6a]2)3(NHHN)	H(NBHN)	N(BC[6a]3)(NC)(H)2	B(C[6a]C[6a]2)3(NHHN)	H(NBHN)	109.5648	0.491	4	109.5648	0.241	4	109.5648	0.241	4	109.5648	0.241	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:3:1:1:	3:3:3:4:	4:	B-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(BC[6a]3)(NCH)(H)2	B(C[6a]C[6a]2)3(NHHN)	H(NBHN)	N(BC[6a]3)(NCH)(H)2	B(C[6a]C[6a]2)3(NHHN)	H(NBHN)	110.9100	5.090	2	110.9100	25.906	2	110.9100	25.906	2	110.9100	25.906	2	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:3:1:1:	3:3:4:2:	4:	B-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:C-2:	N-4:	N(BC[6a]2C)(NHH)(H)2	B(C[6a]C[6a]2)2(NHHN)(CC)	H(NBHN)	N(BC[6a]2C)(NHH)(H)2	B(C[6a]C[6a]2)2(NHHN)(CC)	H(NBHN)	110.5178	3.260	8	110.5178	10.629	8	110.5178	10.629	8	110.5178	10.629	8	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:3:1:1:	4:1:1:1:	4:	B-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BH3)(NHH)(H)2	B(NHHN)(H)3	H(NBHN)	N(BH3)(NHH)(H)2	B(NHHN)(H)3	H(NBHN)	109.7435	1.580	2	109.7435	2.498	2	109.7435	2.498	2	109.7435	2.498	2	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	2:4:1:1:	4:	B-4:C-4:H-1:H-1:	S-2:N-4:H-1:H-1:	N-4:	N(BHHS)(CH3)(H)2	B(SC[6a])(NCHH)(H)2	H(NBCH)	N(BHHS)(CH3)(H)2	B(SC[6a])(NCHH)(H)2	H(NBCH)	110.5990	0.421	2	110.5990	0.178	2	110.5990	0.178	2	110.5990	0.178	2	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(BC[5]ClH)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NBHH)	H(NBBH)	N(BC[5]ClH)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NBHH)	H(NBBH)	107.0555	2.064	2	107.0555	4.260	2	103.9925	16.683	67	104.5532	16.490	79	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(BC[6a]3)(BHHP)(H)2	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	H(NBBH)	N(BC[6a]3)(BHHP)(H)2	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NBHH)	H(NBBH)	108.4165	0.617	2	108.4165	0.381	2	103.9925	16.683	67	104.5532	16.490	79	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(BC[6a]3)2(H)2	B(C[6a]C[6a]2)3(NBHH)	H(NBBH)	N(BC[6a]3)2(H)2	B(C[6a]C[6a]2)3(NBHH)	H(NBBH)	103.7548	4.086	63	103.7548	16.693	63	103.9925	16.683	67	104.5532	16.490	79	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(BC[6a]3)(CC3)(H)2	B(C[6a]C[6a]2)3(NCHH)	H(NBCH)	N(BC[6a]3)(CC3)(H)2	B(C[6a]C[6a]2)3(NCHH)	H(NBCH)	105.4387	0.275	4	105.4387	0.076	4	105.4387	0.076	4	104.5532	16.490	79	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	H(NBHN)	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(NHHN)	H(NBHN)	108.8020	0.040	2	108.8020	0.002	2	109.6548	2.524	4	104.5532	16.490	79	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[6a]2)3(NHHN)	H(NBHN)	N(BC[6a]3)(NBHH)(H)2	B(C[6a]C[6a]2)3(NHHN)	H(NBHN)	110.5075	2.159	2	110.5075	4.660	2	109.6548	2.524	4	104.5532	16.490	79	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:3:4:	4:	C-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(CC[6a]CH)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NCHH)	H(NBCH)	N(CC[6a]CH)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NCHH)	H(NBCH)	107.2870	0.016	2	107.2870	0.000	2	107.9573	0.906	4	104.5532	16.490	79	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:3:4:	4:	C-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(CC[6a]HH)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NCHH)	H(NBCH)	N(CC[6a]HH)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(NCHH)	H(NBCH)	108.6275	0.960	2	108.6275	0.921	2	107.9573	0.906	4	104.5532	16.490	79	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:O-2:	N-4:	N(BC[6a]2O)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OC)	H(NBCH)	N(BC[6a]2O)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OC)	H(NBCH)	109.2396	2.176	8	109.2396	4.733	8	108.8168	4.619	10	108.8168	4.619	10	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:O-2:	N-4:	N(BC[6a]2O)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OH)	H(NBCH)	N(BC[6a]2O)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OH)	H(NBCH)	107.1255	1.136	2	107.1255	1.291	2	108.8168	4.619	10	108.8168	4.619	10	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:4:1:1:	4:	B-4:B-4:H-1:H-1:	C[5]-3:N-4:Cl-1:H-1:	N-4:	N(BC[5]ClH)(BC[6a]3)(H)2	B(C[5]N[5]2)(NBHH)(Cl)(H)	H(NBBH)	N(BC[5]ClH)(BC[6a]3)(H)2	B(C[5]N[5]2)(NBHH)(Cl)(H)	H(NBBH)	105.7795	1.449	2	105.7795	2.099	2	105.7795	2.099	2	106.7193	4.399	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	3:4:1:1:	4:	B-4:B-4:H-1:H-1:	N[6]-3:N-4:H-1:H-1:	N-4:	N(BN[6]HH)(BH3)(H)2	B(N[6]C[6]2)(NBHH)(H)2	H(NBBH)	N(BN[6]HH)(BH3)(H)2	B(N[6]C[6]2)(NBHH)(H)2	H(NBBH)	107.6590	2.751	2	107.6590	7.566	2	107.6590	7.566	2	106.7193	4.399	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:1:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BC3)(BH3)(H)2	B(NBHH)(H)3	H(NBBH)	N(BC3)(BH3)(H)2	B(NBHH)(H)3	H(NBBH)	106.8395	1.961	2	106.8395	3.845	2	108.0937	2.329	47	108.1438	2.119	53	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:1:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHN)(BH3)(H)2	B(NBHH)(H)3	H(NBBH)	N(BHHN)(BH3)(H)2	B(NBHH)(H)3	H(NBBH)	107.8312	1.403	37	107.8312	1.970	37	108.0937	2.329	47	108.1438	2.119	53	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:1:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHNN)(BH3)(H)2	B(NBHH)(H)3	H(NBBH)	N(BHNN)(BH3)(H)2	B(NBHH)(H)3	H(NBBH)	109.5083	0.991	6	109.5083	0.982	6	108.0937	2.329	47	108.1438	2.119	53	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:1:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BN[6]HH)(BH3)(H)2	B(NBHH)(H)3	H(NBBH)	N(BN[6]HH)(BH3)(H)2	B(NBHH)(H)3	H(NBBH)	109.9600	1.670	2	109.9600	2.790	2	108.0937	2.329	47	108.1438	2.119	53	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BH3)(CH3)(H)2	B(NCHH)(H)3	H(NBCH)	N(BH3)(CH3)(H)2	B(NCHH)(H)3	H(NBCH)	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	108.1438	2.119	53	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:1:1:1:	4:	B[6a]-4:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(B[6a]N[6a]2H)(BH3)(H)2	B(NB[6a]HH)(H)3	H(NB[6a]BH)	N(B[6a]N[6a]2H)(BH3)(H)2	B(NB[6a]HH)(H)3	H(NB[6a]BH)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	108.1438	2.119	53	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:1:1:1:	4:	C-4:B-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCHH)(BH3)(H)2	B(NCHH)(H)3	H(NBCH)	N(CCHH)(BH3)(H)2	B(NCHH)(H)3	H(NBCH)	108.5143	0.248	4	108.5143	0.061	4	108.5143	0.061	4	108.1438	2.119	53	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:B-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(C[3x6]C[6,6]3)(BCHH)(H)2	B(NC[3x6]HH)(COO)(H)2	H(NC[3x6]BH)	N(C[3x6]C[6,6]3)(BCHH)(H)2	B(NC[3x6]HH)(COO)(H)2	H(NC[3x6]BH)	107.3215	0.005	2	107.3215	0.000	2	107.3215	0.000	2	107.3215	0.000	2	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(BH3)(H)2	B(NBHH)(NC3)(H)2	H(NBBH)	N(BHHN)(BH3)(H)2	B(NBHH)(NC3)(H)2	H(NBBH)	111.1830	1.920	4	111.1830	3.686	4	108.8780	3.963	45	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(BH3)(H)2	B(NBHH)(NCCH)(H)2	H(NBBH)	N(BHHN)(BH3)(H)2	B(NBHH)(NCCH)(H)2	H(NBBH)	107.8980	0.027	2	107.8980	0.001	2	108.8780	3.963	45	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(BH3)(H)2	B(NBHH)(NCHH)(H)2	H(NBBH)	N(BHHN)(BH3)(H)2	B(NBHH)(NCHH)(H)2	H(NBBH)	110.2362	0.529	5	110.2362	0.280	5	108.8780	3.963	45	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(BH3)(H)2	B(NBHH)(NH3)(H)2	H(NBBH)	N(BHHN)(BH3)(H)2	B(NBHH)(NH3)(H)2	H(NBBH)	109.3710	2.952	6	109.3710	8.716	6	108.8780	3.963	45	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(BH3)(H)2	B(NBHH)2(H)2	H(NBBH)	N(BHHN)(BH3)(H)2	B(NBHH)2(H)2	H(NBBH)	107.8657	1.383	19	107.8657	1.914	19	108.8780	3.963	45	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(BHHP)(H)2	B(NBHH)(NH3)(H)2	H(NBBH)	N(BHHN)(BHHP)(H)2	B(NBHH)(NH3)(H)2	H(NBBH)	109.4260	2.015	2	109.4260	4.061	2	108.8780	3.963	45	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:B-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)2(H)2	B(NBHH)2(H)2	H(NBBH)	N(BHHN)2(H)2	B(NBHH)2(H)2	H(NBBH)	109.0390	2.081	7	109.0390	4.329	7	108.8780	3.963	45	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:B-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(BC[6a]3)(BHHP)(H)2	B(PC[6a]3)(NBHH)(H)2	H(NBBH)	N(BC[6a]3)(BHHP)(H)2	B(PC[6a]3)(NBHH)(H)2	H(NBBH)	109.8525	0.861	2	109.8525	0.741	2	110.0490	0.340	4	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:B-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(BHHN)(BHHP)(H)2	B(PC[6a]3)(NBHH)(H)2	H(NBBH)	N(BHHN)(BHHP)(H)2	B(PC[6a]3)(NBHH)(H)2	H(NBBH)	110.2455	0.354	2	110.2455	0.126	2	110.0490	0.340	4	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(BCHH)(CH3)(H)2	B(NCHH)(CH3)(H)2	H(NBCH)	N(BCHH)(CH3)(H)2	B(NCHH)(CH3)(H)2	H(NBCH)	108.0820	1.899	2	108.0820	3.607	2	108.0820	3.607	2	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:N-4:Cl-1:Cl-1:	N-4:	N(BCl2N)(CH3)(H)2	B(NCHH)2(Cl)2	H(NBCH)	N(BCl2N)(CH3)(H)2	B(NCHH)2(Cl)2	H(NBCH)	106.8470	1.191	4	106.8470	1.420	4	106.8470	1.420	4	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(CCCH)(H)2	B(NBHH)(NCHH)(H)2	H(NBCH)	N(BHHN)(CCCH)(H)2	B(NBHH)(NCHH)(H)2	H(NBCH)	110.0705	0.496	2	110.0705	0.246	2	109.3889	5.174	19	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(CCHH)(H)2	B(NBHH)(NCHH)(H)2	H(NBCH)	N(BHHN)(CCHH)(H)2	B(NBHH)(NCHH)(H)2	H(NBCH)	109.9665	0.254	2	109.9665	0.064	2	109.3889	5.174	19	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(CH3)(H)2	B(NBCH)(NCHH)(H)2	H(NBCH)	N(BHHN)(CH3)(H)2	B(NBCH)(NCHH)(H)2	H(NBCH)	109.7744	0.889	8	109.7744	0.790	8	109.3889	5.174	19	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(CH3)(H)2	B(NBHH)(NCHH)(H)2	H(NBCH)	N(BHHN)(CH3)(H)2	B(NBHH)(NCHH)(H)2	H(NBCH)	110.5140	0.000	1	110.5140	0.000	1	109.3889	5.174	19	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(CH3)(H)2	B(NCHH)2(H)2	H(NBCH)	N(BHHN)(CH3)(H)2	B(NCHH)2(H)2	H(NBCH)	108.2677	3.891	6	108.2677	15.141	6	109.3889	5.174	19	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(BHHP)(CH3)(H)2	B(PC[6a]3)(NCHH)(H)2	H(NBCH)	N(BHHP)(CH3)(H)2	B(PC[6a]3)(NCHH)(H)2	H(NBCH)	109.3565	0.772	4	109.3565	0.596	4	109.3565	0.596	4	108.9624	3.984	78	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:4:1:	4:	B-4:B-4:H-1:H-1:	N-4:N-4:N-4:H-1:	N-4:	N(BHNN)(BH3)(H)2	B(NBHH)3(H)	H(NBBH)	N(BHNN)(BH3)(H)2	B(NBHH)3(H)	H(NBBH)	107.2528	1.627	6	107.2528	2.647	6	107.2528	2.647	6	107.2528	2.647	6	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:1:	4:4:4:4:	4:	B-4:B-4:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(BC3)(BH3)(H)2	B(CCHH)3(NBHH)	H(NBBH)	N(BC3)(BH3)(H)2	B(CCHH)3(NBHH)	H(NBBH)	107.2245	0.387	2	107.2245	0.150	2	107.2245	0.150	2	107.2245	0.150	2	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:2:1:	4:2:1:1:	4:	B-4:C-4:O-2:H-1:	N-4:C-2:H-1:H-1:	N-4:	N(BCHH)(CCHH)(OC)(H)	B(NCHO)(CN)(H)2	H(NBCO)	N(BCHH)(CCHH)(OC)(H)	B(NCHO)(CN)(H)2	H(NBCO)	108.0873	1.848	3	108.0873	3.414	3	108.0873	3.414	3	107.9098	2.402	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:2:1:	4:2:1:1:	4:	C-4:B-4:O-2:H-1:	N-4:C-2:H-1:H-1:	N-4:	N(CC[6]HH)(BCHH)(OC)(H)	B(NCHO)(CN)(H)2	H(NBCO)	N(CC[6]HH)(BCHH)(OC)(H)	B(NCHO)(CN)(H)2	H(NBCO)	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.9098	2.402	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	2:4:1:1:	4:	B-4:C-4:C-4:H-1:	S-2:N-4:H-1:H-1:	N-4:	N(BHHS)(CCCH)2(H)	B(SC[6a])(NCCH)(H)2	H(NBCC)	N(BHHS)(CCCH)2(H)	B(SC[6a])(NCCH)(H)2	H(NBCC)	104.0687	2.207	3	104.0687	4.869	3	107.2110	11.159	8	107.2110	11.159	8	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	2:4:1:1:	4:	B-4:C-4:C-4:H-1:	S-2:N-4:H-1:H-1:	N-4:	N(BHHS)(CH3)2(H)	B(SC[6a])(NCCH)(H)2	H(NBCC)	N(BHHS)(CH3)2(H)	B(SC[6a])(NCCH)(H)2	H(NBCC)	109.0964	2.290	5	109.0964	5.244	5	107.2110	11.159	8	107.2110	11.159	8	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	3:3:3:4:	4:	C-4:C-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(CC[6a]HH)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NCCH)	H(NBCC)	N(CC[6a]HH)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NCCH)	H(NBCC)	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	3:4:1:1:	4:	B-4:B-4:C-4:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:	N(BC[5]HH)(BH3)(CC3)(H)	B(C[5]N[5]2)(NBCH)(H)2	H(NBBC)	N(BC[5]HH)(BH3)(CC3)(H)	B(C[5]N[5]2)(NBCH)(H)2	H(NBBC)	106.4300	0.000	1	106.4300	0.000	1	107.6425	2.940	2	107.7973	1.733	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	3:4:1:1:	4:	B-4:B-4:C-4:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:	N(BC[5]HH)(BH3)(CH3)(H)	B(C[5]N[5]2)(NBCH)(H)2	H(NBBC)	N(BC[5]HH)(BH3)(CH3)(H)	B(C[5]N[5]2)(NBCH)(H)2	H(NBBC)	108.8550	0.000	1	108.8550	0.000	1	107.6425	2.940	2	107.7973	1.733	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	3:4:1:1:	4:	B-4:B-4:C-4:H-1:	N[6]-3:N-4:H-1:H-1:	N-4:	N(BN[6]HH)(BH3)(CC3)(H)	B(N[6]C[6]2)(NBCH)(H)2	H(NBBC)	N(BN[6]HH)(BH3)(CC3)(H)	B(N[6]C[6]2)(NBCH)(H)2	H(NBBC)	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	107.7973	1.733	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	3:4:1:1:	4:	B-4:C-4:C-4:H-1:	C[6a]-3:N-4:Br-1:Br-1:	N-4:	N(BC[6a]Br2)(CH3)2(H)	B(C[6a]C[6a]2)(NCCH)(Br)2	H(NBCC)	N(BC[6a]Br2)(CH3)2(H)	B(C[6a]C[6a]2)(NCCH)(Br)2	H(NBCC)	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	107.7973	1.733	4	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BC[5]HH)(BH3)(CC3)(H)	B(NBCH)(H)3	H(NBBC)	N(BC[5]HH)(BH3)(CC3)(H)	B(NBCH)(H)3	H(NBBC)	106.5520	0.000	1	106.5520	0.000	1	106.7075	1.479	10	106.9653	1.683	13	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BC[5]HH)(BH3)(CH3)(H)	B(NBCH)(H)3	H(NBBC)	N(BC[5]HH)(BH3)(CH3)(H)	B(NBCH)(H)3	H(NBBC)	107.0350	0.000	1	107.0350	0.000	1	106.7075	1.479	10	106.9653	1.683	13	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BH3)2(CH3)(H)	B(NBCH)(H)3	H(NBBC)	N(BH3)2(CH3)(H)	B(NBCH)(H)3	H(NBBC)	106.4765	2.009	4	106.4765	4.035	4	106.7075	1.479	10	106.9653	1.683	13	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHN)(BH3)(CH3)(H)	B(NBCH)(H)3	H(NBBC)	N(BHHN)(BH3)(CH3)(H)	B(NBCH)(H)3	H(NBBC)	106.6877	0.318	3	106.6877	0.101	3	106.7075	1.479	10	106.9653	1.683	13	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BN[6]HH)(BH3)(CC3)(H)	B(NBCH)(H)3	H(NBBC)	N(BN[6]HH)(BH3)(CC3)(H)	B(NBCH)(H)3	H(NBBC)	107.5190	0.000	1	107.5190	0.000	1	106.7075	1.479	10	106.9653	1.683	13	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:1:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BH3)(CH3)2(H)	B(NCCH)(H)3	H(NBCC)	N(BH3)(CH3)2(H)	B(NCCH)(H)3	H(NBCC)	106.9560	0.000	1	106.9560	0.000	1	106.9560	0.000	1	106.9653	1.683	13	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:1:1:1:	4:	C-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCHH)(BH3)(CC3)(H)	B(NCCH)(H)3	H(NBCC)	N(CCHH)(BH3)(CC3)(H)	B(NCCH)(H)3	H(NBCC)	107.0610	0.000	1	107.0610	0.000	1	107.0610	0.000	1	106.9653	1.683	13	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:B-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6a]HH)2(BH3)(H)	B(NCCH)(H)3	H(NBCC)	N(CC[6a]HH)2(BH3)(H)	B(NCCH)(H)3	H(NBCC)	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	106.9653	1.683	13	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(BH3)(CH3)(H)	B(NBCH)(NCHH)(H)2	H(NBBC)	N(BHHN)(BH3)(CH3)(H)	B(NBCH)(NCHH)(H)2	H(NBBC)	107.9450	1.302	2	107.9450	1.696	2	107.9310	1.563	6	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(BH3)(CH3)(H)	B(NBCH)2(H)2	H(NBBC)	N(BHHN)(BH3)(CH3)(H)	B(NBCH)2(H)2	H(NBBC)	108.6980	0.000	1	108.6980	0.000	1	107.9310	1.563	6	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)2(CH3)(H)	B(NBCH)(NCHH)(H)2	H(NBBC)	N(BHHN)2(CH3)(H)	B(NBCH)(NCHH)(H)2	H(NBBC)	108.2870	0.000	1	108.2870	0.000	1	107.9310	1.563	6	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)2(CH3)(H)	B(NBCH)2(H)2	H(NBBC)	N(BHHN)2(CH3)(H)	B(NBCH)2(H)2	H(NBBC)	108.8950	0.000	1	108.8950	0.000	1	107.9310	1.563	6	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BIrHH)(BHHN)(CH3)(H)	B(NBCH)(NCHH)(H)2	H(NBBC)	N(BIrHH)(BHHN)(CH3)(H)	B(NBCH)(NCHH)(H)2	H(NBBC)	105.8160	0.000	1	105.8160	0.000	1	107.9310	1.563	6	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(BCHH)(CH3)2(H)	B(CHHP)(NCCH)(H)2	H(NBCC)	N(BCHH)(CH3)2(H)	B(CHHP)(NCCH)(H)2	H(NBCC)	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(BCHH)(CCCH)2(H)	B(NCCH)(CH3)(H)2	H(NBCC)	N(BCHH)(CCCH)2(H)	B(NCCH)(CH3)(H)2	H(NBCC)	104.0940	0.000	1	104.0940	0.000	1	104.0940	0.000	1	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(CCCH)2(H)	B(NBCC)(NCCH)(H)2	H(NBCC)	N(BHHN)(CCCH)2(H)	B(NBCC)(NCCH)(H)2	H(NBCC)	103.3900	0.000	1	103.3900	0.000	1	105.2270	6.749	2	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N-4:	N(BHHN)(CH3)2(H)	B(NBHH)(NCCH)(H)2	H(NBCC)	N(BHHN)(CH3)2(H)	B(NBHH)(NCCH)(H)2	H(NBCC)	107.0640	0.000	1	107.0640	0.000	1	105.2270	6.749	2	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(BHHP)(CH3)2(H)	B(PC[6a]2B)(NCCH)(H)2	H(NBCC)	N(BHHP)(CH3)2(H)	B(PC[6a]2B)(NCCH)(H)2	H(NBCC)	108.7450	0.000	1	108.7450	0.000	1	108.4045	0.232	2	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(BHHP)(CH3)2(H)	B(PC[6a]3)(NCCH)(H)2	H(NBCC)	N(BHHP)(CH3)2(H)	B(PC[6a]3)(NCCH)(H)2	H(NBCC)	108.0640	0.000	1	108.0640	0.000	1	108.4045	0.232	2	107.3527	3.856	12	108.0068	11.822	371	108.0068	11.822	371
892	610	956	0:SP3_SP2_SP3	N	B	N	4:3:1:1:	3:3:3:4:	3:4:1:	B-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C-3:N-4:H-1:	N(BC[6a]3)(NCH)(H)2	B(C[6a]C[6a]2)3(NHHN)	N(CC[6a]O)(NBHH)(H)	N(BC[6a]3)(NCH)(H)2	B(C[6a]C[6a]2)3(NHHN)	N(CC[6a]O)(NBHH)(H)	117.0860	0.000	1	117.0860	0.000	1	117.0860	0.000	1	117.0860	0.000	1	117.0860	0.000	1	117.0860	0.000	1
892	610	956	0:SP3_SP3_SP3	N	B	N	4:3:1:1:	3:3:4:2:	4:1:1:	B-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:C-2:	N-4:H-1:H-1:	N(BC[6a]2C)(NHH)(H)2	B(C[6a]C[6a]2)2(NHHN)(CC)	N(NBHH)(H)2	N(BC[6a]2C)(NHH)(H)2	B(C[6a]C[6a]2)2(NHHN)(CC)	N(NBHH)(H)2	115.6317	1.157	4	115.6317	1.338	4	115.6317	1.338	4	115.6317	1.338	4	114.9540	3.300	5	114.9540	3.300	5
892	610	956	0:SP3_SP3_SP3	N	B	N	4:3:1:1:	4:1:1:1:	4:1:1:	B-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:	N(BH3)(NHH)(H)2	B(NHHN)(H)3	N(NBHH)(H)2	N(BH3)(NHH)(H)2	B(NHHN)(H)3	N(NBHH)(H)2	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	114.9540	3.300	5	114.9540	3.300	5
892	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:N[6a]-2:N-4:	N(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH)	N(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH){1|C<3>,2|H<1>}	131.2520	0.000	1	131.2520	0.000	1	131.2520	0.000	1	131.2520	0.000	1	117.7646	59.949	5	117.7646	59.949	5
892	643	643	0:SP3_SP2_SP2	N	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:N-4:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]HH)	N(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]HH){1|C<3>,2|H<1>}	115.9650	1.553	2	115.9650	2.411	2	115.9650	2.411	2	115.9650	2.411	2	117.7646	59.949	5	117.7646	59.949	5
892	643	643	0:SP3_SP2_SP2	N	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:N-4:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(NC[6a]2H)	C[6a](C[6a]C[6a]H)2(NC[6a]2H)	N(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(NC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2H){1|C<3>,2|H<1>}	112.8205	0.329	2	112.8205	0.108	2	112.8205	0.108	2	112.8205	0.108	2	117.7646	59.949	5	117.7646	59.949	5
892	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:N-4:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	C(C[6a]C[6a]2)(NC[6a]HH)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a]HH)(O)	127.7750	0.000	1	127.7750	0.000	1	127.7750	0.000	1	127.7750	0.000	1	117.9860	191.649	2	117.9860	191.649	2
892	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:4:3:	3:3:4:	4:4:3:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-4:	N-4:C-4:C-3:	N(C[6a]C[6a]2)(CH3)2(CCC)	C[6a](C[6a]C[6a]H)2(NC3)	C(NC[6a]CC)(CCHH)(CBH)	N(C[6a]C[6a]2)(CH3)2(CCC)	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	C(NC[6a]CC)(CCHH)(CBH)	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	117.9860	191.649	2	117.9860	191.649	2
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-4:	N-4:	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3)	H(NC[6a]HH)	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]HH)	109.4513	0.040	3	109.4799	0.002	14	109.4799	0.002	14	109.4799	0.002	14	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-4:	N-4:	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3)	H(NC[6a]HH)	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	109.4880	0.014	2	109.4799	0.002	14	109.4799	0.002	14	109.4799	0.002	14	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:N-4:	N-4:	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3)	H(NC[6a]HH)	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3){1|N<2>,2|N<3>}	H(NC[6a]HH)	109.4876	0.044	9	109.4799	0.002	14	109.4799	0.002	14	109.4799	0.002	14	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-4:	N-4:	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	109.5007	0.015	3	109.4993	0.001	6	109.4993	0.001	6	109.4993	0.001	6	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-4:	N-4:	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]HH)	109.4980	0.048	3	109.4993	0.001	6	109.4993	0.001	6	109.4993	0.001	6	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:D-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(D)(H)2	C[6a](C[6a]C[6a]H)2(NDHH)	H(NC[6a]DH)	N(C[6a]C[6a]2)(D)(H)2	C[6a](C[6a]C[6a]H)2(NDHH){1|C<3>,2|H<1>}	H(NC[6a]DH)	106.4390	0.642	2	106.4390	0.412	2	106.4390	0.412	2	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	H(NC[6a]HH)	110.8557	3.247	3	110.8557	10.546	3	110.8557	10.546	3	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3){1|H<1>,1|N<4>,3|C<3>}	H(NC[6a]HH)	109.4914	0.037	5	109.8931	1.814	36	109.8703	1.677	42	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	H(NC[6a]HH)	109.9579	1.444	31	109.8931	1.814	36	109.8703	1.677	42	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(NH3){2|H<1>,3|C<3>}	H(NC[6a]HH)	110.0470	0.754	3	110.0470	0.569	3	109.8703	1.677	42	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH3){1|H<1>,3|C<3>}	H(NC[6a]HH)	109.4190	1.310	3	109.4190	1.716	3	109.8703	1.677	42	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]HH)	109.5237	0.043	3	109.5237	0.002	3	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(NH3){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]HH)	109.4780	0.026	3	109.4780	0.001	3	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]HH)	109.4023	0.028	3	110.5320	3.227	12	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH3){1|H<1>,2|C<3>}	H(NC[6a]HH)	110.9086	1.949	9	110.5320	3.227	12	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]HH)	109.4663	0.024	3	109.4663	0.001	3	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NH3){2|H<1>,3|C<3>}	H(NC[6a]HH)	109.4657	0.028	3	109.4657	0.001	3	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	H(NC[6a]HH)	110.1427	3.101	3	110.1427	9.615	3	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(NH3){2|H<1>,5|C<3>}	H(NC[6a]HH)	111.4142	4.188	6	111.4142	17.543	6	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]HH)	112.3665	0.620	2	110.6320	2.604	5	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	109.4757	0.043	3	110.6320	2.604	5	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	109.4590	0.076	3	109.4590	0.006	3	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]HH)	110.1554	1.492	34	110.2170	4.486	280	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]HH)	109.8747	0.997	20	110.2170	4.486	280	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<4>}	H(NC[6a]HH)	111.2987	3.001	15	110.2170	4.486	280	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]HH)	109.4493	0.041	3	110.2170	4.486	280	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,1|N<3>,1|S<4>}	H(NC[6a]HH)	109.5640	1.831	3	110.2170	4.486	280	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	110.1448	2.122	187	110.2170	4.486	280	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]HH)	110.4377	3.157	12	110.2170	4.486	280	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|H<1>,2|C<3>}	H(NC[6a]HH)	111.5228	2.987	6	110.2170	4.486	280	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	110.2595	1.217	8	110.2595	1.481	8	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	110.2287	1.333	3	110.2287	1.777	3	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|C<4>}	H(NC[6a]HH)	109.4138	0.072	9	110.6890	6.683	113	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	110.7994	2.667	104	110.6890	6.683	113	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NH3){1|Ru<9>,1|C<3>,2|C<4>,2|H<1>}	H(NC[6a]HH)	114.5680	0.023	3	114.5680	0.001	3	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]HH)	110.1996	2.107	11	110.1286	3.868	69	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	109.5807	1.103	32	110.1286	3.868	69	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]HH)	110.7729	2.534	26	110.1286	3.868	69	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	108.8600	1.750	6	108.8600	3.064	6	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)2(NH3){1|C<3>,2|F<1>}	H(NC[6a]HH)	109.8727	3.448	12	109.8727	11.890	12	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	109.4428	0.024	6	109.4428	0.001	6	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]HH)	110.8700	1.801	9	110.4131	5.469	238	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]HH)	110.4802	1.751	6	110.4131	5.469	238	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]HH)	109.8270	1.868	3	110.4131	5.469	238	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	110.4006	2.384	220	110.4131	5.469	238	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]HH)	110.1320	1.848	2	109.8297	4.564	126	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]HH)	109.4527	0.047	3	109.8297	4.564	126	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]HH)	110.7642	1.753	9	109.8297	4.564	126	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	109.8112	2.342	95	109.8297	4.564	126	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]HH)	109.4820	0.031	3	109.8297	4.564	126	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NH3){1|H<1>,2|C<3>}	H(NC[6a]HH)	109.4664	1.118	14	109.8297	4.564	126	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]HH)	112.2308	2.481	6	111.5359	15.960	23	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	111.2906	4.447	17	111.5359	15.960	23	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	H(NC[6a]HH)	111.0252	3.766	9	111.0252	14.183	9	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|B<3>,1|C<3>,1|H<1>}	H(NC[6a]HH)	110.6240	1.587	9	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|B<4>,1|C<3>,1|H<1>}	H(NC[6a]HH)	108.9873	1.415	3	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]HH)	109.4786	0.021	15	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]HH)	109.7295	1.106	78	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]HH)	109.4732	0.058	14	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|I<1>}	H(NC[6a]HH)	109.4667	0.030	3	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]HH)	109.9471	2.642	38	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|N<4>}	H(NC[6a]HH)	111.0536	2.680	44	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]HH)	110.7236	3.402	36	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]HH)	112.8153	2.725	6	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|C<4>}	H(NC[6a]HH)	111.2220	3.460	33	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|H<1>}	H(NC[6a]HH)	110.0825	2.343	1299	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<3>,2|O<2>}	H(NC[6a]HH)	112.6030	3.419	3	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|C<4>,2|C<3>}	H(NC[6a]HH)	109.4535	0.009	2	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]HH)	109.7981	0.888	18	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|H<1>,2|C<3>}	H(NC[6a]HH)	110.4973	2.036	105	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){1|N<3>,2|C<3>}	H(NC[6a]HH)	108.3920	1.705	3	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(NH3){3|C<3>}	H(NC[6a]HH)	109.5933	1.907	15	110.1415	5.442	1724	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(NH3){1|C<3>,1|H<1>,1|N<4>}	H(NC[6a]HH)	110.7393	2.283	6	111.3287	5.227	9	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(NH3){1|C<3>,2|O<2>}	H(NC[6a]HH)	112.5073	2.180	3	111.3287	5.227	9	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>}	H(NC[6a]HH)	109.4140	0.055	3	109.4140	0.003	3	110.2014	5.441	2673	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-4:	N-4:	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3)	H(NC[6a]HH)	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3){1|N<3>,2|O<1>}	H(NC[6a]HH)	109.4850	0.041	4	109.4850	0.002	4	109.4850	0.002	4	110.1932	5.386	2724	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-4:	N-4:	N(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH)	H(NC[6a]2H)	N(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH){1|C<3>,2|H<1>}	H(NC[6a]2H)	104.4553	0.057	3	104.4553	0.003	3	104.4553	0.003	3	104.4553	0.003	3	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]CH)	105.3755	0.063	2	105.3755	0.004	2	105.3755	0.004	2	107.7542	2.569	10	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	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:N-4:	N-4:	N(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]HH)	H(NC[6a]2H)	N(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(NC[6a]HH){1|C<3>,2|H<1>}	H(NC[6a]2H)	108.3489	1.132	8	108.3489	1.282	8	108.3489	1.282	8	107.7542	2.569	10	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	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:N-4:	N-4:	N(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(NC[6a]2H)	H(NC[6a]3)	N(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(NC[6a]2H){1|C<3>,2|H<1>}	H(NC[6a]3)	106.4095	2.730	2	106.4095	7.454	2	106.4095	7.454	2	106.4095	7.454	2	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBHH)	H(NC[6a]BH)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBHH){1|C<3>,1|H<1>,1|N<4>}	H(NC[6a]BH)	106.9320	2.420	4	106.9320	5.857	4	107.4945	2.007	13	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(NBHH)	H(NC[6a]BH)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(NBHH){1|C<3>,2|H<1>}	H(NC[6a]BH)	107.3226	0.666	5	107.3226	0.444	5	107.4945	2.007	13	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(BCl3)(H)2	C[6a](C[6a]C[6a]H)2(NBHH)	H(NC[6a]BH)	N(C[6a]C[6a]2)(BCl3)(H)2	C[6a](C[6a]C[6a]H)2(NBHH){1|C<3>,2|H<1>}	H(NC[6a]BH)	107.8850	0.016	2	107.8850	0.000	2	107.4945	2.007	13	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(BH3)(H)2	C[6a](C[6a]C[6a]C)2(NBHH)	H(NC[6a]BH)	N(C[6a]C[6a]2)(BH3)(H)2	C[6a](C[6a]C[6a]C)2(NBHH){1|C<3>,2|H<1>}	H(NC[6a]BH)	108.6585	0.561	2	108.6585	0.314	2	107.4945	2.007	13	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	H(NC[6a]CH)	108.8972	0.352	4	108.8972	0.124	4	108.6105	4.391	6	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]CH)	108.0370	4.538	2	108.0370	20.595	2	108.6105	4.391	6	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	108.3745	1.621	4	108.3745	2.627	4	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	111.7725	3.490	4	111.7725	12.178	4	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	107.6650	0.045	2	107.6650	0.002	2	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	108.5440	0.021	2	108.5440	0.000	2	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]CH)	106.4193	0.052	4	106.4193	0.003	4	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	108.4757	0.319	6	108.4757	0.101	6	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	108.4795	0.011	2	108.4795	0.000	2	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	113.0560	3.763	4	113.0560	14.157	4	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	107.7880	1.506	2	107.7880	2.268	2	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	107.1255	0.057	2	107.1255	0.003	2	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	111.7605	1.836	6	111.7605	3.370	6	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	108.5190	0.033	2	108.5190	0.001	2	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]CH)	108.9860	0.126	4	109.1950	7.513	45	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]CH)	107.9705	2.741	2	109.1950	7.513	45	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	109.2793	2.900	39	109.1950	7.513	45	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	109.7130	0.508	2	109.7130	0.258	2	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	H(NC[6a]CH)	108.3810	2.009	6	108.3810	4.037	6	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	H(NC[6a]CH)	109.0470	0.648	2	109.0470	0.420	2	109.2393	6.858	95	109.0072	6.429	114	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:N-4:	N-4:	N(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH){1|C<3>,2|C<4>}	H(NC[6a]CC)	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:B-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NBCH)	H(NC[6a]BC)	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NBCH){1|C<3>,2|H<1>}	H(NC[6a]BC)	102.0365	0.057	2	102.0365	0.003	2	102.0365	0.003	2	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]CC)	102.0860	0.000	1	102.0860	0.000	1	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	H(NC[6a]CC)	110.8098	3.978	4	110.8098	15.823	4	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|B<4>,1|H<1>,3|C<3>}	H(NC[6a]CC)	109.9620	0.000	1	104.3580	24.362	3	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]CC)	101.5560	1.271	2	104.3580	24.362	3	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]CC)	110.4493	2.586	3	110.4493	6.688	3	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]CC)	102.4820	0.000	1	102.4820	0.000	1	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]CC)	105.4840	0.000	1	105.4840	0.000	1	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|F<1>,1|H<1>,3|C<3>}	H(NC[6a]CC)	106.6425	0.224	2	103.6107	17.221	62	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(NC[6a]CC)	103.3710	0.140	2	103.6107	17.221	62	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]CC)	102.5356	3.902	47	103.6107	17.221	62	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	H(NC[6a]CC)	105.6855	2.878	4	103.6107	17.221	62	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	H(NC[6a]CC)	108.8453	2.691	7	103.6107	17.221	62	104.2877	20.028	75	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	H(NC[6a]CC)	102.6215	0.578	2	102.6215	0.334	2	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	105.6460	0.000	1	105.6460	0.000	1	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]CC)	106.2990	0.371	2	106.2990	0.137	2	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	106.9490	0.011	2	106.9490	0.000	2	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	105.9400	0.000	1	105.9400	0.000	1	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	107.3474	2.724	8	107.3474	7.420	8	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	106.9710	0.000	1	106.9710	0.000	1	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	104.2050	0.000	2	104.2050	0.000	2	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	H(NC[6a]CC)	109.3760	1.756	2	109.3760	3.085	2	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	106.7720	0.000	1	106.7720	0.000	1	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	105.2697	5.255	3	105.2697	27.614	3	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)2(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)2(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	103.6390	1.484	2	103.6390	2.201	2	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]CC)	104.2030	0.000	1	104.2030	0.000	1	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	108.9665	0.676	4	108.9665	0.457	4	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]CC)	102.1590	0.000	1	107.9319	11.256	24	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	H(NC[6a]CC)	108.1829	3.192	23	107.9319	11.256	24	107.0809	9.432	56	105.4299	17.230	133	109.9150	6.935	3009	109.9150	6.935	3009
892	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[3x6]C[3,5,6,6]C[3,3x6]C[3x6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[3x6]HH)	H(NC[3x6]C[6a]H)	N(C[3x6]C[3,5,6,6]C[3,3x6]C[3x6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NC[3x6]HH){1|C<3>,2|H<1>}	H(NC[3x6]C[6a]H)	106.9760	0.014	2	106.9760	0.000	2	106.9760	0.000	2	106.9760	0.000	2	109.9150	6.935	3009	109.9150	6.935	3009
892	670	951	0:SP3_SP-NON_SP2	N	Ge	H	3:1:1:1:	2:2:4:	4:	Ge-3:H-1:H-1:H-1:	O-2:O-2:N-4:	N-4:	N(GeOO)(H)3	Ge(OC[6a])2(NH3)	H(NGeHH)	N(GeOO)(H)3	Ge(OC[6a])2(NH3)	H(NGeHH)	109.4990	0.036	3	109.4990	0.001	3	109.4990	0.001	3	109.4990	0.001	3	109.4990	0.001	3	109.4990	0.001	3
892	679	951	0:SP3_SP-NON_SP3	N	B[5a]	H	4:4:4:1:	4:2:2:4:	4:	B[5a]-4:C-4:C-4:H-1:	B[5a]-4:S[5a]-2:S[5a]-2:N-4:	N-4:	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH)	H(NB[5a]CC)	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH){2|C<3>,2|S<2>}	H(NB[5a]CC)	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1
892	727	951	0:SP3_SP-NON_SP2	N	C[5a]	H	3:1:1:1:	2:2:4:	4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:N-4:	N-4:	N(C[5a]N[5a]S[5a])(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH3)	H(NC[5a]HH)	N(C[5a]N[5a]S[5a])(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH3){2|H<1>}	H(NC[5a]HH)	109.4884	0.067	5	109.4884	0.004	5	109.4884	0.004	5	109.4884	0.004	5	110.0910	2.484	26	110.0910	2.484	26
892	727	951	0:SP3_SP-NON_SP2	N	C[5a]	H	3:1:1:1:	3:3:4:	4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-4:	N-4:	N(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NH3)	H(NC[5a]HH)	N(C[5a]C[5a]2)(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NH3){1|H<1>}	H(NC[5a]HH)	110.6030	2.350	3	110.6030	5.524	3	110.5490	3.901	15	110.2344	2.992	21	110.0910	2.484	26	110.0910	2.484	26
892	727	951	0:SP3_SP-NON_SP2	N	C[5a]	H	3:1:1:1:	3:3:4:	4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-4:	N-4:	N(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3)	H(NC[5a]HH)	N(C[5a]C[5a]2)(H)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3){1|C<3>,1|C<4>}	H(NC[5a]HH)	110.5355	1.990	12	110.5355	3.960	12	110.5490	3.901	15	110.2344	2.992	21	110.0910	2.484	26	110.0910	2.484	26
892	727	951	0:SP3_SP-NON_SP2	N	C[5a]	H	3:1:1:1:	3:3:4:	4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-4:	N-4:	N(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(NH3)	H(NC[5a]HH)	N(C[5a]C[5a]N[5a])(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(NH3){2|C<3>}	H(NC[5a]HH)	109.4480	0.058	6	109.4480	0.003	6	109.4480	0.003	6	110.2344	2.992	21	110.0910	2.484	26	110.0910	2.484	26
892	762	899	0:SP3_SP-NON_SP2	N	C[6]	C	3:1:1:1:	2:2:4:	4:	C[6]-3:C-1:C-1:C-1:	C[6]-2:C[6]-2:N-4:	N-4:	N(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(NC3)	C(NC[6]CC)	N(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(NC3){1|C<2>}	C(NC[6]CC)	110.3533	1.065	3	110.3533	1.135	3	110.3533	1.135	3	110.3533	1.135	3	110.3533	1.135	3	110.3533	1.135	3
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	2:3:4:	4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:N-4:	N-4:	N(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3)	H(NC[6]HH)	N(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]HH)	109.4420	0.030	3	109.4420	0.001	3	109.4420	0.001	3	109.4420	0.001	3	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:O[6]-2:N-4:	N-4:	N(C[6]C[6,6a]O[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3)	H(NC[6]HH)	N(C[6]C[6,6a]O[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	H(NC[6]HH)	109.4613	0.028	3	109.4613	0.001	3	109.4613	0.001	3	108.5018	68.905	27	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(NH3){1|C<3>,1|C<4>}	H(NC[6]HH)	109.4390	0.022	3	109.4390	0.000	3	108.2891	89.128	21	108.5018	68.905	27	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(NH3){1|C<3>,1|H<1>}	H(NC[6]HH)	114.9940	7.854	3	111.0860	43.352	6	108.2891	89.128	21	108.5018	68.905	27	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(NH3){1|C<3>,2|H<1>}	H(NC[6]HH)	107.1780	0.940	3	111.0860	43.352	6	108.2891	89.128	21	108.5018	68.905	27	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(NH3){1|C<2>}	H(NC[6]HH)	106.6033	11.602	12	106.6033	134.617	12	108.2891	89.128	21	108.5018	68.905	27	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:2:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-4:	N-4:	N(C[6]N[6]2)(H)3	C[6](N[6]C[6]Re)(N[6]C[6])(NH3)	H(NC[6]HH)	N(C[6]N[6]2)(H)3	C[6](N[6]C[6]Re)(N[6]C[6])(NH3){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]HH)	109.0310	1.489	3	109.0310	2.216	3	109.0310	2.216	3	108.5018	68.905	27	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NH3){1|C<3>}	H(NC[6]HH)	112.3743	3.227	3	112.3743	10.416	3	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NH3){1|C<3>,1|H<1>}	H(NC[6]HH)	107.5087	0.914	3	107.5087	0.835	3	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3){1|C<3>,2|H<1>}	H(NC[6]HH)	111.9110	0.960	3	111.9110	0.922	3	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(NH3){1|C<3>,2|H<1>}	H(NC[6]HH)	110.5138	1.977	12	110.5138	3.909	12	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3){1|C<3>,2|H<1>}	H(NC[6]HH)	110.0473	1.808	12	110.0473	3.270	12	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(NH3){1|C<2>,1|H<1>,1|O<2>}	H(NC[6]HH)	110.1443	1.961	3	111.0517	4.696	9	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(NH3){1|C<3>,3|H<1>}	H(NC[6]HH)	109.4777	0.066	3	111.0517	4.696	9	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)2(NH3){1|H<1>,2|C<3>}	H(NC[6]HH)	113.5330	0.866	3	111.0517	4.696	9	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3){1|C<3>,2|H<1>}	H(NC[6]HH)	109.9348	2.840	15	109.9348	8.065	15	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3){1|C<3>,2|H<1>}	H(NC[6]HH)	109.4707	0.011	3	109.4707	0.000	3	110.3169	5.225	60	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-4:	N-4:	N(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3)	H(NC[6]HH)	N(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3){1|N<3>,2|N<4>}	H(NC[6]HH)	109.4810	0.026	3	109.4810	0.001	3	109.4810	0.001	3	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	3:3:4:	4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:N-4:	N-4:	N(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)2(NH3)	H(NC[6]HH)	N(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)2(NH3){1|C<3>,2|N<4>}	H(NC[6]HH)	109.4660	0.008	2	109.4660	0.000	2	109.4660	0.000	2	110.2521	4.868	65	109.7210	22.289	98	109.7210	22.289	98
892	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:1:	4:4:4:	4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-4:	N-4:	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3){1|C<4>,4|H<1>}	H(NC[6]HH)	109.4637	0.042	3	109.4637	0.002	3	109.4637	0.002	3	109.4637	0.002	3	109.7210	22.289	98	109.7210	22.289	98
892	778	951	0:SP3_SP-NON_SPD5	N	C[3x3,3x5,12x6]	H	5:4:1:1:	6:6:6:6:4:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	B[5x3,4x5,13x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:N-4:	N-4:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	C[3x3,3x5,12x6](B[5x3,4x5,13x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[4x3,3x5,6,6]B[5x3,5,6])(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(NCHH)	H(NC[3x3,3x5,12x6]CH)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	C[3x3,3x5,12x6](B[5x3,4x5,13x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[4x3,3x5,6,6]B[5x3,5,6])(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(NCHH){1|B<5>,4|B<6>,6|H<1>}	H(NC[3x3,3x5,12x6]CH)	108.0765	3.218	2	108.0765	10.356	2	108.0765	10.356	2	108.0765	10.356	2	107.0893	8.101	3	107.0893	8.101	3
892	778	951	0:SP3_SP-NON_SPD5	N	C[3x3,3x5,12x6]	H	5:4:4:1:	6:6:6:6:4:	4:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:N-4:	N-4:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)2(NCCH)	H(NC[3x3,3x5,12x6]CC)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)2(NCCH){1|B<6>,5|H<1>}	H(NC[3x3,3x5,12x6]CC)	105.1150	0.000	1	105.1150	0.000	1	105.1150	0.000	1	105.1150	0.000	1	107.0893	8.101	3	107.0893	8.101	3
892	786	951	0:SP3_SP-NON_SP3	N	B[5]	H	4:1:1:1:	3:4:3:4:	4:	B[5]-4:H-1:H-1:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:N-4:	N-4:	N(B[5]C[5,6a]C[6a]P[5])(H)3	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3)	H(NB[5]HH)	N(B[5]C[5,6a]C[6a]P[5])(H)3	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3){1|H<1>,2|C<4>,9|C<3>}	H(NB[5]HH)	104.2516	9.848	3	104.2516	96.979	3	104.2516	96.979	3	104.2516	96.979	3	105.8408	53.225	5	105.8408	53.225	5
892	786	951	0:SP3_SP-NON_SP3	N	B[5]	H	4:4:1:1:	2:2:4:1:	4:	B[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:N-4:H-1:	N-4:	N(B[5]O[5]2H)(CCHH)(H)2	B[5](O[5]C[5])2(NCHH)(H)	H(NB[5]CH)	N(B[5]O[5]2H)(CCHH)(H)2	B[5](O[5]C[5])2(NCHH)(H){4|C<4>}	H(NB[5]CH)	108.2245	0.026	2	108.2245	0.001	2	108.2245	0.001	2	108.2245	0.001	2	105.8408	53.225	5	105.8408	53.225	5
892	811	951	0:SP3_SP-NON_SP3	N	B[6a]	H	4:4:1:1:	3:2:2:4:	4:	B[6a]-4:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	N-4:	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	H(NB[6a]CH)	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	H(NB[6a]CH)	108.2298	2.149	6	108.2298	4.620	6	108.2298	4.620	6	108.2298	4.620	6	108.0772	3.380	8	108.0772	3.380	8
892	811	951	0:SP3_SP-NON_SP3	N	B[6a]	H	4:4:1:1:	4:4:4:1:	4:	B[6a]-4:B-4:H-1:H-1:	N[6a]-4:N[6a]-4:N-4:H-1:	N-4:	N(B[6a]N[6a]2H)(BH3)(H)2	B[6a](N[6a]B[6a]HH)2(NBHH)(H)	H(NB[6a]BH)	N(B[6a]N[6a]2H)(BH3)(H)2	B[6a](N[6a]B[6a]HH)2(NBHH)(H){1|N<4>,4|H<1>}	H(NB[6a]BH)	107.6195	0.012	2	107.6195	0.000	2	107.6195	0.000	2	107.6195	0.000	2	108.0772	3.380	8	108.0772	3.380	8
892	818	951	0:SP3_SP-NON_SP2	N	C[5]	H	3:1:1:1:	3:2:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-4:	N-4:	N(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ni)(N[5]C[5])(NH3)	H(NC[5]HH)	N(C[5]N[5]2)(H)3	C[5](N[5]N[5]Ni)(N[5]C[5])(NH3){1|Ni<6>,1|S<2>}	H(NC[5]HH)	109.4833	0.052	7	109.4833	0.003	7	109.4833	0.003	7	109.4833	0.003	7	110.3234	8.532	17	110.3234	8.532	17
892	818	951	0:SP3_SP-NON_SP2	N	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-4:	N-4:	N(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(NH3)	H(NC[5]HH)	N(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(NH3){2|C<2>}	H(NC[5]HH)	114.7410	5.682	3	114.7410	32.281	3	111.4450	16.673	8	111.4450	16.673	8	110.3234	8.532	17	110.3234	8.532	17
892	818	951	0:SP3_SP-NON_SP2	N	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-4:	N-4:	N(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]O[5]O)(NH3)	H(NC[5]HH)	N(C[5]C[5]2)(H)3	C[5](C[5]C[5]O)(C[5]O[5]O)(NH3){1|C<4>,1|H<1>}	H(NC[5]HH)	109.4674	0.020	5	109.4674	0.000	5	111.4450	16.673	8	111.4450	16.673	8	110.3234	8.532	17	110.3234	8.532	17
892	818	951	0:SP3_SP-NON_SP2	N	C[5]	H	3:4:1:1:	3:3:4:	4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:N[5]-3:N-4:	N-4:	N(C[5]N[5]2)(NNiHH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(NHHN)	H(NC[5]HN)	N(C[5]N[5]2)(NNiHH)(H)2	C[5](N[5]N[5]Ni)(N[5]C[5]N)(NHHN){1|Ni<6>,1|H<1>}	H(NC[5]HN)	108.7775	0.011	2	108.7775	0.000	2	108.7775	0.000	2	108.7775	0.000	2	110.3234	8.532	17	110.3234	8.532	17
892	846	846	0:SP3_SP2_SP2	N	C[4,4]	C[4,4]	3:3:3:3:	3:3:4:	3:3:4:	C[4,4]-3:C[4,4]-3:C[4,4]-3:C[4,4]-3:	C[3x4]-3:C[3x4]-3:N-4:	C[3x4]-3:C[3x4]-3:N-4:	N(C[4,4]C[3x4]2)4	C[4,4](C[3x4]C[4,4]O[4,4])2(NC[4,4]3)	C[4,4](C[3x4]C[4,4]O[4,4])2(NC[4,4]3)	N(C[4,4]C[3x4]2)4	C[4,4](C[3x4]C[4,4]O[4,4])2(NC[4,4]3)	C[4,4](C[3x4]C[4,4]O[4,4])2(NC[4,4]3)	108.5305	4.086	2	108.5305	16.698	2	108.5305	16.698	2	108.5305	16.698	2	108.5305	16.698	2	108.5305	16.698	2
892	856	951	0:SP3_SP-NON_SP3	N	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-4:	N-4:	N(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(NH3)	H(NN[6]HH)	N(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(NH3){1|N<4>,4|H<1>}	H(NN[6]HH)	109.4640	0.007	2	109.4640	0.000	2	109.4640	0.000	2	109.4640	0.000	2	109.4640	0.000	2	109.4640	0.000	2
892	863	863	0:SP3_SP2_SP2	N	O	O	1:1:1:1:	4:	4:	O-1:O-1:O-1:O-1:	N-4:	N-4:	N(O)4	O(NO3)	O(NO3)	N(O)4	O(NO3)	O(NO3)	109.1830	7.188	2	109.1830	51.674	2	109.1830	51.674	2	109.1830	51.674	2	103.5658	137.013	5	103.5658	137.013	5
892	863	863	0:SP3_SP2_SP2	N	O	O	4:1:1:1:	4:	4:	C-4:O-1:O-1:O-1:	N-4:	N-4:	N(CCHH)(O)3	O(NCOO)	O(NCOO)	N(CCHH)(O)3	O(NCOO)	O(NCOO)	99.8210	13.986	3	99.8210	195.600	3	99.8210	195.600	3	99.8210	195.600	3	103.5658	137.013	5	103.5658	137.013	5
892	863	951	0:SP3_SP-NON_SP2	N	O	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:O-1:	N-4:	N-4:	N(H)3(O)	O(NH3)	H(NHHO)	N(H)3(O)	O(NH3)	H(NHHO)	109.7166	1.789	14	109.7166	3.200	14	109.7166	3.200	14	109.7166	3.200	14	109.7166	3.200	14	109.7166	3.200	14
892	874	892	0:SP3_SP3_SP3	N	B[6,6]	N	4:4:1:1:	4:4:4:4:	4:4:1:1:	B[6,6]-4:N-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:N-4:H-1:H-1:	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	117.6875	0.295	4	117.6875	0.087	4	117.6875	0.087	4	117.6875	0.087	4	117.6875	0.087	4	117.6875	0.087	4
892	874	893	0:SP3_SP3_SP3	N	B[6,6]	O	4:2:1:1:	4:4:4:4:	4:1:	B[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	N-4:H-1:	N(B[6,6]C[6,6]2C)(OH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO)	O(NB[6,6]HH)(H)	N(B[6,6]C[6,6]2C)(OH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO){2|C<4>,8|H<1>}	O(NB[6,6]HH)(H)	113.8280	0.000	1	113.8280	0.000	1	113.8280	0.000	1	113.8280	0.000	1	113.8280	0.000	1	113.8280	0.000	1
892	874	951	0:SP3_SP-NON_SP3	N	B[3x6]	H	4:4:1:1:	4:4:4:4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	N-4:	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH)	H(NB[3x6]C[3x6]H)	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH){2|H<1>,4|C<4>}	H(NB[3x6]C[3x6]H)	105.4875	0.021	2	105.4875	0.000	2	105.4875	0.000	2	105.4875	0.000	2	105.4875	0.000	2	108.2997	6.878	29
892	874	951	0:SP3_SP-NON_SP3	N	B[6,6]	H	4:1:1:1:	4:4:4:4:	4:	B[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	N-4:	N(B[6,6]C[6,6]2C)(H)3	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3)	H(NB[6,6]HH)	N(B[6,6]C[6,6]2C)(H)3	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3){2|C<4>,8|H<1>}	H(NB[6,6]HH)	109.4563	0.016	6	109.4563	0.000	6	109.4563	0.000	6	109.4563	0.000	6	108.5972	6.801	26	108.2997	6.878	29
892	874	951	0:SP3_SP-NON_SP3	N	B[6,6]	H	4:2:1:1:	4:4:4:4:	4:	B[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	N-4:	N(B[6,6]C[6,6]2C)(OH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO)	H(NB[6,6]HO)	N(B[6,6]C[6,6]2C)(OH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO){2|C<4>,8|H<1>}	H(NB[6,6]HO)	108.7700	0.016	2	108.7700	0.000	2	108.7700	0.000	2	108.7700	0.000	2	108.5972	6.801	26	108.2997	6.878	29
892	874	951	0:SP3_SP-NON_SP3	N	B[6,6]	H	4:3:1:1:	4:4:4:4:	4:	B[6,6]-4:N-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	N-4:	N(B[6,6]C[6,6]2C)(NHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	H(NB[6,6]HN)	N(B[6,6]C[6,6]2C)(NHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	H(NB[6,6]HN)	109.7601	1.899	7	109.7601	3.605	7	109.7601	3.605	7	109.7601	3.605	7	108.5972	6.801	26	108.2997	6.878	29
892	874	951	0:SP3_SP-NON_SP3	N	B[6,6]	H	4:4:1:1:	4:4:4:4:	4:	B[6,6]-4:N-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	N-4:	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	H(NB[6,6]HN)	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	H(NB[6,6]HN)	107.8880	0.055	4	107.8880	0.003	4	109.3019	4.419	7	109.3019	4.419	7	108.5972	6.801	26	108.2997	6.878	29
892	874	951	0:SP3_SP-NON_SP3	N	B[6,6]	H	4:4:1:1:	4:4:4:4:	4:	B[6,6]-4:N-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	N-4:	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	H(NB[6,6]HN)	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	H(NB[6,6]HN)	111.1870	1.981	3	111.1870	3.925	3	109.3019	4.419	7	109.3019	4.419	7	108.5972	6.801	26	108.2997	6.878	29
892	874	951	0:SP3_SP-NON_SP3	N	B[6,6]	H	4:4:4:1:	4:3:4:4:	4:	B[6,6]-4:C-4:C-4:H-1:	C[3x6]-4:B[6,6]-3:N-4:N-4:	N-4:	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2	H(NB[6,6]CC)	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2{1|H<1>,4|C<3>}	H(NB[6,6]CC)	104.1435	3.111	2	104.1435	9.676	2	104.1435	9.676	2	104.1435	9.676	2	108.5972	6.801	26	108.2997	6.878	29
892	874	951	0:SP3_SP-NON_SP3	N	B[6,6]	H	4:4:4:1:	4:4:4:1:	4:	B[6,6]-4:C-4:C-4:H-1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	N-4:	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	H(NB[6,6]CC)	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	H(NB[6,6]CC)	103.7635	2.891	2	103.7635	8.360	2	103.7635	8.360	2	103.7635	8.360	2	108.5972	6.801	26	108.2997	6.878	29
892	874	951	0:SP3_SP-NON_SP3	N	B[6]	H	4:4:4:1:	2:2:4:4:	4:	B[6]-4:C-4:C-4:H-1:	O[6]-2:O[6]-2:B[6]-4:N-4:	N-4:	N(B[6]B[6]O[6]2)(CH3)2(H)	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH)	H(NB[6]CC)	N(B[6]B[6]O[6]2)(CH3)2(H)	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH){5|C<3>}	H(NB[6]CC)	106.1890	0.000	1	106.1890	0.000	1	106.1890	0.000	1	106.1890	0.000	1	106.1890	0.000	1	108.2997	6.878	29
892	874	956	0:SP3_SP3_SP3	N	B[6,6]	N	4:3:1:1:	4:4:4:4:	4:1:1:	B[6,6]-4:N-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	N-4:H-1:H-1:	N(B[6,6]C[6,6]2C)(NHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	N(NB[6,6]HH)(H)2	N(B[6,6]C[6,6]2C)(NHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	N(NB[6,6]HH)(H)2	115.1920	1.594	4	115.1920	2.542	4	115.1920	2.542	4	115.1920	2.542	4	115.1920	2.542	4	115.1920	2.542	4
892	876	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:1:	4:	C-4:H-2:H-1:H-1:	N-4:H-1:	N-4:	N(CC[6a]HH)(HH)(H)2	H(NCHH)(H)	H(NCHH)	N(CC[6a]HH)(HH)(H)2	H(NCHH)(H)	H(NCHH)	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1
892	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si-4:Si-4:Si-4:Si-4:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N(SiCCH)(SiC3)3	Si(NSi3)(CH3)2(H)	Si(NSi3)(CH3)3	N(SiCCH)(SiC3)3	Si(NSi3)(CH3)2(H)	Si(NSi3)(CH3)3	108.7463	2.457	3	108.7463	6.035	3	108.7463	6.035	3	108.7463	6.035	3	110.7197	15.454	7	110.7197	15.454	7
892	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si-4:Si-4:C-4:C-4:	N-4:C-4:C-4:C-4:	N-4:C-4:C-4:C-4:	N(SiC3)2(CH3)2	Si(NSiCC)(CH3)3	Si(NSiCC)(CH3)3	N(SiC3)2(CH3)2	Si(NSiCC)(CH3)3	Si(NSiCC)(CH3)3	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	112.1997	20.070	4	110.7197	15.454	7	110.7197	15.454	7
892	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si-4:Si-4:Si-4:Si-4:	N-4:C-4:C-4:C-4:	N-4:C-4:C-4:C-4:	N(SiCCH)(SiC3)3	Si(NSi3)(CH3)3	Si(NSi3)(CH3)3	N(SiCCH)(SiC3)3	Si(NSi3)(CH3)3	Si(NSi3)(CH3)3	110.1433	2.175	3	110.1433	4.732	3	110.1433	4.732	3	112.1997	20.070	4	110.7197	15.454	7	110.7197	15.454	7
892	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:4:4:1:	4:4:3:3:	4:	Si-4:C-4:C-4:H-1:	C[5]-4:N-4:N-3:N-3:	N-4:	N(SiC[5]NN)(CH3)2(H)	Si(C[5]C[5]2Fe)(NCCH)(NCC)2	H(NSiCC)	N(SiC[5]NN)(CH3)2(H)	Si(C[5]C[5]2Fe)(NCCH)(NCC)2	H(NSiCC)	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1
892	887	951	0:SP3_SP-NON_SP3	N	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:O-1:	N-4:	N(CC[5]CH)(SCO)(H)2	S(NCHH)(CC3)(O)	H(NCHS)	N(CC[5]CH)(SCO)(H)2	S(NCHH)(CC3)(O)	H(NCHS)	108.0485	0.142	2	108.0485	0.020	2	108.0485	0.020	2	108.0485	0.020	2	108.0485	0.020	2	108.0485	0.020	2
892	892	951	0:SP3_SP-NON_SP3	N	N	H	4:1:1:1:	4:1:1:1:	4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(NH3)(H)3	N(NH3)(H)3	H(NHHN)	N(NH3)(H)3	N(NH3)(H)3	H(NHHN)	108.3007	3.041	25	108.3007	9.245	25	108.3007	9.245	25	108.3007	9.245	25	108.0420	6.594	45	108.0420	6.594	45
892	892	951	0:SP3_SP-NON_SP3	N	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(NCHH)(H)3	N(CCHH)(NH3)(H)2	H(NHHN)	N(NCHH)(H)3	N(CCHH)(NH3)(H)2	H(NHHN)	108.7677	1.389	3	108.7677	1.928	3	108.7677	1.928	3	108.7677	1.928	3	108.0420	6.594	45	108.0420	6.594	45
892	892	951	0:SP3_SP-NON_SP3	N	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCHH)(NH3)(H)2	N(NCHH)(H)3	H(NCHN)	N(CCHH)(NH3)(H)2	N(NCHH)(H)3	H(NCHN)	106.7035	1.105	2	106.7035	1.221	2	106.7035	1.221	2	106.7035	1.221	2	108.0420	6.594	45	108.0420	6.594	45
892	892	951	0:SP3_SP-NON_SP3	N	N	H	4:4:1:1:	4:4:1:1:	4:	B-4:N-4:H-1:H-1:	B-4:N-4:H-1:H-1:	N-4:	N(BC[6a]3)(NBHH)(H)2	N(BC[6a]3)(NBHH)(H)2	H(NBHN)	N(BC[6a]3)(NBHH)(H)2	N(BC[6a]3)(NBHH)(H)2	H(NBHN)	106.8937	2.322	4	106.8937	5.393	4	106.8937	5.393	4	108.0756	2.501	13	108.0420	6.594	45	108.0420	6.594	45
892	892	951	0:SP3_SP-NON_SP3	N	N	H	4:4:1:1:	4:4:1:1:	4:	B[6,6]-4:N-4:H-1:H-1:	B[6,6]-4:N-4:H-1:H-1:	N-4:	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	H(NB[6,6]HN)	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	H(NB[6,6]HN)	107.8904	0.079	5	107.8904	0.006	5	107.8904	0.006	5	108.0756	2.501	13	108.0420	6.594	45	108.0420	6.594	45
892	892	951	0:SP3_SP-NON_SP3	N	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CLiCH)(NCHH)(H)2	N(CLiCH)(NCHH)(H)2	H(NCHN)	N(CLiCH)(NCHH)(H)2	N(CLiCH)(NCHH)(H)2	H(NCHN)	109.4890	0.144	4	109.4890	0.021	4	109.4890	0.021	4	108.0756	2.501	13	108.0420	6.594	45	108.0420	6.594	45
892	892	951	0:SP3_SP-NON_SP3	N	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(NCCH)(CH3)2(H)	N(NCCH)(CH3)2(H)	H(NCCN)	N(NCCH)(CH3)2(H)	N(NCCH)(CH3)2(H)	H(NCCN)	104.8400	2.408	2	104.8400	5.800	2	104.8400	5.800	2	104.8400	5.800	2	108.0420	6.594	45	108.0420	6.594	45
892	893	951	0:SP3_SP-NON_SP3	N	O	H	2:1:1:1:	4:1:	4:	O-2:H-1:H-1:H-1:	N-4:H-1:	N-4:	N(OH)(H)3	O(NH3)(H)	H(NHHO)	N(OH)(H)3	O(NH3)(H)	H(NHHO)	109.1120	2.718	188	109.1120	7.386	188	109.1120	7.386	188	109.1120	7.386	188	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:N-4:	N-4:	N(OC)(H)3	O(CC[6a]HH)(NH3)	H(NHHO)	N(OC)(H)3	O(CC[6a]HH)(NH3)	H(NHHO)	106.9013	2.885	3	106.9013	8.321	3	106.9013	8.321	3	108.1690	5.257	6	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	S-4:N-4:	N-4:	N(OS)(H)3	O(SCOO)(NH3)	H(NHHO)	N(OS)(H)3	O(SCOO)(NH3)	H(NHHO)	109.4367	0.014	3	109.4367	0.000	3	109.4367	0.000	3	108.1690	5.257	6	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:2:1:1:	4:1:	4:	B[6,6]-4:O-2:H-1:H-1:	N-4:H-1:	N-4:	N(B[6,6]C[6,6]2C)(OH)(H)2	O(NB[6,6]HH)(H)	H(NB[6,6]HO)	N(B[6,6]C[6,6]2C)(OH)(H)2	O(NB[6,6]HH)(H)	H(NB[6,6]HO)	108.8085	0.019	2	108.8085	0.000	2	108.8085	0.000	2	109.8480	2.822	9	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	N-4:H-1:	N-4:	N(CCCH)(OH)(H)2	O(NCHH)(H)	H(NCHO)	N(CCCH)(OH)(H)2	O(NCHH)(H)	H(NCHO)	111.2415	3.055	2	111.2415	9.336	2	111.1023	4.726	3	109.8480	2.822	9	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	N-4:H-1:	N-4:	N(CH3)(OH)(H)2	O(NCHH)(H)	H(NCHO)	N(CH3)(OH)(H)2	O(NCHH)(H)	H(NCHO)	110.8240	0.000	1	110.8240	0.000	1	111.1023	4.726	3	109.8480	2.822	9	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	N-4:H-1:	N-4:	N(C[6]C[6]2C)(OH)(H)2	O(NC[6]HH)(H)	H(NC[6]HO)	N(C[6]C[6]2C)(OH)(H)2	O(NC[6]HH)(H)	H(NC[6]HO)	109.4270	1.358	4	109.4270	1.844	4	109.4270	1.844	4	109.8480	2.822	9	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:	N-4:	N(CCHH)(OC)(H)2	O(CCHH)(NCHH)	H(NCHO)	N(CCHH)(OC)(H)2	O(CCHH)(NCHH)	H(NCHO)	110.2175	0.117	11	110.2175	0.014	11	110.2175	0.014	11	109.9439	0.458	13	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	B[6a]-4:N-4:	N-4:	N(C[6]C[6]2H)(OB[6a])(H)2	O(B[6a]C[6a]O[6a]2)(NC[6]HH)	H(NC[6]HO)	N(C[6]C[6]2H)(OB[6a])(H)2	O(B[6a]C[6a]O[6a]2)(NC[6]HH)	H(NC[6]HO)	108.4390	0.033	2	108.4390	0.001	2	108.4390	0.001	2	109.9439	0.458	13	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	N-4:H-1:	N-4:	N(CCHH)2(OH)(H)	O(NCCH)(H)	H(NCCO)	N(CCHH)2(OH)(H)	O(NCCH)(H)	H(NCCO)	108.0300	0.513	2	108.0300	0.264	2	108.0300	0.264	2	108.0300	0.264	2	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:4:2:1:	4:4:	4:	B-4:C-4:O-2:H-1:	C-4:N-4:	N-4:	N(BCHH)(CCHH)(OC)(H)	O(CC[6a]HH)(NBCH)	H(NBCO)	N(BCHH)(CCHH)(OC)(H)	O(CC[6a]HH)(NBCH)	H(NBCO)	107.1540	0.860	2	107.1540	0.739	2	107.1540	0.739	2	107.5080	8.193	5	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:4:2:1:	4:4:	4:	B-4:C-4:O-2:H-1:	N-4:C-4:	N-4:	N(BCHH)(CCHH)(OC)(H)	O(NBCH)(CH3)	H(NBCO)	N(BCHH)(CCHH)(OC)(H)	O(NBCH)(CH3)	H(NBCO)	103.9890	0.000	1	103.9890	0.000	1	103.9890	0.000	1	107.5080	8.193	5	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:4:2:1:	4:4:	4:	C-4:B-4:O-2:H-1:	C-4:N-4:	N-4:	N(CC[6]HH)(BCHH)(OC)(H)	O(CC[6a]HH)(NBCH)	H(NBCO)	N(CC[6]HH)(BCHH)(OC)(H)	O(CC[6a]HH)(NBCH)	H(NBCO)	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	107.5080	8.193	5	109.1192	6.770	223	109.1192	6.770	223
892	893	951	0:SP3_SP-NON_SP3	N	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Ga-4:N-4:	N-4:	N(CCHH)(CH3)(OGa)(H)	O(GaCCO)(NCCH)	H(NCCO)	N(CCHH)(CH3)(OGa)(H)	O(GaCCO)(NCCH)	H(NCCO)	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	107.5080	8.193	5	109.1192	6.770	223	109.1192	6.770	223
892	899	899	0:SP3_SP-NON_SP-NON	N	C	C	3:1:1:1:	4:	4:	C[6]-3:C-1:C-1:C-1:	N-4:	N-4:	N(C[6]C[6]2)(C)3	C(NC[6]CC)	C(NC[6]CC)	N(C[6]C[6]2)(C)3	C(NC[6]CC)	C(NC[6]CC)	108.5760	0.445	3	108.5760	0.198	3	108.5760	0.198	3	108.5760	0.198	3	109.3145	2.313	4	109.3145	2.313	4
892	899	899	0:SP3_SP-NON_SP-NON	N	C	C	4:1:1:1:	4:	4:	C-4:C-1:C-1:H-1:	N-4:	N-4:	N(CCHH)(C)2(H)	C(NCCH)	C(NCCH)	N(CCHH)(C)2(H)	C(NCCH)	C(NCCH)	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	109.3145	2.313	4	109.3145	2.313	4
892	899	951	0:SP3_SP-NON_SP-NON	N	C	H	4:1:1:1:	4:	4:	C-4:C-1:C-1:H-1:	N-4:	N-4:	N(CCHH)(C)2(H)	C(NCCH)	H(NC3)	N(CCHH)(C)2(H)	C(NCCH)	H(NC3)	102.9025	0.214	2	102.9025	0.046	2	102.9025	0.046	2	102.9025	0.046	2	102.9025	0.046	2	102.9025	0.046	2
892	901	951	0:SP3_SP-NON_SP1	N	N	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:N-1:	N-4:	N-4:	N(H)3(N)	N(NH3)	H(NHHN)	N(H)3(N)	N(NH3)	H(NHHN)	109.5287	0.069	3	109.5287	0.005	3	109.5287	0.005	3	109.5287	0.005	3	109.5287	0.005	3	109.5287	0.005	3
892	902	902	0:SP3_SP2_SP2	N	C[3]	C[3]	3:3:3:3:	3:2:4:	3:2:4:	C[3]-3:C[3]-3:C[3]-3:C[3]-3:	C[3]-3:O[3]-2:N-4:	C[3]-3:O[3]-2:N-4:	N(C[3]C[3]O[3])4	C[3](C[3]O[3]C)(O[3]C[3])(NC[3]3)	C[3](C[3]O[3]C)(O[3]C[3])(NC[3]3)	N(C[3]C[3]O[3])4	C[3](C[3]O[3]C)(O[3]C[3])(NC[3]3)	C[3](C[3]O[3]C)(O[3]C[3])(NC[3]3)	105.7227	17.465	2	105.7227	305.013	2	105.7227	305.013	2	105.7227	305.013	2	105.7227	305.013	2	105.7227	305.013	2
892	930	930	0:SP3_SP2_SP2	N	C	C	4:4:3:3:	4:1:1:	4:1:1:	C-4:C-4:C-3:C-3:	N-4:H-1:H-1:	N-4:H-1:H-1:	N(CCHH)2(CHH)2	C(NC3)(H)2	C(NC3)(H)2	N(CCHH)2(CHH)2	C(NC3)(H)2	C(NC3)(H)2	116.7540	0.000	1	116.7540	0.000	1	116.7540	0.000	1	116.7540	0.000	1	110.6425	19.742	4	110.6425	19.742	4
892	930	930	0:SP3_SP2_SP2	N	C	C	4:4:3:3:	4:3:1:	4:3:1:	C-4:C-4:C-3:C-3:	N-4:C-3:H-1:	N-4:C-3:H-1:	N(CCHH)2(CCH)2	C(NC3)(CCH)(H)	C(NC3)(CCH)(H)	N(CCHH)2(CCH)2	C(NC3)(CCH)(H)	C(NC3)(CCH)(H)	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	110.6425	19.742	4	110.6425	19.742	4
892	930	930	0:SP3_SP2_SP2	N	C	C	4:4:3:3:	4:4:1:	4:4:1:	C-4:C-4:C-3:C-3:	C-4:N-4:H-1:	C-4:N-4:H-1:	N(CCHH)2(CCH)2	C(CCHH)(NC3)(H)	C(CCHH)(NC3)(H)	N(CCHH)2(CCH)2	C(CCHH)(NC3)(H)	C(CCHH)(NC3)(H)	110.3410	0.000	1	110.3410	0.000	1	108.2560	8.694	2	108.2560	8.694	2	110.6425	19.742	4	110.6425	19.742	4
892	930	930	0:SP3_SP2_SP2	N	C	C	4:4:3:3:	4:4:1:	4:4:1:	C-4:C-4:C-3:C-3:	C-4:N-4:H-1:	C-4:N-4:H-1:	N(CCHH)2(CCH)2	C(CH3)(NC3)(H)	C(CH3)(NC3)(H)	N(CCHH)2(CCH)2	C(CH3)(NC3)(H)	C(CH3)(NC3)(H)	106.1710	0.000	1	106.1710	0.000	1	108.2560	8.694	2	108.2560	8.694	2	110.6425	19.742	4	110.6425	19.742	4
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:1:	3:4:1:	4:	C-3:H-1:H-1:H-1:	C-3:N-4:H-1:	N-4:	N(CCH)(H)3	C(CC[6a]H)(NH3)(H)	H(NCHH)	N(CCH)(H)3	C(CC[6a]H)(NH3)(H)	H(NCHH)	109.5440	0.163	5	109.5440	0.026	5	109.5440	0.026	5	109.5440	0.026	5	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:1:	4:1:1:	4:	C-3:H-1:H-1:H-1:	N-4:H-1:H-1:	N-4:	N(CHH)(H)3	C(NH3)(H)2	H(NCHH)	N(CHH)(H)3	C(NH3)(H)2	H(NCHH)	111.4030	2.351	3	111.4030	5.527	3	111.4030	5.527	3	111.4030	5.527	3	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:1:	4:4:1:	4:	C-3:H-1:H-1:H-1:	C-4:N-4:H-1:	N-4:	N(CCH)(H)3	C(CCHH)(NH3)(H)	H(NCHH)	N(CCH)(H)3	C(CCHH)(NH3)(H)	H(NCHH)	110.4783	1.108	3	110.4783	1.227	3	110.4783	1.227	3	109.8426	0.684	8	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:1:	4:4:1:	4:	C-3:H-1:H-1:H-1:	C-4:N-4:O-1:	N-4:	N(CCO)(H)3	C(CC[6a]C[5]C)(NH3)(O)	H(NCHH)	N(CCO)(H)3	C(CC[6a]C[5]C)(NH3)(O)	H(NCHH)	109.4570	0.014	2	109.4570	0.000	2	109.4570	0.000	2	109.8426	0.684	8	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:1:	4:4:1:	4:	C-3:H-1:H-1:H-1:	C[6]-4:N-4:H-1:	N-4:	N(CC[6]H)(H)3	C(C[6]C[6,6]C[6]C)(NH3)(H)	H(NCHH)	N(CC[6]H)(H)3	C(C[6]C[6,6]C[6]C)(NH3)(H)	H(NCHH)	109.4640	0.442	3	109.4640	0.195	3	109.4640	0.195	3	109.8426	0.684	8	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:1:	4:4:3:	4:	C-3:H-1:H-1:H-1:	C-4:N-4:C-3:	N-4:	N(CCC)(H)3	C(CCHH)(NH3)(COO)	H(NCHH)	N(CCC)(H)3	C(CCHH)(NH3)(COO)	H(NCHH)	110.4693	2.181	3	110.4693	4.759	3	110.4693	4.759	3	110.4693	4.759	3	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:1:	4:4:4:	4:	C-3:H-1:H-1:H-1:	C-4:C-4:N-4:	N-4:	N(CCC)(H)3	C(CCHH)(CH3)(NH3)	H(NCHH)	N(CCC)(H)3	C(CCHH)(CH3)(NH3)	H(NCHH)	109.4640	0.053	3	109.4640	0.003	3	109.3915	0.015	6	109.3915	0.015	6	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:1:	4:4:4:	4:	C-3:H-1:H-1:H-1:	C-4:C-4:N-4:	N-4:	N(CCC)(H)3	C(CHHN)(CH3)(NH3)	H(NCHH)	N(CCC)(H)3	C(CHHN)(CH3)(NH3)	H(NCHH)	109.3190	0.142	3	109.3190	0.020	3	109.3915	0.015	6	109.3915	0.015	6	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:1:	3:4:1:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N-4:O-1:	N-4:	N(C[6a]C[6a]2)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(O)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(O)	H(NC[6a]CH)	105.3750	0.013	2	105.3750	0.000	2	105.3750	0.000	2	105.3750	0.000	2	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:1:	3:3:4:	4:	C-3:C-4:H-1:H-1:	C[6a]-3:C-3:N-4:	N-4:	N(CC[6a]C)(CC3)(H)2	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	H(NCCH)	N(CC[6a]C)(CC3)(H)2	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	H(NCCH)	110.1325	1.080	2	110.1325	1.166	2	110.1325	1.166	2	110.1325	1.166	2	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:1:	3:4:1:	4:	C-3:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:	N-4:	N(CC[6a]H)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)	H(NCCH)	N(CC[6a]H)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)	H(NCCH)	104.4348	2.596	4	104.4348	6.738	4	104.4348	6.738	4	104.4348	6.738	4	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:1:	3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:N-4:O-1:	N-4:	N(CC[5]HH)(CC[5a]O)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(O)	H(NCCH)	N(CC[5]HH)(CC[5a]O)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(O)	H(NCCH)	106.5645	0.021	2	106.5645	0.000	2	106.5645	0.000	2	104.8923	14.167	4	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:1:	3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-4:H-1:	N-4:	N(CC[6a]CH)(CC[6a]H)(H)2	C(C[6a]C[6a]2)(NCHH)(H)	H(NCCH)	N(CC[6a]CH)(CC[6a]H)(H)2	C(C[6a]C[6a]2)(NCHH)(H)	H(NCCH)	103.2200	5.596	2	103.2200	31.316	2	103.2200	31.316	2	104.8923	14.167	4	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:1:	4:2:1:	4:	C-4:C-3:H-1:H-1:	N-4:N-2:O-1:	N-4:	N(CCCH)(CNO)(H)2	C(NCHH)(NC)(O)	H(NCCH)	N(CCCH)(CNO)(H)2	C(NCHH)(NC)(O)	H(NCCH)	107.4200	0.078	2	107.4200	0.006	2	107.4200	0.006	2	107.4200	0.006	2	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:1:	4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:	N-4:	N(CCHH)(CCH)(H)2	C(CHHN)(NCHH)(H)	H(NCCH)	N(CCHH)(CCH)(H)2	C(CHHN)(NCHH)(H)	H(NCCH)	105.5380	6.833	6	105.5380	46.695	6	106.8996	42.187	8	106.7613	32.897	10	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:1:	4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:	N-4:	N(CC[6a]HH)(CCH)(H)2	C(CHHN)(NCHH)(H)	H(NCCH)	N(CC[6a]HH)(CCH)(H)2	C(CHHN)(NCHH)(H)	H(NCCH)	110.9845	4.164	2	110.9845	17.340	2	106.8996	42.187	8	106.7613	32.897	10	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:1:	4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:O-1:	N-4:	N(CC3)(CCO)(H)2	C(CC[6]HH)(NCHH)(O)	H(NCCH)	N(CC3)(CCO)(H)2	C(CC[6]HH)(NCHH)(O)	H(NCCH)	106.2080	0.007	2	106.2080	0.000	2	106.2080	0.000	2	106.7613	32.897	10	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:1:	4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:	N-4:	N(CCCH)(CCC)(H)2	C(NCHH)(CH3)2	H(NCCH)	N(CCCH)(CCC)(H)2	C(NCHH)(CH3)2	H(NCCH)	106.0263	3.192	4	106.0263	10.187	4	106.0263	10.187	4	106.0263	10.187	4	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:4:3:1:	4:1:1:	4:	C-4:C-4:C-3:H-1:	N-4:H-1:H-1:	N-4:	N(CCHH)2(CHH)(H)	C(NCCH)(H)2	H(NC3)	N(CCHH)2(CHH)(H)	C(NCCH)(H)2	H(NC3)	98.1332	0.000	1	98.1332	0.000	1	98.1332	0.000	1	98.1332	0.000	1	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:4:3:1:	4:3:1:	4:	C-4:C-4:C-3:H-1:	N-4:N-3:O-1:	N-4:	N(CCHH)2(CNO)(H)	C(NCCH)(NCC)(O)	H(NC3)	N(CCHH)2(CNO)(H)	C(NCCH)(NCC)(O)	H(NC3)	112.7990	0.000	1	112.7990	0.000	1	112.7990	0.000	1	112.7990	0.000	1	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	4:4:3:1:	4:3:2:	4:	C-4:C-4:C-3:H-1:	N-4:N-3:O-2:	N-4:	N(CCHH)2(CNO)(H)	C(NCCH)(NCC)(OW)	H(NC3)	N(CCHH)2(CNO)(H)	C(NCCH)(NCC)(OW)	H(NC3)	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	107.8771	14.007	57	107.8771	14.007	57
892	930	951	0:SP3_SP-NON_SP2	N	C	H	5:4:3:1:	4:4:1:	4:	C-5:C-4:C-3:H-1:	N-4:P-4:H-1:	N-4:	N(CH3P)(CHHP)(CHP)(H)	C(NCCH)(PO3)(H)	H(NC3)	N(CH3P)(CHHP)(CHP)(H)	C(NCCH)(PO3)(H)	H(NC3)	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	107.8771	14.007	57	107.8771	14.007	57
892	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:N-4:	N-4:	N(NC)(H)3	N(CC[5a]N)(NH3)	H(NHHN)	N(NC)(H)3	N(CC[5a]N)(NH3)	H(NHHN)	108.6318	5.375	10	108.6318	28.891	10	108.6318	28.891	10	108.6318	28.891	10	110.1056	31.137	42	110.1056	31.137	42
892	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:1:	4:1:	4:	N-2:H-1:H-1:H-1:	N-4:H-1:	N-4:	N(NH)(H)3	N(NH3)(H)	H(NHHN)	N(NH)(H)3	N(NH3)(H)	H(NHHN)	111.7778	7.033	17	111.7778	49.462	17	111.7778	49.462	17	111.7778	49.462	17	110.1056	31.137	42	110.1056	31.137	42
892	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	N-4:C-3:	N-4:	N(NC)(H)3	N(NH3)(CCN)	H(NHHN)	N(NC)(H)3	N(NH3)(CCN)	H(NHHN)	109.5860	3.542	3	109.5860	12.548	3	109.1821	15.079	9	109.1821	15.079	9	110.1056	31.137	42	110.1056	31.137	42
892	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	N-4:C-3:	N-4:	N(NC)(H)3	N(NH3)(CNN)	H(NHHN)	N(NC)(H)3	N(NH3)(CNN)	H(NHHN)	110.4613	5.099	3	110.4613	25.998	3	109.1821	15.079	9	109.1821	15.079	9	110.1056	31.137	42	110.1056	31.137	42
892	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	N-4:C-3:	N-4:	N(NC)(H)3	N(NH3)(CSS)	H(NHHN)	N(NC)(H)3	N(NH3)(CSS)	H(NHHN)	107.4990	3.850	3	107.4990	14.821	3	109.1821	15.079	9	109.1821	15.079	9	110.1056	31.137	42	110.1056	31.137	42
892	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:1:	3:4:	4:	B-4:N-2:H-1:H-1:	C-3:N-4:	N-4:	N(BC[6a]3)(NC)(H)2	N(CC[6a]2)(NBHH)	H(NBHN)	N(BC[6a]3)(NC)(H)2	N(CC[6a]2)(NBHH)	H(NBHN)	108.9317	2.701	4	108.9317	7.295	4	108.9317	7.295	4	109.2097	4.564	6	110.1056	31.137	42	110.1056	31.137	42
892	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:N-4:	N-4:	N(CC[6a]HH)(NC)(H)2	N(CC[6a]H)(NCHH)	H(NCHN)	N(CC[6a]HH)(NC)(H)2	N(CC[6a]H)(NCHH)	H(NCHN)	109.7655	0.070	2	109.7655	0.005	2	109.7655	0.005	2	109.2097	4.564	6	110.1056	31.137	42	110.1056	31.137	42
892	943	951	0:SP3_SP-NON_SP-NON	N	Ga[3x6]	H	4:1:1:1:	2:2:2:4:	4:	Ga[3x6]-4:H-1:H-1:H-1:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N-4:	N-4:	N(Ga[3x6]S[6,6]3)(H)3	Ga[3x6](S[6,6]Ga[6x6])3(NH3)	H(NGa[3x6]HH)	N(Ga[3x6]S[6,6]3)(H)3	Ga[3x6](S[6,6]Ga[6x6])3(NH3){3|S<2>,3|S<3>}	H(NGa[3x6]HH)	109.4963	0.059	3	109.4963	0.004	3	109.4963	0.004	3	109.4963	0.004	3	109.4963	0.004	3	109.4963	0.004	3
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:H-1:	N-4:	N-4:	N(H)4	H(NH3)	H(NH3)	N(H)4	H(NH3)	H(NH3)	109.3696	5.848	4588	109.3696	34.202	4588	109.3696	34.202	4588	109.3691	34.089	4606	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:N-1:	N-4:	N-4:	N(H)3(N)	H(NHHN)	H(NHHN)	N(H)3(N)	H(NHHN)	H(NHHN)	109.4137	0.071	3	109.4137	0.005	3	109.4137	0.005	3	109.3691	34.089	4606	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:O-1:	N-4:	N-4:	N(H)3(O)	H(NHHO)	H(NHHO)	N(H)3(O)	H(NHHO)	H(NHHO)	109.2285	2.615	15	109.2285	6.839	15	109.2285	6.839	15	109.3691	34.089	4606	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	N-4:	N-4:	N(CC)(H)3	H(NCHH)	H(NCHH)	N(CC)(H)3	H(NCHH)	H(NCHH)	111.7702	11.913	6	111.7702	141.917	6	110.9869	90.079	9	109.5921	18.978	245	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:1:	4:	4:	C-2:H-1:H-1:H-1:	N-4:	N-4:	N(CN)(H)3	H(NCHH)	H(NCHH)	N(CN)(H)3	H(NCHH)	H(NCHH)	109.4203	0.033	3	109.4203	0.001	3	110.9869	90.079	9	109.5921	18.978	245	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	N-4:	N-4:	N(NC)(H)3	H(NHHN)	H(NHHN)	N(NC)(H)3	H(NHHN)	H(NHHN)	109.6115	6.178	19	109.6115	38.163	19	108.3106	44.483	39	109.5921	18.978	245	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	N-4:	N-4:	N(NH)(H)3	H(NHHN)	H(NHHN)	N(NH)(H)3	H(NHHN)	H(NHHN)	107.0748	7.036	20	107.0748	49.512	20	108.3106	44.483	39	109.5921	18.978	245	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	N-4:	N-4:	N(OC)(H)3	H(NHHO)	H(NHHO)	N(OC)(H)3	H(NHHO)	H(NHHO)	111.8413	3.195	3	111.8413	10.206	3	109.7821	10.873	197	109.5921	18.978	245	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	N-4:	N-4:	N(OH)(H)3	H(NHHO)	H(NHHO)	N(OH)(H)3	H(NHHO)	H(NHHO)	109.7541	3.323	191	109.7541	11.040	191	109.7821	10.873	197	109.5921	18.978	245	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:1:	4:	4:	O-2:H-1:H-1:H-1:	N-4:	N-4:	N(OS)(H)3	H(NHHO)	H(NHHO)	N(OS)(H)3	H(NHHO)	H(NHHO)	109.5057	0.019	3	109.5057	0.000	3	109.7821	10.873	197	109.5921	18.978	245	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:2:1:1:	4:	4:	C-2:C-2:H-1:H-1:	N-4:	N-4:	N(CC)2(H)2	H(NCCH)	H(NCCH)	N(CC)2(H)2	H(NCCH)	H(NCCH)	103.0740	0.000	1	103.0740	0.000	1	103.0740	0.000	1	103.0740	0.000	1	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	N-4:	N-4:	N(CCC)(H)3	H(NCHH)	H(NCHH)	N(CCC)(H)3	H(NCHH)	H(NCHH)	109.1589	1.433	9	109.1589	2.055	9	108.9804	1.827	25	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	N-4:	N-4:	N(CCH)(H)3	H(NCHH)	H(NCHH)	N(CCH)(H)3	H(NCHH)	H(NCHH)	109.0958	0.708	9	109.0958	0.502	9	108.9804	1.827	25	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	N-4:	N-4:	N(CCO)(H)3	H(NCHH)	H(NCHH)	N(CCO)(H)3	H(NCHH)	H(NCHH)	109.4720	0.045	2	109.4720	0.002	2	108.9804	1.827	25	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6]H)(H)3	H(NCHH)	H(NCHH)	N(CC[6]H)(H)3	H(NCHH)	H(NCHH)	109.4740	0.017	2	109.4740	0.000	2	108.9804	1.827	25	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C-3:H-1:H-1:H-1:	N-4:	N-4:	N(CHH)(H)3	H(NCHH)	H(NCHH)	N(CHH)(H)3	H(NCHH)	H(NCHH)	107.4423	2.732	3	107.4423	7.462	3	108.9804	1.827	25	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2)(H)3	H(NC[5]HH)	H(NC[5]HH)	N(C[5]C[5]2)(H)3	H(NC[5]HH)	H(NC[5]HH)	107.6088	4.341	9	107.6088	18.844	9	108.4739	10.319	17	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[5]N[5]2)(H)3	H(NC[5]HH)	H(NC[5]HH)	N(C[5]N[5]2)(H)3	H(NC[5]HH)	H(NC[5]HH)	109.4472	0.079	8	109.4472	0.006	8	108.4739	10.319	17	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[5a]C[5a]2)(H)3	H(NC[5a]HH)	H(NC[5a]HH)	N(C[5a]C[5a]2)(H)3	H(NC[5a]HH)	H(NC[5a]HH)	108.2394	2.598	14	108.2394	6.748	14	108.8315	3.768	27	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[5a]C[5a]N[5a])(H)3	H(NC[5a]HH)	H(NC[5a]HH)	N(C[5a]C[5a]N[5a])(H)3	H(NC[5a]HH)	H(NC[5a]HH)	109.4867	0.066	7	109.4867	0.004	7	108.8315	3.768	27	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[5a]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[5a]N[5a]S[5a])(H)3	H(NC[5a]HH)	H(NC[5a]HH)	N(C[5a]N[5a]S[5a])(H)3	H(NC[5a]HH)	H(NC[5a]HH)	109.4487	0.063	6	109.4487	0.004	6	108.8315	3.768	27	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]C[6,6a]O[6])(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]C[6,6a]O[6])(H)3	H(NC[6]HH)	H(NC[6]HH)	109.4813	0.053	3	109.4813	0.003	3	108.9789	24.005	92	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2)(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]C[6]2)(H)3	H(NC[6]HH)	H(NC[6]HH)	108.8656	5.345	77	108.8656	28.573	77	108.9789	24.005	92	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]N[6])(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]C[6]N[6])(H)3	H(NC[6]HH)	H(NC[6]HH)	109.4643	0.039	3	109.4643	0.002	3	108.9789	24.005	92	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]O[6])(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]C[6]O[6])(H)3	H(NC[6]HH)	H(NC[6]HH)	109.5003	0.046	3	109.5003	0.002	3	108.9789	24.005	92	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]N[6]2)(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]N[6]2)(H)3	H(NC[6]HH)	H(NC[6]HH)	109.6777	1.157	6	109.6777	1.339	6	108.9789	24.005	92	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6a]-3:D-1:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(D)(H)2	H(NC[6a]DH)	H(NC[6a]DH)	N(C[6a]C[6a]2)(D)(H)2	H(NC[6a]DH)	H(NC[6a]DH)	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6,6a]C[6a])(H)3	H(NC[6a]HH)	H(NC[6a]HH)	N(C[6a]C[6,6a]C[6a])(H)3	H(NC[6a]HH)	H(NC[6a]HH)	108.0053	1.490	3	108.0053	2.221	3	108.6770	10.791	2768	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(H)3	H(NC[6a]HH)	H(NC[6a]HH)	N(C[6a]C[6a,6a]C[6a])(H)3	H(NC[6a]HH)	H(NC[6a]HH)	109.0490	1.936	42	109.0490	3.750	42	108.6770	10.791	2768	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(H)3	H(NC[6a]HH)	H(NC[6a]HH)	N(C[6a]C[6a]2)(H)3	H(NC[6a]HH)	H(NC[6a]HH)	108.6644	3.318	2697	108.6644	11.008	2697	108.6770	10.791	2768	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]N[6a])(H)3	H(NC[6a]HH)	H(NC[6a]HH)	N(C[6a]C[6a]N[6a])(H)3	H(NC[6a]HH)	H(NC[6a]HH)	109.4454	0.040	9	109.4454	0.002	9	108.6770	10.791	2768	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:H-1:H-1:	N-4:	N-4:	N(C[6a]N[6a]2)(H)3	H(NC[6a]HH)	H(NC[6a]HH)	N(C[6a]N[6a]2)(H)3	H(NC[6a]HH)	H(NC[6a]HH)	109.4649	0.056	17	109.4649	0.003	17	108.6770	10.791	2768	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	Ge-3:H-1:H-1:H-1:	N-4:	N-4:	N(GeOO)(H)3	H(NGeHH)	H(NGeHH)	N(GeOO)(H)3	H(NGeHH)	H(NGeHH)	109.4433	0.084	3	109.4433	0.007	3	109.4433	0.007	3	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	N-4:	N-4:	N(NCC)(H)3	H(NHHN)	H(NHHN)	N(NCC)(H)3	H(NHHN)	H(NHHN)	108.9798	2.487	6	108.9798	6.186	6	109.3214	21.689	504	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	N-4:	N-4:	N(NCH)(H)3	H(NHHN)	H(NHHN)	N(NCH)(H)3	H(NHHN)	H(NHHN)	109.4552	3.909	132	109.4552	15.278	132	109.3214	21.689	504	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	N-4:	N-4:	N(NC[5]H)(H)3	H(NHHN)	H(NHHN)	N(NC[5]H)(H)3	H(NHHN)	H(NHHN)	108.4005	4.755	15	108.4005	22.609	15	109.3214	21.689	504	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	N-4:	N-4:	N(NC[5a]H)(H)3	H(NHHN)	H(NHHN)	N(NC[5a]H)(H)3	H(NHHN)	H(NHHN)	108.6676	2.182	15	108.6676	4.763	15	109.3214	21.689	504	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	N-4:	N-4:	N(NC[6]H)(H)3	H(NHHN)	H(NHHN)	N(NC[6]H)(H)3	H(NHHN)	H(NHHN)	107.8333	4.416	5	107.8333	19.503	5	109.3214	21.689	504	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	N-4:	N-4:	N(NC[6a]2)(H)3	H(NHHN)	H(NHHN)	N(NC[6a]2)(H)3	H(NHHN)	H(NHHN)	107.5218	3.537	6	107.5218	12.511	6	109.3214	21.689	504	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	N-4:	N-4:	N(NC[6a]H)(H)3	H(NHHN)	H(NHHN)	N(NC[6a]H)(H)3	H(NHHN)	H(NHHN)	110.3485	5.845	12	110.3485	34.162	12	109.3214	21.689	504	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	N-3:H-1:H-1:H-1:	N-4:	N-4:	N(NHH)(H)3	H(NHHN)	H(NHHN)	N(NHH)(H)3	H(NHHN)	H(NHHN)	109.3659	5.036	313	109.3659	25.358	313	109.3214	21.689	504	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	N-4:	N-4:	N(N[6]C[6]2)(H)3	H(NN[6]HH)	H(NN[6]HH)	N(N[6]C[6]2)(H)3	H(NN[6]HH)	H(NN[6]HH)	109.4790	0.022	3	109.4790	0.000	3	109.4790	0.000	3	108.7849	12.642	3440	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]O)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]O)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	106.4285	0.638	4	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)2(H)2	H(NC[6a]2H)	H(NC[6a]2H)	N(C[6a]C[6a]2)2(H)2	H(NC[6a]2H)	H(NC[6a]2H)	107.1040	0.194	2	107.1040	0.038	2	106.6000	0.781	3	106.4285	0.638	4	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]N[6a])2(H)2	H(NC[6a]2H)	H(NC[6a]2H)	N(C[6a]C[6a]N[6a])2(H)2	H(NC[6a]2H)	H(NC[6a]2H)	105.5920	0.000	1	105.5920	0.000	1	106.6000	0.781	3	106.4285	0.638	4	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]C)(CC3)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]C)(CC3)(H)2	H(NCCH)	H(NCCH)	103.1760	0.000	1	103.1760	0.000	1	101.7254	28.576	3	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C-3:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]H)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]H)(CCHH)(H)2	H(NCCH)	H(NCCH)	101.0001	7.348	2	101.0001	53.995	2	101.7254	28.576	3	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[5]-3:N-4:H-1:H-1:	N-4:	N-4:	N(C[5]N[5]2)(NNiHH)(H)2	H(NC[5]HN)	H(NC[5]HN)	N(C[5]N[5]2)(NNiHH)(H)2	H(NC[5]HN)	H(NC[5]HN)	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:B-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(BC[6a]3)(H)2	H(NC[6a]BH)	H(NC[6a]BH)	N(C[6a]C[6a]2)(BC[6a]3)(H)2	H(NC[6a]BH)	H(NC[6a]BH)	107.3888	3.876	5	107.3888	15.020	5	106.8817	11.587	7	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:B-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(BCl3)(H)2	H(NC[6a]BH)	H(NC[6a]BH)	N(C[6a]C[6a]2)(BCl3)(H)2	H(NC[6a]BH)	H(NC[6a]BH)	107.1860	0.000	1	107.1860	0.000	1	106.8817	11.587	7	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:B-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(BH3)(H)2	H(NC[6a]BH)	H(NC[6a]BH)	N(C[6a]C[6a]2)(BH3)(H)2	H(NC[6a]BH)	H(NC[6a]BH)	104.0420	0.000	1	104.0420	0.000	1	106.8817	11.587	7	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	108.6355	1.163	2	108.6355	1.353	2	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	112.1120	0.000	1	112.1120	0.000	1	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(CC3)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC3)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	106.9990	1.138	2	106.9990	1.296	2	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCCH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	103.6655	4.309	4	103.6655	18.571	4	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCHH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	106.5071	1.709	8	106.5071	2.920	8	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(CC[5]CH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[5]CH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	108.2950	0.000	1	108.2950	0.000	1	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	106.7670	0.000	1	106.7670	0.000	1	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	105.1789	3.484	27	105.1789	12.137	27	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	102.3280	0.000	1	102.3280	0.000	1	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:	N-4:	N(C[6a]C[6a]2)(CH3)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CH3)(H)2	H(NC[6a]CH)	H(NC[6a]CH)	105.8152	3.029	5	105.8152	9.175	5	105.6999	10.611	52	105.6726	11.753	63	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	N-4:	N-4:	N(BCHH)(H)3	H(NBHH)	H(NBHH)	N(BCHH)(H)3	H(NBHH)	H(NBHH)	109.4777	0.063	3	109.4777	0.004	3	107.7457	6.591	65	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	N-4:	N-4:	N(BC[6a]2H)(H)3	H(NBHH)	H(NBHH)	N(BC[6a]2H)(H)3	H(NBHH)	H(NBHH)	106.4243	2.349	3	106.4243	5.520	3	107.7457	6.591	65	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	N-4:	N-4:	N(BC[6a]3)(H)3	H(NBHH)	H(NBHH)	N(BC[6a]3)(H)3	H(NBHH)	H(NBHH)	107.3867	2.927	22	107.3867	8.569	22	107.7457	6.591	65	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	N-4:	N-4:	N(BClHH)(H)3	H(NBHH)	H(NBHH)	N(BClHH)(H)3	H(NBHH)	H(NBHH)	107.8890	1.014	2	107.8890	1.028	2	107.7457	6.591	65	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	N-4:	N-4:	N(BF3)(H)3	H(NBHH)	H(NBHH)	N(BF3)(H)3	H(NBHH)	H(NBHH)	106.2700	3.284	2	106.2700	10.783	2	107.7457	6.591	65	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	N-4:	N-4:	N(BH3)(H)3	H(NBHH)	H(NBHH)	N(BH3)(H)3	H(NBHH)	H(NBHH)	109.4587	0.052	3	109.4587	0.003	3	107.7457	6.591	65	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	N-4:	N-4:	N(BHHN)(H)3	H(NBHH)	H(NBHH)	N(BHHN)(H)3	H(NBHH)	H(NBHH)	107.5633	2.196	24	107.5633	4.822	24	107.7457	6.591	65	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	N-4:	N-4:	N(BHHO)(H)3	H(NBHH)	H(NBHH)	N(BHHO)(H)3	H(NBHH)	H(NBHH)	108.8593	5.666	3	108.8593	32.099	3	107.7457	6.591	65	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B-4:H-1:H-1:H-1:	N-4:	N-4:	N(BO[5]HH)(H)3	H(NBHH)	H(NBHH)	N(BO[5]HH)(H)3	H(NBHH)	H(NBHH)	109.4897	0.041	3	109.4897	0.002	3	107.7457	6.591	65	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B[5]-4:H-1:H-1:H-1:	N-4:	N-4:	N(B[5]C[5,6a]C[6a]P[5])(H)3	H(NB[5]HH)	H(NB[5]HH)	N(B[5]C[5,6a]C[6a]P[5])(H)3	H(NB[5]HH)	H(NB[5]HH)	114.0933	2.465	3	114.0933	6.076	3	114.0933	6.076	3	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	B[6,6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(B[6,6]C[6,6]2C)(H)3	H(NB[6,6]HH)	H(NB[6,6]HH)	N(B[6,6]C[6,6]2C)(H)3	H(NB[6,6]HH)	H(NB[6,6]HH)	109.4899	0.021	7	109.4899	0.000	7	109.4899	0.000	7	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC3)(H)3	H(NCHH)	H(NCHH)	N(CC3)(H)3	H(NCHH)	H(NCHH)	108.7996	1.996	346	108.7996	3.982	346	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CCCH)(H)3	H(NCHH)	H(NCHH)	N(CCCH)(H)3	H(NCHH)	H(NCHH)	109.0323	2.487	2546	109.0323	6.184	2546	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CCCP)(H)3	H(NCHH)	H(NCHH)	N(CCCP)(H)3	H(NCHH)	H(NCHH)	109.4651	0.051	15	109.4651	0.003	15	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CCHH)(H)3	H(NCHH)	H(NCHH)	N(CCHH)(H)3	H(NCHH)	H(NCHH)	109.0893	2.772	5909	109.0893	7.683	5909	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CCHP)(H)3	H(NCHH)	H(NCHH)	N(CCHP)(H)3	H(NCHH)	H(NCHH)	108.9940	1.042	9	108.9940	1.085	9	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CCPP)(H)3	H(NCHH)	H(NCHH)	N(CCPP)(H)3	H(NCHH)	H(NCHH)	108.6259	3.109	73	108.6259	9.663	73	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[3]CH)(H)3	H(NCHH)	H(NCHH)	N(CC[3]CH)(H)3	H(NCHH)	H(NCHH)	109.4803	0.049	3	109.4803	0.002	3	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[3]PP)(H)3	H(NCHH)	H(NCHH)	N(CC[3]PP)(H)3	H(NCHH)	H(NCHH)	105.8265	6.041	3	105.8265	36.497	3	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[3x6]CH)(H)3	H(NCHH)	H(NCHH)	N(CC[3x6]CH)(H)3	H(NCHH)	H(NCHH)	109.4553	0.075	3	109.4553	0.006	3	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[3x6]HH)(H)3	H(NCHH)	H(NCHH)	N(CC[3x6]HH)(H)3	H(NCHH)	H(NCHH)	106.9775	2.563	6	106.9775	6.571	6	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[5]2H)(H)3	H(NCHH)	H(NCHH)	N(CC[5]2H)(H)3	H(NCHH)	H(NCHH)	107.0940	4.213	3	107.0940	17.750	3	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[5]CH)(H)3	H(NCHH)	H(NCHH)	N(CC[5]CH)(H)3	H(NCHH)	H(NCHH)	109.4803	0.047	6	109.4803	0.002	6	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[5]HH)(H)3	H(NCHH)	H(NCHH)	N(CC[5]HH)(H)3	H(NCHH)	H(NCHH)	108.8624	1.411	28	108.8624	1.992	28	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[5a]2H)(H)3	H(NCHH)	H(NCHH)	N(CC[5a]2H)(H)3	H(NCHH)	H(NCHH)	109.4613	0.024	3	109.4613	0.001	3	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[5a]HH)(H)3	H(NCHH)	H(NCHH)	N(CC[5a]HH)(H)3	H(NCHH)	H(NCHH)	109.1195	1.414	11	109.1195	1.998	11	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6]CH)(H)3	H(NCHH)	H(NCHH)	N(CC[6]CH)(H)3	H(NCHH)	H(NCHH)	108.1758	4.134	33	108.1758	17.086	33	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6]HH)(H)3	H(NCHH)	H(NCHH)	N(CC[6]HH)(H)3	H(NCHH)	H(NCHH)	109.1747	1.433	283	109.1747	2.053	283	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6a]2C[6])(H)3	H(NCHH)	H(NCHH)	N(CC[6a]2C[6])(H)3	H(NCHH)	H(NCHH)	109.4197	0.060	3	109.4197	0.004	3	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6a]2H)(H)3	H(NCHH)	H(NCHH)	N(CC[6a]2H)(H)3	H(NCHH)	H(NCHH)	110.0390	7.788	3	110.0390	60.657	3	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6a]3)(H)3	H(NCHH)	H(NCHH)	N(CC[6a]3)(H)3	H(NCHH)	H(NCHH)	108.2137	1.511	182	108.2137	2.284	182	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6a]CC)(H)3	H(NCHH)	H(NCHH)	N(CC[6a]CC)(H)3	H(NCHH)	H(NCHH)	109.8018	2.067	5	109.8018	4.271	5	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)(H)3	H(NCHH)	H(NCHH)	N(CC[6a]CH)(H)3	H(NCHH)	H(NCHH)	109.1871	2.820	1009	109.1871	7.955	1009	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6a]C[5]H)(H)3	H(NCHH)	H(NCHH)	N(CC[6a]C[5]H)(H)3	H(NCHH)	H(NCHH)	109.4755	0.028	6	109.4755	0.001	6	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(H)3	H(NCHH)	H(NCHH)	N(CC[6a]HH)(H)3	H(NCHH)	H(NCHH)	108.7875	2.861	609	108.7875	8.186	609	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CH3)(H)3	H(NCHH)	H(NCHH)	N(CH3)(H)3	H(NCHH)	H(NCHH)	109.2699	1.975	451	109.2699	3.900	451	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C-4:H-1:H-1:H-1:	N-4:	N-4:	N(CHHP)(H)3	H(NCHH)	H(NCHH)	N(CHHP)(H)3	H(NCHH)	H(NCHH)	108.9348	3.286	66	108.9348	10.795	66	109.0486	6.968	11614	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[3]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[3]C[3]2H)(H)3	H(NC[3]HH)	H(NC[3]HH)	N(C[3]C[3]2H)(H)3	H(NC[3]HH)	H(NC[3]HH)	109.0409	1.707	61	109.0409	2.912	61	109.0409	2.912	61	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[3x6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[3x6]C[6,6]3)(H)3	H(NC[3x6]HH)	H(NC[3x6]HH)	N(C[3x6]C[6,6]3)(H)3	H(NC[3x6]HH)	H(NC[3x6]HH)	109.1506	3.011	86	109.1506	9.065	86	109.1506	9.065	86	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[4]C[4,5]C[4]H)(H)3	H(NC[4]HH)	H(NC[4]HH)	N(C[4]C[4,5]C[4]H)(H)3	H(NC[4]HH)	H(NC[4]HH)	109.3180	2.442	3	109.3180	5.964	3	109.0414	3.104	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[4]C[4]2C)(H)3	H(NC[4]HH)	H(NC[4]HH)	N(C[4]C[4]2C)(H)3	H(NC[4]HH)	H(NC[4]HH)	108.5106	1.424	9	108.5106	2.028	9	109.0414	3.104	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[4]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[4]C[4]2H)(H)3	H(NC[4]HH)	H(NC[4]HH)	N(C[4]C[4]2H)(H)3	H(NC[4]HH)	H(NC[4]HH)	109.1775	1.820	29	109.1775	3.311	29	109.0414	3.104	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[4x6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[4x6]C[4x6]2C[6,6])(H)3	H(NC[4x6]HH)	H(NC[4x6]HH)	N(C[4x6]C[4x6]2C[6,6])(H)3	H(NC[4x6]HH)	H(NC[4x6]HH)	108.1050	3.979	6	108.1050	15.831	6	108.1050	15.831	6	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[5,5]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[5,5]C[3,5,5]C[3x5]C)(H)3	H(NC[5,5]HH)	H(NC[5,5]HH)	N(C[5,5]C[3,5,5]C[3x5]C)(H)3	H(NC[5,5]HH)	H(NC[5,5]HH)	107.6230	4.023	3	107.6230	16.182	3	107.6230	16.182	3	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[5,6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(NC[5,6]HH)	H(NC[5,6]HH)	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	H(NC[5,6]HH)	H(NC[5,6]HH)	109.4691	0.040	9	109.4691	0.002	9	109.4691	0.002	9	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[5]C[3,5]C[5]C)(H)3	H(NC[5]HH)	H(NC[5]HH)	N(C[5]C[3,5]C[5]C)(H)3	H(NC[5]HH)	H(NC[5]HH)	109.4870	0.040	2	109.4870	0.002	2	108.9883	3.251	98	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[5]C[3,5]C[5]H)(H)3	H(NC[5]HH)	H(NC[5]HH)	N(C[5]C[3,5]C[5]H)(H)3	H(NC[5]HH)	H(NC[5]HH)	109.4697	0.033	3	109.4697	0.001	3	108.9883	3.251	98	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[5]C[5,6a]C[5,5]H)(H)3	H(NC[5]HH)	H(NC[5]HH)	N(C[5]C[5,6a]C[5,5]H)(H)3	H(NC[5]HH)	H(NC[5]HH)	109.0627	3.820	3	109.0627	14.592	3	108.9883	3.251	98	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[5]C[5,6a]C[5]H)(H)3	H(NC[5]HH)	H(NC[5]HH)	N(C[5]C[5,6a]C[5]H)(H)3	H(NC[5]HH)	H(NC[5]HH)	109.4780	0.015	3	109.4780	0.000	3	108.9883	3.251	98	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2C)(H)3	H(NC[5]HH)	H(NC[5]HH)	N(C[5]C[5]2C)(H)3	H(NC[5]HH)	H(NC[5]HH)	109.1644	1.333	17	109.1644	1.776	17	108.9883	3.251	98	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2H)(H)3	H(NC[5]HH)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	H(NC[5]HH)	H(NC[5]HH)	109.0404	1.687	67	109.0404	2.845	67	108.9883	3.251	98	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[5]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2P)(H)3	H(NC[5]HH)	H(NC[5]HH)	N(C[5]C[5]2P)(H)3	H(NC[5]HH)	H(NC[5]HH)	105.4490	3.856	3	105.4490	14.869	3	108.9883	3.251	98	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[6,6]C[3x6]2H)(H)3	H(NC[6,6]HH)	H(NC[6,6]HH)	N(C[6,6]C[3x6]2H)(H)3	H(NC[6,6]HH)	H(NC[6,6]HH)	108.1291	1.964	17	108.1291	3.857	17	108.9130	1.991	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[6,6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[6,6]C[3x6]C[6,6]H)(H)3	H(NC[6,6]HH)	H(NC[6,6]HH)	N(C[6,6]C[3x6]C[6,6]H)(H)3	H(NC[6,6]HH)	H(NC[6,6]HH)	109.4684	0.056	24	109.4684	0.003	24	108.9130	1.991	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]C[5a,6]C[6]H)(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]C[5a,6]C[6]H)(H)3	H(NC[6]HH)	H(NC[6]HH)	107.2055	3.204	6	107.2055	10.267	6	109.0209	8.475	647	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]C[6,6]C[6]H)(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]C[6,6]C[6]H)(H)3	H(NC[6]HH)	H(NC[6]HH)	107.5830	4.374	3	107.5830	19.128	3	109.0209	8.475	647	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2C)(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]C[6]2C)(H)3	H(NC[6]HH)	H(NC[6]HH)	108.3342	2.307	36	108.3342	5.323	36	109.0209	8.475	647	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]C[6]2H)(H)3	H(NC[6]HH)	H(NC[6]HH)	109.1306	2.878	590	109.1306	8.282	590	109.0209	8.475	647	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(C[6]C[6a]C[6]2)(H)3	H(NC[6]HH)	H(NC[6]HH)	N(C[6]C[6a]C[6]2)(H)3	H(NC[6]HH)	H(NC[6]HH)	106.9527	4.472	12	106.9527	19.998	12	109.0209	8.475	647	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	Ga-4:H-1:H-1:H-1:	N-4:	N-4:	N(GaN3)(H)3	H(NGaHH)	H(NGaHH)	N(GaN3)(H)3	H(NGaHH)	H(NGaHH)	109.2263	0.060	3	109.2263	0.004	3	109.2263	0.004	3	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	Ga[3x6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(Ga[3x6]S[6,6]3)(H)3	H(NGa[3x6]HH)	H(NGa[3x6]HH)	N(Ga[3x6]S[6,6]3)(H)3	H(NGa[3x6]HH)	H(NGa[3x6]HH)	109.3880	0.048	2	109.3880	0.002	2	109.3880	0.002	2	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	Ge[6]-4:H-1:H-1:H-1:	N-4:	N-4:	N(Ge[6]Ge[6]O[6]O)(H)3	H(NGe[6]HH)	H(NGe[6]HH)	N(Ge[6]Ge[6]O[6]O)(H)3	H(NGe[6]HH)	H(NGe[6]HH)	109.4493	0.048	3	109.4493	0.002	3	109.4493	0.002	3	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	N-4:	N-4:	N(NCHH)(H)3	H(NHHN)	H(NHHN)	N(NCHH)(H)3	H(NHHN)	H(NHHN)	110.1667	2.050	3	110.1667	4.204	3	110.1636	6.571	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	N-4:	N-4:	N(NCoHH)(H)3	H(NHHN)	H(NHHN)	N(NCoHH)(H)3	H(NHHN)	H(NHHN)	109.4733	0.033	3	109.4733	0.001	3	110.1636	6.571	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	N-4:	N-4:	N(NH3)(H)3	H(NHHN)	H(NHHN)	N(NH3)(H)3	H(NHHN)	H(NHHN)	110.5220	3.195	25	110.5220	10.209	25	110.1636	6.571	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	N-4:	N-4:	N(NMnHH)(H)3	H(NHHN)	H(NHHN)	N(NMnHH)(H)3	H(NHHN)	H(NHHN)	109.4740	0.042	8	109.4740	0.002	8	110.1636	6.571	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	N-4:	N-4:	N(NRuHH)(H)3	H(NHHN)	H(NHHN)	N(NRuHH)(H)3	H(NHHN)	H(NHHN)	109.4730	0.055	2	109.4730	0.003	2	110.1636	6.571	41	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	N-4:	N-4:	N(SO3)(H)3	H(NHHS)	H(NHHS)	N(SO3)(H)3	H(NHHS)	H(NHHS)	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.0450	6.985	12731	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	B-4:N-2:H-1:H-1:	N-4:	N-4:	N(BC[6a]3)(NC)(H)2	H(NBHN)	H(NBHN)	N(BC[6a]3)(NC)(H)2	H(NBHN)	H(NBHN)	107.1635	1.060	2	107.1635	1.124	2	107.1635	1.124	2	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	B[6,6]-4:O-2:H-1:H-1:	N-4:	N-4:	N(B[6,6]C[6,6]2C)(OH)(H)2	H(NB[6,6]HO)	H(NB[6,6]HO)	N(B[6,6]C[6,6]2C)(OH)(H)2	H(NB[6,6]HO)	H(NB[6,6]HO)	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	N-4:	N-4:	N(CCHH)(CC)(H)2	H(NCCH)	H(NCCH)	N(CCHH)(CC)(H)2	H(NCCH)	H(NCCH)	107.1040	0.000	1	107.1040	0.000	1	107.4240	0.205	2	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	C-4:C-2:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CC)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CC)(H)2	H(NCCH)	H(NCCH)	107.7440	0.000	1	107.7440	0.000	1	107.4240	0.205	2	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	C-4:H-2:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(HH)(H)2	H(NCHH)	H(NCHH)	N(CC[6a]HH)(HH)(H)2	H(NCHH)	H(NCHH)	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	C-4:N-2:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(NC)(H)2	H(NCHN)	H(NCHN)	N(CC[6a]HH)(NC)(H)2	H(NCHN)	H(NCHN)	108.2830	0.006	2	108.2830	0.000	2	108.2830	0.000	2	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	N-4:	N-4:	N(CCCH)(OH)(H)2	H(NCHO)	H(NCHO)	N(CCCH)(OH)(H)2	H(NCHO)	H(NCHO)	105.4580	0.000	1	105.4580	0.000	1	107.6514	2.469	8	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	N-4:	N-4:	N(CCHH)(OC)(H)2	H(NCHO)	H(NCHO)	N(CCHH)(OC)(H)2	H(NCHO)	H(NCHO)	108.4940	0.060	6	108.4940	0.004	6	107.6514	2.469	8	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:H-1:	N-4:	N-4:	N(CH3)(OH)(H)2	H(NCHO)	H(NCHO)	N(CH3)(OH)(H)2	H(NCHO)	H(NCHO)	104.7890	0.000	1	104.7890	0.000	1	107.6514	2.469	8	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2C)(OH)(H)2	H(NC[6]HO)	H(NC[6]HO)	N(C[6]C[6]2C)(OH)(H)2	H(NC[6]HO)	H(NC[6]HO)	108.2445	3.477	2	108.2445	12.088	2	108.6083	6.441	3	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:2:1:1:	4:	4:	C[6]-4:O-2:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)(OB[6a])(H)2	H(NC[6]HO)	H(NC[6]HO)	N(C[6]C[6]2H)(OB[6a])(H)2	H(NC[6]HO)	H(NC[6]HO)	109.3360	0.000	1	109.3360	0.000	1	108.6083	6.441	3	107.8957	2.118	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	B-4:N-3:H-1:H-1:	N-4:	N-4:	N(BC[6a]2C)(NHH)(H)2	H(NBHN)	H(NBHN)	N(BC[6a]2C)(NHH)(H)2	H(NBHN)	H(NBHN)	102.8438	3.624	4	102.8438	13.131	4	104.1372	14.041	6	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	B-4:N-3:H-1:H-1:	N-4:	N-4:	N(BC[6a]3)(NCH)(H)2	H(NBHN)	H(NBHN)	N(BC[6a]3)(NCH)(H)2	H(NBHN)	H(NBHN)	104.4070	0.000	1	104.4070	0.000	1	104.1372	14.041	6	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	B-4:N-3:H-1:H-1:	N-4:	N-4:	N(BH3)(NHH)(H)2	H(NBHN)	H(NBHN)	N(BH3)(NHH)(H)2	H(NBHN)	H(NBHN)	109.0410	0.000	1	109.0410	0.000	1	104.1372	14.041	6	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	B[6,6]-4:N-3:H-1:H-1:	N-4:	N-4:	N(B[6,6]C[6,6]2C)(NHH)(H)2	H(NB[6,6]HN)	H(NB[6,6]HN)	N(B[6,6]C[6,6]2C)(NHH)(H)2	H(NB[6,6]HN)	H(NB[6,6]HN)	106.0740	3.035	4	106.0740	9.211	4	106.0740	9.211	4	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	N-4:	N-4:	N(CC3)(CCO)(H)2	H(NCCH)	H(NCCH)	N(CC3)(CCO)(H)2	H(NCCH)	H(NCCH)	106.3290	0.000	1	106.3290	0.000	1	106.8714	8.812	10	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	N-4:	N-4:	N(CCCH)(CCC)(H)2	H(NCCH)	H(NCCH)	N(CCCH)(CCC)(H)2	H(NCCH)	H(NCCH)	109.6420	3.844	2	109.6420	14.775	2	106.8714	8.812	10	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	N-4:	N-4:	N(CCCH)(CNO)(H)2	H(NCCH)	H(NCCH)	N(CCCH)(CNO)(H)2	H(NCCH)	H(NCCH)	106.9980	0.000	1	106.9980	0.000	1	106.8714	8.812	10	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	N-4:	N-4:	N(CCHH)(CCH)(H)2	H(NCCH)	H(NCCH)	N(CCHH)(CCH)(H)2	H(NCCH)	H(NCCH)	105.3590	1.580	3	105.3590	2.496	3	106.8714	8.812	10	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	N-4:	N-4:	N(CC[5]HH)(CC[5a]O)(H)2	H(NCCH)	H(NCCH)	N(CC[5]HH)(CC[5a]O)(H)2	H(NCCH)	H(NCCH)	106.5190	0.000	1	106.5190	0.000	1	106.8714	8.812	10	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)(CC[6a]H)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]CH)(CC[6a]H)(H)2	H(NCCH)	H(NCCH)	111.0470	0.000	1	111.0470	0.000	1	106.8714	8.812	10	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:C-3:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CCH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CCH)(H)2	H(NCCH)	H(NCCH)	102.4600	0.000	1	102.4600	0.000	1	106.8714	8.812	10	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	N-4:	N-4:	N(CC3)(NCH)(H)2	H(NCHN)	H(NCHN)	N(CC3)(NCH)(H)2	H(NCHN)	H(NCHN)	108.2170	0.000	1	108.2170	0.000	1	108.5258	7.617	26	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	N-4:	N-4:	N(CC3)(NHH)(H)2	H(NCHN)	H(NCHN)	N(CC3)(NHH)(H)2	H(NCHN)	H(NCHN)	104.7160	0.000	1	104.7160	0.000	1	108.5258	7.617	26	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	N-4:	N-4:	N(CH3)(NCH)(H)2	H(NCHN)	H(NCHN)	N(CH3)(NCH)(H)2	H(NCHN)	H(NCHN)	109.7540	0.000	1	109.7540	0.000	1	108.5258	7.617	26	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:N-3:H-1:H-1:	N-4:	N-4:	N(CH3)(NHH)(H)2	H(NCHN)	H(NCHN)	N(CH3)(NHH)(H)2	H(NCHN)	H(NCHN)	108.6515	2.812	23	108.6515	7.906	23	108.5258	7.617	26	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C-4:S-3:H-1:H-1:	N-4:	N-4:	N(CC[5]CH)(SCO)(H)2	H(NCHS)	H(NCHS)	N(CC[5]CH)(SCO)(H)2	H(NCHS)	H(NCHS)	107.2660	0.134	2	107.2660	0.018	2	107.2660	0.018	2	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6a]-3:H-1:H-1:	N-4:	N-4:	N(C[3x6]C[3,5,6,6]C[3,3x6]C[3x6])(C[6a]C[6a]2)(H)2	H(NC[3x6]C[6a]H)	H(NC[3x6]C[6a]H)	N(C[3x6]C[3,5,6,6]C[3,3x6]C[3x6])(C[6a]C[6a]2)(H)2	H(NC[3x6]C[6a]H)	H(NC[3x6]C[6a]H)	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:3:1:1:	4:	4:	C[6]-4:N-3:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2C)(NHH)(H)2	H(NC[6]HN)	H(NC[6]HN)	N(C[6]C[6]2C)(NHH)(H)2	H(NC[6]HN)	H(NC[6]HN)	100.4220	0.000	1	100.4220	0.000	1	100.4220	0.000	1	107.2249	10.649	50	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:B-4:H-1:H-1:	N-4:	N-4:	N(BC3)(BH3)(H)2	H(NBBH)	H(NBBH)	N(BC3)(BH3)(H)2	H(NBBH)	H(NBBH)	105.5640	0.000	1	105.5640	0.000	1	105.3502	12.060	46	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:B-4:H-1:H-1:	N-4:	N-4:	N(BC[5]ClH)(BC[6a]3)(H)2	H(NBBH)	H(NBBH)	N(BC[5]ClH)(BC[6a]3)(H)2	H(NBBH)	H(NBBH)	109.3900	0.000	1	109.3900	0.000	1	105.3502	12.060	46	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:B-4:H-1:H-1:	N-4:	N-4:	N(BC[6a]3)(BHHP)(H)2	H(NBBH)	H(NBBH)	N(BC[6a]3)(BHHP)(H)2	H(NBBH)	H(NBBH)	102.1710	0.000	1	102.1710	0.000	1	105.3502	12.060	46	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:B-4:H-1:H-1:	N-4:	N-4:	N(BC[6a]3)2(H)2	H(NBBH)	H(NBBH)	N(BC[6a]3)2(H)2	H(NBBH)	H(NBBH)	105.5266	4.798	17	105.5266	23.017	17	105.3502	12.060	46	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:B-4:H-1:H-1:	N-4:	N-4:	N(BHHN)(BH3)(H)2	H(NBBH)	H(NBBH)	N(BHHN)(BH3)(H)2	H(NBBH)	H(NBBH)	105.8905	2.322	19	105.8905	5.392	19	105.3502	12.060	46	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:B-4:H-1:H-1:	N-4:	N-4:	N(BHHN)(BHHP)(H)2	H(NBBH)	H(NBBH)	N(BHHN)(BHHP)(H)2	H(NBBH)	H(NBBH)	102.4230	0.000	1	102.4230	0.000	1	105.3502	12.060	46	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:B-4:H-1:H-1:	N-4:	N-4:	N(BHHN)2(H)2	H(NBBH)	H(NBBH)	N(BHHN)2(H)2	H(NBBH)	H(NBBH)	102.5945	1.752	2	102.5945	3.068	2	105.3502	12.060	46	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:B-4:H-1:H-1:	N-4:	N-4:	N(BHNN)(BH3)(H)2	H(NBBH)	H(NBBH)	N(BHNN)(BH3)(H)2	H(NBBH)	H(NBBH)	104.7150	0.647	3	104.7150	0.419	3	105.3502	12.060	46	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:B-4:H-1:H-1:	N-4:	N-4:	N(BN[6]HH)(BH3)(H)2	H(NBBH)	H(NBBH)	N(BN[6]HH)(BH3)(H)2	H(NBBH)	H(NBBH)	101.3540	0.000	1	101.3540	0.000	1	105.3502	12.060	46	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BCHH)(CH3)(H)2	H(NBCH)	H(NBCH)	N(BCHH)(CH3)(H)2	H(NBCH)	H(NBCH)	106.3980	0.000	1	106.3980	0.000	1	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BC[6a]2O)(CC[6a]HH)(H)2	H(NBCH)	H(NBCH)	N(BC[6a]2O)(CC[6a]HH)(H)2	H(NBCH)	H(NBCH)	104.9258	2.861	5	104.9258	8.186	5	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BC[6a]3)(CC3)(H)2	H(NBCH)	H(NBCH)	N(BC[6a]3)(CC3)(H)2	H(NBCH)	H(NBCH)	106.0195	0.125	2	106.0195	0.016	2	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BCl2N)(CH3)(H)2	H(NBCH)	H(NBCH)	N(BCl2N)(CH3)(H)2	H(NBCH)	H(NBCH)	108.6920	2.503	2	108.6920	6.266	2	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BH3)(CH3)(H)2	H(NBCH)	H(NBCH)	N(BH3)(CH3)(H)2	H(NBCH)	H(NBCH)	106.2000	0.000	1	106.2000	0.000	1	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BHHN)(CCCH)(H)2	H(NBCH)	H(NBCH)	N(BHHN)(CCCH)(H)2	H(NBCH)	H(NBCH)	104.8200	0.000	1	104.8200	0.000	1	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BHHN)(CCHH)(H)2	H(NBCH)	H(NBCH)	N(BHHN)(CCHH)(H)2	H(NBCH)	H(NBCH)	104.0400	0.000	1	104.0400	0.000	1	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BHHN)(CH3)(H)2	H(NBCH)	H(NBCH)	N(BHHN)(CH3)(H)2	H(NBCH)	H(NBCH)	106.8620	3.353	9	106.8620	11.240	9	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BHHP)(CH3)(H)2	H(NBCH)	H(NBCH)	N(BHHP)(CH3)(H)2	H(NBCH)	H(NBCH)	105.4495	3.303	2	105.4495	10.909	2	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:C-4:H-1:H-1:	N-4:	N-4:	N(BHHS)(CH3)(H)2	H(NBCH)	H(NBCH)	N(BHHS)(CH3)(H)2	H(NBCH)	H(NBCH)	104.4340	0.000	1	104.4340	0.000	1	106.1040	7.293	25	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B-4:N-4:H-1:H-1:	N-4:	N-4:	N(BC[6a]3)(NBHH)(H)2	H(NBHN)	H(NBHN)	N(BC[6a]3)(NBHH)(H)2	H(NBHN)	H(NBHN)	108.4055	1.117	2	108.4055	1.247	2	108.4055	1.247	2	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	N-4:	N-4:	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	H(NB[3x6]C[3x6]H)	H(NB[3x6]C[3x6]H)	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	H(NB[3x6]C[3x6]H)	H(NB[3x6]C[3x6]H)	106.0325	0.056	2	106.0325	0.003	2	106.0325	0.003	2	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B[5]-4:C-4:H-1:H-1:	N-4:	N-4:	N(B[5]O[5]2H)(CCHH)(H)2	H(NB[5]CH)	H(NB[5]CH)	N(B[5]O[5]2H)(CCHH)(H)2	H(NB[5]CH)	H(NB[5]CH)	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B[6,6]-4:N-4:H-1:H-1:	N-4:	N-4:	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	H(NB[6,6]HN)	H(NB[6,6]HN)	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	H(NB[6,6]HN)	H(NB[6,6]HN)	107.1770	0.061	3	107.1770	0.004	3	106.5908	2.677	5	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B[6,6]-4:N-4:H-1:H-1:	N-4:	N-4:	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	H(NB[6,6]HN)	H(NB[6,6]HN)	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	H(NB[6,6]HN)	H(NB[6,6]HN)	105.7115	2.850	2	105.7115	8.124	2	106.5908	2.677	5	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B[6a]-4:B-4:H-1:H-1:	N-4:	N-4:	N(B[6a]N[6a]2H)(BH3)(H)2	H(NB[6a]BH)	H(NB[6a]BH)	N(B[6a]N[6a]2H)(BH3)(H)2	H(NB[6a]BH)	H(NB[6a]BH)	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	B[6a]-4:C-4:H-1:H-1:	N-4:	N-4:	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	H(NB[6a]CH)	H(NB[6a]CH)	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	H(NB[6a]CH)	H(NB[6a]CH)	104.9437	2.014	3	104.9437	4.056	3	104.9437	4.056	3	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:B-4:H-1:H-1:	N-4:	N-4:	N(CCHH)(BH3)(H)2	H(NBCH)	H(NBCH)	N(CCHH)(BH3)(H)2	H(NBCH)	H(NBCH)	107.5680	0.102	2	107.5680	0.010	2	106.7458	1.498	4	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:B-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)(BC[6a]3)(H)2	H(NBCH)	H(NBCH)	N(CC[6a]CH)(BC[6a]3)(H)2	H(NBCH)	H(NBCH)	106.8670	0.000	1	106.8670	0.000	1	106.7458	1.498	4	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:B-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(BC[6a]3)(H)2	H(NBCH)	H(NBCH)	N(CC[6a]HH)(BC[6a]3)(H)2	H(NBCH)	H(NBCH)	104.9800	0.000	1	104.9800	0.000	1	106.7458	1.498	4	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC3)(CH3)(H)2	H(NCCH)	H(NCCH)	N(CC3)(CH3)(H)2	H(NCCH)	H(NCCH)	107.1660	0.000	1	107.1660	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC3)2(H)2	H(NCCH)	H(NCCH)	N(CC3)2(H)2	H(NCCH)	H(NCCH)	106.6650	1.695	4	106.6650	2.873	4	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCCH)(CC3)(H)2	H(NCCH)	H(NCCH)	N(CCCH)(CC3)(H)2	H(NCCH)	H(NCCH)	107.0430	0.188	2	107.0430	0.035	2	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCCH)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CCCH)(CCHH)(H)2	H(NCCH)	H(NCCH)	106.3951	2.952	75	106.3951	8.714	75	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCCH)(CH3)(H)2	H(NCCH)	H(NCCH)	N(CCCH)(CH3)(H)2	H(NCCH)	H(NCCH)	106.9292	3.895	65	106.9292	15.171	65	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCCH)(CHHP)(H)2	H(NCCH)	H(NCCH)	N(CCCH)(CHHP)(H)2	H(NCCH)	H(NCCH)	107.4066	0.054	8	107.4066	0.003	8	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCCH)(CHPP)(H)2	H(NCCH)	H(NCCH)	N(CCCH)(CHPP)(H)2	H(NCCH)	H(NCCH)	105.7920	2.608	2	105.7920	6.801	2	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCCH)2(H)2	H(NCCH)	H(NCCH)	N(CCCH)2(H)2	H(NCCH)	H(NCCH)	106.8763	1.930	80	106.8763	3.723	80	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCHH)(CC3)(H)2	H(NCCH)	H(NCCH)	N(CCHH)(CC3)(H)2	H(NCCH)	H(NCCH)	107.5184	4.714	52	107.5184	22.225	52	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCHH)(CCHP)(H)2	H(NCCH)	H(NCCH)	N(CCHH)(CCHP)(H)2	H(NCCH)	H(NCCH)	107.3820	0.000	1	107.3820	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCHH)(CD3)(H)2	H(NCCH)	H(NCCH)	N(CCHH)(CD3)(H)2	H(NCCH)	H(NCCH)	107.2740	0.000	1	107.2740	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCHH)(CH3)(H)2	H(NCCH)	H(NCCH)	N(CCHH)(CH3)(H)2	H(NCCH)	H(NCCH)	107.6738	3.010	121	107.6738	9.059	121	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCHH)(CHHP)(H)2	H(NCCH)	H(NCCH)	N(CCHH)(CHHP)(H)2	H(NCCH)	H(NCCH)	101.4760	0.000	1	101.4760	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCHH)(CHPP)(H)2	H(NCCH)	H(NCCH)	N(CCHH)(CHPP)(H)2	H(NCCH)	H(NCCH)	106.8087	0.670	3	106.8087	0.450	3	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCHH)2(H)2	H(NCCH)	H(NCCH)	N(CCHH)2(H)2	H(NCCH)	H(NCCH)	107.5711	2.908	448	107.5711	8.459	448	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5]CH)2(H)2	H(NCCH)	H(NCCH)	N(CC[5]CH)2(H)2	H(NCCH)	H(NCCH)	103.6060	0.000	1	103.6060	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5]HH)(CCCH)(H)2	H(NCCH)	H(NCCH)	N(CC[5]HH)(CCCH)(H)2	H(NCCH)	H(NCCH)	109.4000	0.000	1	109.4000	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5]HH)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[5]HH)(CCHH)(H)2	H(NCCH)	H(NCCH)	110.8557	3.261	3	110.8557	10.632	3	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5]HH)(CH3)(H)2	H(NCCH)	H(NCCH)	N(CC[5]HH)(CH3)(H)2	H(NCCH)	H(NCCH)	107.8777	0.141	13	107.8777	0.020	13	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5a]CH)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[5a]CH)(CCHH)(H)2	H(NCCH)	H(NCCH)	103.6280	4.537	2	103.6280	20.583	2	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5a]HH)(CC3)(H)2	H(NCCH)	H(NCCH)	N(CC[5a]HH)(CC3)(H)2	H(NCCH)	H(NCCH)	106.8323	0.472	3	106.8323	0.223	3	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5a]HH)(CCCH)(H)2	H(NCCH)	H(NCCH)	N(CC[5a]HH)(CCCH)(H)2	H(NCCH)	H(NCCH)	109.7377	4.056	3	109.7377	16.447	3	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5a]HH)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[5a]HH)(CCHH)(H)2	H(NCCH)	H(NCCH)	107.7036	0.256	7	107.7036	0.065	7	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5a]HH)(CC[5]HH)(H)2	H(NCCH)	H(NCCH)	N(CC[5a]HH)(CC[5]HH)(H)2	H(NCCH)	H(NCCH)	107.6430	0.000	1	107.6430	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5a]HH)(CC[6]HH)(H)2	H(NCCH)	H(NCCH)	N(CC[5a]HH)(CC[6]HH)(H)2	H(NCCH)	H(NCCH)	107.6440	0.000	1	107.6440	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[5a]HH)(CC[6a]HH)(H)2	H(NCCH)	H(NCCH)	N(CC[5a]HH)(CC[6a]HH)(H)2	H(NCCH)	H(NCCH)	105.6378	4.927	5	105.6378	24.280	5	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6,6]HH)(CC[6a]CH)(H)2	H(NCCH)	H(NCCH)	N(CC[6,6]HH)(CC[6a]CH)(H)2	H(NCCH)	H(NCCH)	107.6360	0.000	1	107.6360	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6]CH)(CC[6]HH)(H)2	H(NCCH)	H(NCCH)	N(CC[6]CH)(CC[6]HH)(H)2	H(NCCH)	H(NCCH)	108.2281	22.192	2	108.2281	492.468	2	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6]HH)(CC3)(H)2	H(NCCH)	H(NCCH)	N(CC[6]HH)(CC3)(H)2	H(NCCH)	H(NCCH)	113.3255	2.597	2	113.3255	6.745	2	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6]HH)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[6]HH)(CCHH)(H)2	H(NCCH)	H(NCCH)	107.5674	1.305	19	107.5674	1.703	19	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]2H)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]2H)(CCHH)(H)2	H(NCCH)	H(NCCH)	106.1207	1.960	3	106.1207	3.840	3	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]2H)(CH3)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]2H)(CH3)(H)2	H(NCCH)	H(NCCH)	107.8380	0.000	1	107.8380	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CC)(CH3)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]CC)(CH3)(H)2	H(NCCH)	H(NCCH)	107.0380	0.000	1	107.0380	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)(CCCH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]CH)(CCCH)(H)2	H(NCCH)	H(NCCH)	107.3420	0.000	1	107.3420	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)(CCCP)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]CH)(CCCP)(H)2	H(NCCH)	H(NCCH)	105.4650	0.000	1	105.4650	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]CH)(CCHH)(H)2	H(NCCH)	H(NCCH)	105.9060	3.194	3	105.9060	10.202	3	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)(CC[6a]HH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]CH)(CC[6a]HH)(H)2	H(NCCH)	H(NCCH)	108.5170	1.544	2	108.5170	2.385	2	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)(CH3)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]CH)(CH3)(H)2	H(NCCH)	H(NCCH)	107.3970	0.201	4	107.3970	0.040	4	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)2(H)2	H(NCCH)	H(NCCH)	N(CC[6a]CH)2(H)2	H(NCCH)	H(NCCH)	107.8163	2.135	11	107.8163	4.558	11	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CC3)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CC3)(H)2	H(NCCH)	H(NCCH)	106.9124	2.716	7	106.9124	7.378	7	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CCCH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	H(NCCH)	H(NCCH)	106.7856	1.974	28	106.7856	3.898	28	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	H(NCCH)	H(NCCH)	107.7710	2.126	246	107.7710	4.522	246	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CC[3]CH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CC[3]CH)(H)2	H(NCCH)	H(NCCH)	109.2110	2.284	2	109.2110	5.216	2	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CC[5]CH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CC[5]CH)(H)2	H(NCCH)	H(NCCH)	105.4667	7.153	3	105.4667	51.171	3	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CC[5]HH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CC[5]HH)(H)2	H(NCCH)	H(NCCH)	108.0190	0.616	37	108.0190	0.379	37	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CC[6]HH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CC[6]HH)(H)2	H(NCCH)	H(NCCH)	106.8305	1.712	4	106.8305	2.932	4	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CC[6a]HP)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CC[6a]HP)(H)2	H(NCCH)	H(NCCH)	106.1180	0.000	1	106.1180	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CH3)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CH3)(H)2	H(NCCH)	H(NCCH)	106.4149	2.491	14	106.4149	6.205	14	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CHHP)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CHHP)(H)2	H(NCCH)	H(NCCH)	104.3895	1.948	2	104.3895	3.795	2	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(CP[6]HH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)(CP[6]HH)(H)2	H(NCCH)	H(NCCH)	103.4807	3.238	3	103.4807	10.485	3	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)2(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HH)2(H)2	H(NCCH)	H(NCCH)	107.8136	2.326	51	107.8136	5.412	51	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]HP)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]HP)(CCHH)(H)2	H(NCCH)	H(NCCH)	109.3450	2.498	2	109.3450	6.238	2	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]PtH)(CCHH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]PtH)(CCHH)(H)2	H(NCCH)	H(NCCH)	107.3100	0.000	1	107.3100	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]PtH)(CC[6a]CH)(H)2	H(NCCH)	H(NCCH)	N(CC[6a]PtH)(CC[6a]CH)(H)2	H(NCCH)	H(NCCH)	117.3700	0.000	1	117.3700	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CCoCH)(CC3)(H)2	H(NCCH)	H(NCCH)	N(CCoCH)(CC3)(H)2	H(NCCH)	H(NCCH)	102.2370	0.000	1	102.2370	0.000	1	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CH3)2(H)2	H(NCCH)	H(NCCH)	N(CH3)2(H)2	H(NCCH)	H(NCCH)	107.8422	3.887	414	107.8422	15.110	414	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:H-1:	N-4:	N-4:	N(CHHP)2(H)2	H(NCCH)	H(NCCH)	N(CHHP)2(H)2	H(NCCH)	H(NCCH)	110.9220	3.184	12	110.9220	10.136	12	107.5594	9.930	1784	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:C[6]-4:H-1:H-1:	N-4:	N-4:	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	H(NC[6]CH)	H(NC[6]CH)	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	N-4:	N-4:	N(CCHH)(NH3)(H)2	H(NCHN)	H(NCHN)	N(CCHH)(NH3)(H)2	H(NCHN)	H(NCHN)	108.5290	0.000	1	108.5290	0.000	1	108.1447	0.111	3	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:N-4:H-1:H-1:	N-4:	N-4:	N(CLiCH)(NCHH)(H)2	H(NCHN)	H(NCHN)	N(CLiCH)(NCHH)(H)2	H(NCHN)	H(NCHN)	107.9525	0.028	2	107.9525	0.001	2	108.1447	0.111	3	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CC)(SC[6a]OO)(H)2	H(NCHS)	H(NCHS)	N(CC[6a]CC)(SC[6a]OO)(H)2	H(NCHS)	H(NCHS)	106.0940	0.000	1	106.0940	0.000	1	106.5157	0.136	3	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C-4:S-4:H-1:H-1:	N-4:	N-4:	N(CC[6a]CH)(SC[6a]OO)(H)2	H(NCHS)	H(NCHS)	N(CC[6a]CH)(SC[6a]OO)(H)2	H(NCHS)	H(NCHS)	106.7265	0.073	2	106.7265	0.005	2	106.5157	0.136	3	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[3x6]-4:B-4:H-1:H-1:	N-4:	N-4:	N(C[3x6]C[6,6]3)(BCHH)(H)2	H(NC[3x6]BH)	H(NC[3x6]BH)	N(C[3x6]C[6,6]3)(BCHH)(H)2	H(NC[3x6]BH)	H(NC[3x6]BH)	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[3x6]C[6,6]3)(CCHH)(H)2	H(NC[3x6]CH)	H(NC[3x6]CH)	N(C[3x6]C[6,6]3)(CCHH)(H)2	H(NC[3x6]CH)	H(NC[3x6]CH)	107.0810	0.023	2	107.0810	0.001	2	106.7922	58.051	12	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(NC[3x6]CH)	H(NC[3x6]CH)	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(NC[3x6]CH)	H(NC[3x6]CH)	104.4903	6.391	7	104.4903	40.842	7	106.7922	58.051	12	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[3x6]C[6,6]3)(CH3)(H)2	H(NC[3x6]CH)	H(NC[3x6]CH)	N(C[3x6]C[6,6]3)(CH3)(H)2	H(NC[3x6]CH)	H(NC[3x6]CH)	111.9707	11.743	3	111.9707	137.899	3	106.7922	58.051	12	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	H(NC[5,6]CH)	H(NC[5,6]CH)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	H(NC[5,6]CH)	H(NC[5,6]CH)	103.2690	0.000	1	103.2690	0.000	1	106.4966	13.748	5	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	H(NC[5,6]CH)	H(NC[5,6]CH)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	H(NC[5,6]CH)	H(NC[5,6]CH)	107.5325	0.469	2	107.5325	0.220	2	106.4966	13.748	5	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	H(NC[5,6]CH)	H(NC[5,6]CH)	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	H(NC[5,6]CH)	H(NC[5,6]CH)	107.0745	6.445	2	107.0745	41.542	2	106.4966	13.748	5	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2C)(CC[6]HH)(H)2	H(NC[5]CH)	H(NC[5]CH)	N(C[5]C[5]2C)(CC[6]HH)(H)2	H(NC[5]CH)	H(NC[5]CH)	107.5890	0.000	1	107.5890	0.000	1	100.7707	779.621	15	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2H)(CCCH)(H)2	H(NC[5]CH)	H(NC[5]CH)	N(C[5]C[5]2H)(CCCH)(H)2	H(NC[5]CH)	H(NC[5]CH)	113.6250	0.000	1	113.6250	0.000	1	100.7707	779.621	15	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2H)(CCHH)(H)2	H(NC[5]CH)	H(NC[5]CH)	N(C[5]C[5]2H)(CCHH)(H)2	H(NC[5]CH)	H(NC[5]CH)	107.5913	0.019	4	107.5913	0.000	4	100.7707	779.621	15	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2H)(CC[6a]3)(H)2	H(NC[5]CH)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]3)(H)2	H(NC[5]CH)	H(NC[5]CH)	0.0008	0.000	1	0.0008	0.000	1	100.7707	779.621	15	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2H)(CC[6a]CH)(H)2	H(NC[5]CH)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	H(NC[5]CH)	H(NC[5]CH)	107.3160	0.116	4	107.3160	0.013	4	100.7707	779.621	15	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)(H)2	H(NC[5]CH)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]HH)(H)2	H(NC[5]CH)	H(NC[5]CH)	107.6790	0.081	4	107.6790	0.007	4	100.7707	779.621	15	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	H(NC[6]CH)	H(NC[6]CH)	107.1430	0.000	1	107.1430	0.000	1	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(NC[6]CH)	H(NC[6]CH)	107.4310	0.000	1	107.4310	0.000	1	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	H(NC[6]CH)	H(NC[6]CH)	103.1060	0.000	1	103.1060	0.000	1	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	H(NC[6]CH)	H(NC[6]CH)	107.2610	0.314	2	107.2610	0.099	2	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(NC[6]CH)	H(NC[6]CH)	108.5930	1.295	2	108.5930	1.678	2	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2C)(CC[6a]HH)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6]2C)(CC[6a]HH)(H)2	H(NC[6]CH)	H(NC[6]CH)	105.6555	2.546	2	105.6555	6.484	2	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)(CCCH)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6]2H)(CCCH)(H)2	H(NC[6]CH)	H(NC[6]CH)	107.7530	0.852	4	107.7530	0.726	4	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)(CCHH)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6]2H)(CCHH)(H)2	H(NC[6]CH)	H(NC[6]CH)	106.8433	4.593	26	106.8433	21.099	26	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(NC[6]CH)	H(NC[6]CH)	107.6980	0.198	8	107.6980	0.039	8	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(NC[6]CH)	H(NC[6]CH)	105.6082	2.699	4	105.6082	7.283	4	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(NC[6]CH)	H(NC[6]CH)	107.5041	1.171	12	107.5041	1.371	12	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)(CH3)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6]2H)(CH3)(H)2	H(NC[6]CH)	H(NC[6]CH)	108.0584	2.165	8	108.0584	4.686	8	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6a]C[6]2)(CH3)(H)2	H(NC[6]CH)	H(NC[6]CH)	N(C[6]C[6a]C[6]2)(CH3)(H)2	H(NC[6]CH)	H(NC[6]CH)	106.5827	1.481	7	106.5827	2.193	7	107.1058	8.730	78	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)2(H)2	H(NC[6]2H)	H(NC[6]2H)	N(C[6]C[6]2H)2(H)2	H(NC[6]2H)	H(NC[6]2H)	107.8698	2.883	83	107.8698	8.312	83	107.8698	8.312	83	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	C[6]-4:S-4:H-1:H-1:	N-4:	N-4:	N(C[6]C[6]2H)(SO3)(H)2	H(NC[6]HS)	H(NC[6]HS)	N(C[6]C[6]2H)(SO3)(H)2	H(NC[6]HS)	H(NC[6]HS)	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	Ga-4:C-4:H-1:H-1:	N-4:	N-4:	N(GaCl3)(CCHH)(H)2	H(NGaCH)	H(NGaCH)	N(GaCl3)(CCHH)(H)2	H(NGaCH)	H(NGaCH)	107.2150	0.000	1	107.2150	0.000	1	107.7533	1.692	4	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	Ga-4:C-4:H-1:H-1:	N-4:	N-4:	N(GaH3)(CH3)(H)2	H(NGaCH)	H(NGaCH)	N(GaH3)(CH3)(H)2	H(NGaCH)	H(NGaCH)	109.4700	0.000	1	109.4700	0.000	1	107.7533	1.692	4	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	Ga-4:C-4:H-1:H-1:	N-4:	N-4:	N(GaHHN)(CC3)(H)2	H(NGaCH)	H(NGaCH)	N(GaHHN)(CC3)(H)2	H(NGaCH)	H(NGaCH)	107.1640	1.071	2	107.1640	1.146	2	107.7533	1.692	4	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:4:1:1:	4:	4:	In-4:C-4:H-1:H-1:	N-4:	N-4:	N(InTe2N)(CCHH)(H)2	H(NInCH)	H(NInCH)	N(InTe2N)(CCHH)(H)2	H(NInCH)	H(NInCH)	108.1435	0.110	2	108.1435	0.012	2	108.1435	0.012	2	107.4242	15.587	2081	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:6:1:1:	4:	4:	C-4:In-6:H-1:H-1:	N-4:	N-4:	N(CC[6a]HH)(InNNO3)(H)2	H(NInCH)	H(NInCH)	N(CC[6a]HH)(InNNO3)(H)2	H(NInCH)	H(NInCH)	106.6650	0.400	2	106.6650	0.160	2	106.6650	0.160	2	106.6650	0.160	2	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	5:1:1:1:	4:	4:	B[3,3,5,4x6]-5:H-1:H-1:H-1:	N-4:	N-4:	N(B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(H)3	H(NB[3,3,5,4x6]HH)	H(NB[3,3,5,4x6]HH)	N(B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(H)3	H(NB[3,3,5,4x6]HH)	H(NB[3,3,5,4x6]HH)	104.7862	5.032	4	104.7862	25.316	4	104.7862	25.316	4	104.7862	25.316	4	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	5:4:1:1:	4:	4:	B[3,3,5,3x6]-5:C-4:H-1:H-1:	N-4:	N-4:	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC[6a]HH)(H)2	H(NB[3,3,5,3x6]CH)	H(NB[3,3,5,3x6]CH)	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC[6a]HH)(H)2	H(NB[3,3,5,3x6]CH)	H(NB[3,3,5,3x6]CH)	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	105.7515	6.864	2	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	5:4:1:1:	4:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	N-4:	N-4:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	H(NC[3x3,3x5,12x6]CH)	H(NC[3x3,3x5,12x6]CH)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	H(NC[3x3,3x5,12x6]CH)	H(NC[3x3,3x5,12x6]CH)	103.8990	0.000	1	103.8990	0.000	1	103.8990	0.000	1	105.7515	6.864	2	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:1:1:1:	4:	4:	B[3x3,5,4x6]-6:H-1:H-1:H-1:	N-4:	N-4:	N(B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(H)3	H(NB[3x3,5,4x6]HH)	H(NB[3x3,5,4x6]HH)	N(B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(H)3	H(NB[3x3,5,4x6]HH)	H(NB[3x3,5,4x6]HH)	106.8300	5.203	3	106.8300	27.070	3	106.8300	27.070	3	107.2258	11.173	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:1:1:1:	4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	N-4:	N-4:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	H(NB[5x3,5x5,20x6]HH)	H(NB[5x3,5x5,20x6]HH)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	H(NB[5x3,5x5,20x6]HH)	H(NB[5x3,5x5,20x6]HH)	106.4690	0.997	3	106.4690	0.993	3	105.7033	2.036	6	107.2258	11.173	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:1:1:1:	4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	N-4:	N-4:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	H(NB[5x3,5x5,20x6]HH)	H(NB[5x3,5x5,20x6]HH)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	H(NB[5x3,5x5,20x6]HH)	H(NB[5x3,5x5,20x6]HH)	104.9377	1.529	3	104.9377	2.337	3	105.7033	2.036	6	107.2258	11.173	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:1:1:1:	4:	4:	Ga-6:H-1:H-1:H-1:	N-4:	N-4:	N(GaClN4)(H)3	H(NGaHH)	H(NGaHH)	N(GaClN4)(H)3	H(NGaHH)	H(NGaHH)	103.4036	7.270	2	103.4036	52.846	2	103.4036	52.846	2	107.2258	11.173	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:1:1:1:	4:	4:	In-6:H-1:H-1:H-1:	N-4:	N-4:	N(InCl2N3)(H)3	H(NInHH)	H(NInHH)	N(InCl2N3)(H)3	H(NInHH)	H(NInHH)	109.4658	0.031	5	109.4658	0.001	5	109.4715	0.001	8	107.2258	11.173	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:1:1:1:	4:	4:	In-6:H-1:H-1:H-1:	N-4:	N-4:	N(InCl4N)(H)3	H(NInHH)	H(NInHH)	N(InCl4N)(H)3	H(NInHH)	H(NInHH)	109.4810	0.036	3	109.4810	0.001	3	109.4715	0.001	8	107.2258	11.173	19	108.9139	14.400	23268	108.9139	14.400	23268
892	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:4:1:1:	4:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	N-4:	N-4:	N(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CC3)(H)2	H(NC[3x3,3x5,12x6]CH)	H(NC[3x3,3x5,12x6]CH)	N(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CC3)(H)2	H(NC[3x3,3x5,12x6]CH)	H(NC[3x3,3x5,12x6]CH)	102.1090	0.000	1	102.1090	0.000	1	102.1090	0.000	1	102.1090	0.000	1	108.9139	14.400	23268	108.9139	14.400	23268
892	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:1:	4:	4:1:1:1:	S-4:H-1:H-1:H-1:	N-4:	N-4:O-1:O-1:O-1:	N(SO3)(H)3	H(NHHS)	S(NH3)(O)3	N(SO3)(H)3	H(NHHS)	S(NH3)(O)3	109.5010	0.018	2	109.5010	0.000	2	109.5010	0.000	2	109.5010	0.000	2	106.9602	2.290	10	106.9602	2.290	10
892	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:1:	4:	3:4:1:1:	C-4:S-4:H-1:H-1:	N-4:	C[6a]-3:N-4:O-1:O-1:	N(CC[6a]CC)(SC[6a]OO)(H)2	H(NCHS)	S(C[6a]C[6a]2)(NCHH)(O)2	N(CC[6a]CC)(SC[6a]OO)(H)2	H(NCHS)	S(C[6a]C[6a]2)(NCHH)(O)2	105.6440	0.028	2	105.6440	0.001	2	106.5887	0.539	6	106.5887	0.539	6	106.9602	2.290	10	106.9602	2.290	10
892	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:1:	4:	3:4:1:1:	C-4:S-4:H-1:H-1:	N-4:	C[6a]-3:N-4:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(H)2	H(NCHS)	S(C[6a]C[6a]2)(NCHH)(O)2	N(CC[6a]CH)(SC[6a]OO)(H)2	H(NCHS)	S(C[6a]C[6a]2)(NCHH)(O)2	107.0610	0.078	4	107.0610	0.006	4	106.5887	0.539	6	106.5887	0.539	6	106.9602	2.290	10	106.9602	2.290	10
892	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:1:	4:	4:1:1:1:	C[6]-4:S-4:H-1:H-1:	N-4:	N-4:O-1:O-1:O-1:	N(C[6]C[6]2H)(SO3)(H)2	H(NC[6]HS)	S(NC[6]HH)(O)3	N(C[6]C[6]2H)(SO3)(H)2	H(NC[6]HS)	S(NC[6]HH)(O)3	105.5340	0.322	2	105.5340	0.104	2	105.5340	0.104	2	105.5340	0.104	2	106.9602	2.290	10	106.9602	2.290	10
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	3:3:4:	N-3:H-1:H-1:H-1:	N-4:	C[6a]-3:C[6a]-3:N-4:	N(NC[6a]2)(H)3	H(NHHN)	N(C[6a]C[6a]2)2(NH3)	N(NC[6a]2)(H)3	H(NHHN)	N(C[6a]C[6a]2)2(NH3)	112.9507	2.279	3	112.9507	5.194	3	112.9507	5.194	3	112.9507	5.194	3	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C-3:N-4:H-1:	N(NCH)(H)3	H(NHHN)	N(CC[5]O)(NH3)(H)	N(NCH)(H)3	H(NHHN)	N(CC[5]O)(NH3)(H)	109.7200	2.414	8	109.7200	5.826	8	109.4472	12.435	40	109.4304	11.040	52	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C-3:N-4:H-1:	N(NCH)(H)3	H(NHHN)	N(CC[5a]O)(NH3)(H)	N(NCH)(H)3	H(NHHN)	N(CC[5a]O)(NH3)(H)	109.4743	0.021	3	109.4743	0.000	3	109.4472	12.435	40	109.4304	11.040	52	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C-3:N-4:H-1:	N(NCH)(H)3	H(NHHN)	N(CC[6]O)(NH3)(H)	N(NCH)(H)3	H(NHHN)	N(CC[6]O)(NH3)(H)	109.3322	4.180	26	109.3322	17.474	26	109.4472	12.435	40	109.4304	11.040	52	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C-3:N-4:H-1:	N(NCH)(H)3	H(NHHN)	N(CC[6a]O)(NH3)(H)	N(NCH)(H)3	H(NHHN)	N(CC[6a]O)(NH3)(H)	109.6897	1.766	3	109.6897	3.120	3	109.4472	12.435	40	109.4304	11.040	52	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[5]-3:N-4:H-1:	N(NC[5]H)(H)3	H(NHHN)	N(C[5]C[5]N[5])(NH3)(H)	N(NC[5]H)(H)3	H(NHHN)	N(C[5]C[5]N[5])(NH3)(H)	109.5368	3.590	6	109.5368	12.885	6	109.5368	12.885	6	109.4304	11.040	52	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[5a]-3:N-4:H-1:	N(NC[5a]H)(H)3	H(NHHN)	N(C[5a]N[5a]2)(NH3)(H)	N(NC[5a]H)(H)3	H(NHHN)	N(C[5a]N[5a]2)(NH3)(H)	109.6340	1.600	3	109.6340	2.560	3	109.6340	2.560	3	109.4304	11.040	52	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[6a]-3:N-4:H-1:	N(NC[6a]H)(H)3	H(NHHN)	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	N(NC[6a]H)(H)3	H(NHHN)	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	108.7897	1.879	3	108.7897	3.530	3	108.7897	3.530	3	109.4304	11.040	52	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	4:3:1:	N-3:H-1:H-1:H-1:	N-4:	N-4:C-3:H-1:	N(NCH)(H)3	H(NHHN)	N(NH3)(CNN)(H)	N(NCH)(H)3	H(NHHN)	N(NH3)(CNN)(H)	110.4866	2.860	7	110.4866	8.178	7	109.7807	4.899	56	109.7807	4.899	56	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	4:3:1:	N-3:H-1:H-1:H-1:	N-4:	N-4:C-3:H-1:	N(NCH)(H)3	H(NHHN)	N(NH3)(CNO)(H)	N(NCH)(H)3	H(NHHN)	N(NH3)(CNO)(H)	109.8397	2.199	32	109.8397	4.835	32	109.7807	4.899	56	109.7807	4.899	56	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	4:3:1:	N-3:H-1:H-1:H-1:	N-4:	N-4:C-3:H-1:	N(NCH)(H)3	H(NHHN)	N(NH3)(CNS)(H)	N(NCH)(H)3	H(NHHN)	N(NH3)(CNS)(H)	109.3688	2.141	15	109.3688	4.583	15	109.7807	4.899	56	109.7807	4.899	56	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	4:3:1:	N-3:H-1:H-1:H-1:	N-4:	N-4:C-3:H-1:	N(NCH)(H)3	H(NHHN)	N(NH3)(COO)(H)	N(NCH)(H)3	H(NHHN)	N(NH3)(COO)(H)	109.4550	0.027	2	109.4550	0.001	2	109.7807	4.899	56	109.7807	4.899	56	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:1:	4:	4:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[5]-4:N-4:H-1:	N(NC[5]H)(H)3	H(NHHN)	N(C[5]C[5]2H)(NH3)(H)	N(NC[5]H)(H)3	H(NHHN)	N(C[5]C[5]2H)(NH3)(H)	109.4537	0.047	3	109.4537	0.002	3	109.4537	0.002	3	109.4537	0.002	3	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:1:	4:	3:4:1:	B-4:N-3:H-1:H-1:	N-4:	C-3:N-4:H-1:	N(BC[6a]3)(NCH)(H)2	H(NBHN)	N(CC[6a]O)(NBHH)(H)	N(BC[6a]3)(NCH)(H)2	H(NBHN)	N(CC[6a]O)(NBHH)(H)	106.2720	0.313	2	106.2720	0.098	2	106.2720	0.098	2	107.3100	4.128	4	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:1:	4:	3:4:1:	C-4:N-3:H-1:H-1:	N-4:	C-3:N-4:H-1:	N(CH3)(NCH)(H)2	H(NCHN)	N(CC[6]O)(NCHH)(H)	N(CH3)(NCH)(H)2	H(NCHN)	N(CC[6]O)(NCHH)(H)	108.3480	2.824	2	108.3480	7.976	2	108.3480	7.976	2	107.3100	4.128	4	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:1:	4:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:	N-4:H-1:H-1:	N(CH3)(NHH)(H)2	H(NCHN)	N(NCHH)(H)2	N(CH3)(NHH)(H)2	H(NCHN)	N(NCHH)(H)2	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	109.6057	7.750	119	109.6057	7.750	119
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	3:3:4:	N-3:H-1:H-1:H-1:	N-4:	C[6a]-3:C[6a]-3:N-4:	N(NC[6a]2)(H)3	H(NHHN)	N(C[6a]C[6a]2)2(NH3)	N(NC[6a]2)(H)3	H(NHHN)	N(C[6a]C[6a]2)2(NH3)	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C-3:N-4:H-1:	N(NCH)(H)3	H(NHHN)	N(CC[6]O)(NH3)(H)	N(NCH)(H)3	H(NHHN)	N(CC[6]O)(NH3)(H)	109.4575	3.158	6	109.4575	9.976	6	109.3116	11.351	12	109.7817	12.087	50	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C-3:N-4:H-1:	N(NCH)(H)3	H(NHHN)	N(CC[6a]O)(NH3)(H)	N(NCH)(H)3	H(NHHN)	N(CC[6a]O)(NH3)(H)	109.1657	3.866	6	109.1657	14.946	6	109.3116	11.351	12	109.7817	12.087	50	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[5]-3:N-4:H-1:	N(NC[5]H)(H)3	H(NHHN)	N(C[5]C[5]N[5])(NH3)(H)	N(NC[5]H)(H)3	H(NHHN)	N(C[5]C[5]N[5])(NH3)(H)	110.5118	4.240	8	110.5118	17.974	8	110.3414	16.639	11	109.7817	12.087	50	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[5]-3:N-4:H-1:	N(NC[5]H)(H)3	H(NHHN)	N(C[5]N[5]2)(NH3)(H)	N(NC[5]H)(H)3	H(NHHN)	N(C[5]N[5]2)(NH3)(H)	109.8870	4.456	3	109.8870	19.860	3	110.3414	16.639	11	109.7817	12.087	50	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[5a]-3:N-4:H-1:	N(NC[5a]H)(H)3	H(NHHN)	N(C[5a]N[5a]2)(NH3)(H)	N(NC[5a]H)(H)3	H(NHHN)	N(C[5a]N[5a]2)(NH3)(H)	110.3544	3.087	12	110.3544	9.532	12	110.3544	9.532	12	109.7817	12.087	50	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[6]-3:N-4:H-1:	N(NC[6]H)(H)3	H(NHHN)	N(C[6]C[6,6a]N[6])(NH3)(H)	N(NC[6]H)(H)3	H(NHHN)	N(C[6]C[6,6a]N[6])(NH3)(H)	112.1593	4.181	3	112.1593	17.478	3	110.8118	9.170	6	109.7817	12.087	50	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[6]-3:N-4:H-1:	N(NC[6]H)(H)3	H(NHHN)	N(C[6]C[6]N[6])(NH3)(H)	N(NC[6]H)(H)3	H(NHHN)	N(C[6]C[6]N[6])(NH3)(H)	109.4643	0.027	3	109.4643	0.001	3	110.8118	9.170	6	109.7817	12.087	50	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	3:4:1:	N-3:H-1:H-1:H-1:	N-4:	C[6a]-3:N-4:H-1:	N(NC[6a]H)(H)3	H(NHHN)	N(C[6a]C[6a]2)(NH3)(H)	N(NC[6a]H)(H)3	H(NHHN)	N(C[6a]C[6a]2)(NH3)(H)	108.2743	3.766	9	108.2743	14.179	9	108.2743	14.179	9	109.7817	12.087	50	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	4:1:1:	N-3:H-1:H-1:H-1:	N-4:	N-4:H-1:H-1:	N(NHH)(H)3	H(NHHN)	N(NH3)(H)2	N(NHH)(H)3	H(NHHN)	N(NH3)(H)2	109.4882	2.861	317	109.4882	8.184	317	109.4882	8.184	317	109.4882	8.184	317	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	4:3:1:	N-3:H-1:H-1:H-1:	N-4:	N-4:C-3:H-1:	N(NCH)(H)3	H(NHHN)	N(NH3)(CNN)(H)	N(NCH)(H)3	H(NHHN)	N(NH3)(CNN)(H)	107.7940	2.244	3	107.7940	5.037	3	108.7005	3.415	22	108.7005	3.415	22	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	4:3:1:	N-3:H-1:H-1:H-1:	N-4:	N-4:C-3:H-1:	N(NCH)(H)3	H(NHHN)	N(NH3)(CNO)(H)	N(NCH)(H)3	H(NHHN)	N(NH3)(CNO)(H)	108.8886	1.805	13	108.8886	3.256	13	108.7005	3.415	22	108.7005	3.415	22	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	4:3:1:	N-3:H-1:H-1:H-1:	N-4:	N-4:C-3:H-1:	N(NCH)(H)3	H(NHHN)	N(NH3)(CNS)(H)	N(NCH)(H)3	H(NHHN)	N(NH3)(CNS)(H)	108.7463	1.981	6	108.7463	3.926	6	108.7005	3.415	22	108.7005	3.415	22	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	4:4:4:	N-3:H-1:H-1:H-1:	N-4:	C-4:C-4:N-4:	N(NCC)(H)3	H(NHHN)	N(CC[6a]HH)2(NH3)	N(NCC)(H)3	H(NHHN)	N(CC[6a]HH)2(NH3)	110.3580	1.888	3	110.3580	3.565	3	109.9123	1.665	6	109.9123	1.665	6	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:1:	4:	4:4:4:	N-3:H-1:H-1:H-1:	N-4:	C-4:C-4:N-4:	N(NCC)(H)3	H(NHHN)	N(CH3)2(NH3)	N(NCC)(H)3	H(NHHN)	N(CH3)2(NH3)	109.4667	0.049	3	109.4667	0.002	3	109.9123	1.665	6	109.9123	1.665	6	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	3:4:4:1:	4:	4:4:1:	N-3:C-4:C-4:H-1:	N-4:	C[6]-4:N-4:H-1:	N(NC[6]H)(CH3)2(H)	H(NCCN)	N(C[6]C[6]2H)(NCCH)(H)	N(NC[6]H)(CH3)2(H)	H(NCCN)	N(C[6]C[6]2H)(NCCH)(H)	106.6420	0.000	1	106.6420	0.000	1	106.6420	0.000	1	106.6420	0.000	1	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:1:	4:	3:4:1:	C-4:N-3:H-1:H-1:	N-4:	C-3:N-4:H-1:	N(CC3)(NCH)(H)2	H(NCHN)	N(CC[6a]O)(NCHH)(H)	N(CC3)(NCH)(H)2	H(NCHN)	N(CC[6a]O)(NCHH)(H)	107.7310	4.944	2	107.7310	24.444	2	107.7310	24.444	2	107.7310	24.444	2	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:1:	4:	4:1:1:	B-4:N-3:H-1:H-1:	N-4:	N-4:H-1:H-1:	N(BC[6a]2C)(NHH)(H)2	H(NBHN)	N(NBHH)(H)2	N(BC[6a]2C)(NHH)(H)2	H(NBHN)	N(NBHH)(H)2	108.1856	2.560	8	108.1856	6.552	8	108.1502	6.334	10	108.5864	3.081	62	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:1:	4:	4:1:1:	B-4:N-3:H-1:H-1:	N-4:	N-4:H-1:H-1:	N(BH3)(NHH)(H)2	H(NBHN)	N(NBHH)(H)2	N(BH3)(NHH)(H)2	H(NBHN)	N(NBHH)(H)2	108.0085	3.330	2	108.0085	11.087	2	108.1502	6.334	10	108.5864	3.081	62	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:1:	4:	4:1:1:	B[6,6]-4:N-3:H-1:H-1:	N-4:	N-4:H-1:H-1:	N(B[6,6]C[6,6]2C)(NHH)(H)2	H(NB[6,6]HN)	N(NB[6,6]HH)(H)2	N(B[6,6]C[6,6]2C)(NHH)(H)2	H(NB[6,6]HN)	N(NB[6,6]HH)(H)2	107.8865	1.422	8	107.8865	2.021	8	107.8865	2.021	8	108.5864	3.081	62	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:1:	4:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:	N-4:H-1:H-1:	N(CC3)(NHH)(H)2	H(NCHN)	N(NCHH)(H)2	N(CC3)(NHH)(H)2	H(NCHN)	N(NCHH)(H)2	106.5540	1.445	2	106.5540	2.089	2	108.5790	1.352	42	108.5864	3.081	62	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:1:	4:	4:1:1:	C-4:N-3:H-1:H-1:	N-4:	N-4:H-1:H-1:	N(CH3)(NHH)(H)2	H(NCHN)	N(NCHH)(H)2	N(CH3)(NHH)(H)2	H(NCHN)	N(NCHH)(H)2	108.6803	1.071	40	108.6803	1.147	40	108.5790	1.352	42	108.5864	3.081	62	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:1:	4:	4:1:1:	C[6]-4:N-3:H-1:H-1:	N-4:	N-4:H-1:H-1:	N(C[6]C[6]2C)(NHH)(H)2	H(NC[6]HN)	N(NC[6]HH)(H)2	N(C[6]C[6]2C)(NHH)(H)2	H(NC[6]HN)	N(NC[6]HH)(H)2	113.7205	1.688	2	113.7205	2.849	2	113.7205	2.849	2	108.5864	3.081	62	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	4:4:3:1:	4:	4:1:1:	C-4:C-4:N-3:H-1:	N-4:	N-4:H-1:H-1:	N(CH3)2(NHH)(H)	H(NCCN)	N(NCCH)(H)2	N(CH3)2(NHH)(H)	H(NCCN)	N(NCCH)(H)2	106.9986	2.166	5	106.9986	4.692	5	106.9986	4.692	5	106.9986	4.692	5	109.3171	7.761	467	109.3171	7.761	467
892	951	956	0:SP3_SP-NON_SP3	N	H	N	4:4:3:1:	4:	4:4:1:	C-4:C-4:N-3:H-1:	N-4:	P-4:N-4:H-1:	N(CH3)2(NHP)(H)	H(NCCN)	N(PC[6a]2Ru)(NCCH)(H)	N(CH3)2(NHP)(H)	H(NCCN)	N(PC[6a]2Ru)(NCCH)(H)	104.3890	0.000	1	104.3890	0.000	1	104.3890	0.000	1	104.3890	0.000	1	109.3171	7.761	467	109.3171	7.761	467
892	951	983	0:SP3_SP-NON_SP1	N	H	C	2:1:1:1:	4:	4:1:	C-2:H-1:H-1:H-1:	N-4:	N-4:N-1:	N(CN)(H)3	H(NCHH)	C(NH3)(N)	N(CN)(H)3	H(NCHH)	C(NH3)(N)	109.5185	0.021	2	109.5185	0.000	2	109.5185	0.000	2	109.5185	0.000	2	108.4225	47.206	16	108.4225	47.206	16
892	951	983	0:SP3_SP-NON_SP1	N	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	N-4:	N-4:C-2:	N(CC)(H)3	H(NCHH)	C(NH3)(CC)	N(CC)(H)3	H(NCHH)	C(NH3)(CC)	104.4414	8.919	3	104.4414	79.546	3	106.9514	39.379	6	106.9514	39.379	6	108.4225	47.206	16	108.4225	47.206	16
892	951	983	0:SP3_SP-NON_SP1	N	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	N-4:	N-4:C-2:	N(CC)(H)3	H(NCHH)	C(NH3)(CN)	N(CC)(H)3	H(NCHH)	C(NH3)(CN)	109.4613	0.022	3	109.4613	0.001	3	106.9514	39.379	6	106.9514	39.379	6	108.4225	47.206	16	108.4225	47.206	16
892	951	983	0:SP3_SP-NON_SP1	N	H	C	2:2:1:1:	4:	4:4:	C-2:C-2:H-1:H-1:	N-4:	N-4:C-4:	N(CC)2(H)2	H(NCCH)	C(NCHH)(CH3)	N(CC)2(H)2	H(NCCH)	C(NCHH)(CH3)	110.3445	12.631	4	110.3445	159.551	4	110.3445	159.551	4	110.3445	159.551	4	108.4225	47.206	16	108.4225	47.206	16
892	951	983	0:SP3_SP-NON_SP1	N	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	N-4:	N-4:C-2:	N(CCHH)(CC)(H)2	H(NCCH)	C(NCHH)(CN)	N(CCHH)(CC)(H)2	H(NCCH)	C(NCHH)(CN)	107.4350	0.076	2	107.4350	0.006	2	107.4350	0.006	2	107.4350	0.006	2	108.4225	47.206	16	108.4225	47.206	16
892	951	983	0:SP3_SP-NON_SP1	N	H	C	4:2:1:1:	4:	4:4:	C-4:C-2:H-1:H-1:	N-4:	C-4:N-4:	N(CC[6a]HH)(CC)(H)2	H(NCCH)	C(CHHN)(NCHH)	N(CC[6a]HH)(CC)(H)2	H(NCCH)	C(CHHN)(NCHH)	108.8835	0.054	2	108.8835	0.003	2	108.8835	0.003	2	108.8835	0.003	2	108.4225	47.206	16	108.4225	47.206	16
892	951	984	0:SP3_SP-NON_SP-NON	N	H	Ga	4:1:1:1:	4:	4:3:3:3:	Ga-4:H-1:H-1:H-1:	N-4:	N-4:N-3:N-3:N-3:	N(GaN3)(H)3	H(NGaHH)	Ga(NH3)(NCS)3	N(GaN3)(H)3	H(NGaHH)	Ga(NH3)(NCS)3	109.7125	0.021	2	109.7125	0.000	2	109.7125	0.000	2	109.7125	0.000	2	107.1379	3.268	12	107.1379	3.268	12
892	951	984	0:SP3_SP-NON_SP-NON	N	H	Ga	4:4:1:1:	4:	4:1:1:1:	Ga-4:C-4:H-1:H-1:	N-4:	N-4:Cl-1:Cl-1:Cl-1:	N(GaCl3)(CCHH)(H)2	H(NGaCH)	Ga(NCHH)(Cl)3	N(GaCl3)(CCHH)(H)2	H(NGaCH)	Ga(NCHH)(Cl)3	107.9060	0.033	2	107.9060	0.001	2	107.9060	0.001	2	107.9108	0.001	4	107.1379	3.268	12	107.1379	3.268	12
892	951	984	0:SP3_SP-NON_SP-NON	N	H	Ga	4:4:1:1:	4:	4:1:1:1:	Ga-4:C-4:H-1:H-1:	N-4:	N-4:H-1:H-1:H-1:	N(GaH3)(CH3)(H)2	H(NGaCH)	Ga(NCHH)(H)3	N(GaH3)(CH3)(H)2	H(NGaCH)	Ga(NCHH)(H)3	107.9155	0.022	2	107.9155	0.000	2	107.9155	0.000	2	107.9108	0.001	4	107.1379	3.268	12	107.1379	3.268	12
892	951	984	0:SP3_SP-NON_SP-NON	N	H	Ga	4:4:1:1:	4:	4:4:1:1:	Ga-4:C-4:H-1:H-1:	N-4:	N-4:N-4:H-1:H-1:	N(GaHHN)(CC3)(H)2	H(NGaCH)	Ga(NCHH)2(H)2	N(GaHHN)(CC3)(H)2	H(NGaCH)	Ga(NCHH)2(H)2	105.0480	0.952	4	105.0480	0.906	4	105.0480	0.906	4	105.0480	0.906	4	107.1379	3.268	12	107.1379	3.268	12
892	951	984	0:SP3_SP-NON_SP-NON	N	H	Ga	4:4:4:1:	4:	4:1:1:1:	Ga-4:C-4:C-4:H-1:	N-4:	N-4:H-1:H-1:H-1:	N(GaH3)(CH3)2(H)	H(NGaCC)	Ga(NCCH)(H)3	N(GaH3)(CH3)2(H)	H(NGaCC)	Ga(NCCH)(H)3	107.1975	0.320	2	107.1975	0.103	2	107.1975	0.103	2	107.1975	0.103	2	107.1379	3.268	12	107.1379	3.268	12
892	983	983	0:SP3_SP1_SP1	N	C	C	2:2:1:1:	4:4:	4:4:	C-2:C-2:H-1:H-1:	N-4:C-4:	N-4:C-4:	N(CC)2(H)2	C(NCHH)(CH3)	C(NCHH)(CH3)	N(CC)2(H)2	C(NCHH)(CH3)	C(NCHH)(CH3)	111.0280	0.000	1	111.0280	0.000	1	111.0280	0.000	1	111.0280	0.000	1	110.2029	171.622	76	110.2029	171.622	76
892	983	983	0:SP3_SP1_SP1	N	C	C	2:2:2:2:	4:1:	4:1:	C-2:C-2:C-2:C-2:	N-4:C-1:	N-4:C-1:	N(CC)4	C(NC3)(C)	C(NC3)(C)	N(CC)4	C(NC3)(C)	C(NC3)(C)	108.2917	4.657	7	108.2917	21.690	7	108.2917	21.690	7	108.2917	21.690	7	110.2029	171.622	76	110.2029	171.622	76
892	983	983	0:SP3_SP1_SP1	N	C	C	2:2:2:2:	4:2:	4:1:	C-2:C-2:C-2:C-2:	N-4:C-2:	N-4:C-1:	N(CC)4	C(NC3)(CC)	C(NC3)(C)	N(CC)4	C(NC3)(CC)	C(NC3)(C)	112.8285	2.474	4	112.8285	6.123	4	112.8285	6.123	4	112.8285	6.123	4	110.2029	171.622	76	110.2029	171.622	76
892	983	983	0:SP3_SP1_SP1	N	C	C	2:2:2:2:	4:2:	4:2:	C-2:C-2:C-2:C-2:	N-4:C-2:	N-4:C-2:	N(CC)4	C(NC3)(CC)	C(NC3)(CC)	N(CC)4	C(NC3)(CC)	C(NC3)(CC)	109.9283	11.038	54	109.9283	121.832	54	109.9283	121.832	54	109.9283	121.832	54	110.2029	171.622	76	110.2029	171.622	76
892	983	983	0:SP3_SP1_SP1	N	C	C	2:2:2:2:	4:3:	4:3:	C-2:C-2:C-2:C-2:	N-4:C-3:	N-4:C-3:	N(CC)4	C(NC3)(CCO)	C(NC3)(CCO)	N(CC)4	C(NC3)(CCO)	C(NC3)(CCO)	112.9980	0.000	1	112.9980	0.000	1	108.9305	24.712	4	108.9305	24.712	4	110.2029	171.622	76	110.2029	171.622	76
892	983	983	0:SP3_SP1_SP1	N	C	C	2:2:2:2:	4:3:	4:3:	C-2:C-2:C-2:C-2:	N-4:C-3:	N-4:C-3:	N(CC)4	C(NC3)(CCO)	C(NC3)(CHH)	N(CC)4	C(NC3)(CCO)	C(NC3)(CHH)	110.3155	2.647	2	110.3155	7.005	2	108.9305	24.712	4	108.9305	24.712	4	110.2029	171.622	76	110.2029	171.622	76
892	983	983	0:SP3_SP1_SP1	N	C	C	2:2:2:2:	4:3:	4:3:	C-2:C-2:C-2:C-2:	N-4:C-3:	N-4:C-3:	N(CC)4	C(NC3)(CHH)	C(NC3)(CHH)	N(CC)4	C(NC3)(CHH)	C(NC3)(CHH)	102.0930	0.000	1	102.0930	0.000	1	108.9305	24.712	4	108.9305	24.712	4	110.2029	171.622	76	110.2029	171.622	76
892	983	983	0:SP3_SP1_SP1	N	C	C	2:2:2:2:	4:4:	4:4:	C-2:C-2:C-2:C-2:	C-4:N-4:	C-4:N-4:	N(CC)4	C(CH3)(NC3)	C(CH3)(NC3)	N(CC)4	C(CH3)(NC3)	C(CH3)(NC3)	119.9998	53.868	3	119.9998	2901.785	3	119.9998	2901.785	3	119.9998	2901.785	3	110.2029	171.622	76	110.2029	171.622	76
892	983	983	0:SP3_SP1_SP1	N	C	C	4:4:2:2:	4:4:	4:4:	C-4:C-4:C-2:C-2:	C-4:N-4:	C-4:N-4:	N(CCHH)2(CC)2	C(CCHH)(NC3)	C(CCHH)(NC3)	N(CCHH)2(CC)2	C(CCHH)(NC3)	C(CCHH)(NC3)	107.7277	2.966	3	107.7277	8.797	3	107.7277	8.797	3	107.7277	8.797	3	110.2029	171.622	76	110.2029	171.622	76
893	2	490	0:SP2_SP2_SP3	O	B[5,6,6]	C	3:4:	6:4:2:	2:1:1:1:	B[5,6,6]-3:C-4:	B[3x3,4x5,14x6]-6:C[5,3x6]-4:O-2:	O-2:H-1:H-1:H-1:	O(B[5,6,6]B[3x3,4x5,14x6]C[5,3x6])(CH3)	B[5,6,6](B[3x3,4x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,3x5,12x6]H)(C[5,3x6]B[3x3,4x5,15x6]C[6]H)(OC)	C(OB[5,6,6])(H)3	O(B[5,6,6]B[3x3,4x5,14x6]C[5,3x6])(CH3)	B[5,6,6](B[3x3,4x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,3x5,12x6]H)(C[5,3x6]B[3x3,4x5,15x6]C[6]H)(OC){1|C<4>,1|C<5>,4|B<6>,7|H<1>}	C(OB[5,6,6])(H)3	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	2:2:2:	2:4:4:4:	B[5]-3:C-4:	O[5]-2:O[5]-2:O-2:	O-2:C-4:C-4:C-4:	O(B[5]O[5]2)(CC3)	B[5](O[5]C[5])2(OC)	C(OB[5])(CCCO)(CH3)2	O(B[5]O[5]2)(CC3)	B[5](O[5]C[5])2(OC){4|C<4>}	C(OB[5])(CCCO)(CH3)2	124.6010	1.115	3	124.6010	1.244	3	124.6010	1.244	3	124.6010	1.244	3	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	2:2:2:	3:2:1:1:	B[5]-3:C-4:	O[5]-2:O[5]-2:O-2:	C[6a]-3:O-2:H-1:H-1:	O(B[5]O[5]2)(CC[6a]HH)	B[5](O[5]C[5])2(OC)	C(C[6a]C[6a,6a]2)(OB[5])(H)2	O(B[5]O[5]2)(CC[6a]HH)	B[5](O[5]C[5])2(OC){4|C<4>}	C(C[6a]C[6a,6a]2)(OB[5])(H)2	120.2420	0.000	1	120.2420	0.000	1	120.2420	0.000	1	119.4510	0.473	3	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	2:2:2:	3:2:1:1:	B[5]-3:C-4:	O[5]-2:O[5]-2:O-2:	N-3:O-2:H-1:H-1:	O(B[5]O[5]2)(CHHN)	B[5](O[5]C[5])2(OC)	C(NC[6a]B[5])(OB[5])(H)2	O(B[5]O[5]2)(CHHN)	B[5](O[5]C[5])2(OC){4|C<4>}	C(NC[6a]B[5])(OB[5])(H)2	119.0555	0.084	2	119.0555	0.007	2	119.0555	0.007	2	119.4510	0.473	3	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	2:2:2:	3:4:2:1:	B[5]-3:C-4:	O[5]-2:O[5]-2:O-2:	C[6a]-3:C-4:O-2:H-1:	O(B[5]O[5]2)(CC[6a]CH)	B[5](O[5]C[5])2(OC)	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	O(B[5]O[5]2)(CC[6a]CH)	B[5](O[5]C[5])2(OC){4|C<4>}	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	121.4025	0.350	2	121.4025	0.123	2	121.1583	0.240	3	121.1583	0.240	3	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	2:2:2:	3:4:2:1:	B[5]-3:C-4:	O[5]-2:O[5]-2:O-2:	C[6a]-3:C-4:O-2:H-1:	O(B[5]O[5]2)(CC[6a]CH)	B[5](O[5]C[5])2(OC)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	O(B[5]O[5]2)(CC[6a]CH)	B[5](O[5]C[5])2(OC){4|C<4>}	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	120.6700	0.000	1	120.6700	0.000	1	121.1583	0.240	3	121.1583	0.240	3	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	2:2:2:	3:4:4:2:	B[5]-3:C-4:	O[5]-2:O[5]-2:O-2:	C[6a]-3:P-4:P-4:O-2:	O(B[5]O[5]2)(CC[6a]PP)	B[5](O[5]C[5])2(OC)	C(C[6a]C[6a]2)(PC[6a]2Rh)2(OB[5])	O(B[5]O[5]2)(CC[6a]PP)	B[5](O[5]C[5])2(OC){4|C<4>}	C(C[6a]C[6a]2)(PC[6a]2Rh)2(OB[5])	124.2320	0.000	1	124.2320	0.000	1	124.2320	0.000	1	124.2320	0.000	1	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	2:2:2:	4:2:3:1:	B[5]-3:C-4:	O[5]-2:O[5]-2:O-2:	Si-4:O-2:C-3:H-1:	O(B[5]O[5]2)(CSiCH)	B[5](O[5]C[5])2(OC)	C(SiC[6a]CC)(OB[5])(CCH)(H)	O(B[5]O[5]2)(CSiCH)	B[5](O[5]C[5])2(OC){4|C<4>}	C(SiC[6a]CC)(OB[5])(CCH)(H)	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	3:3:2:	2:1:1:1:	B[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(B[5]C[5,6a]2)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])2(OC)	C(OB[5])(H)3	O(B[5]C[5,6a]2)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])2(OC){2|H<1>,4|C<3>}	C(OB[5])(H)3	122.5825	1.076	2	122.5825	1.157	2	122.5825	1.157	2	122.5825	1.157	2	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	3:3:2:	3:2:1:1:	B[5]-3:C-4:	N[5]-3:N[5]-3:O-2:	C[6a]-3:O-2:H-1:H-1:	O(B[5]N[5]2)(CC[6a]HH)	B[5](N[5]C[6a]C[5])2(OC)	C(C[6a]C[6a]2)(OB[5])(H)2	O(B[5]N[5]2)(CC[6a]HH)	B[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OB[5])(H)2	121.9680	0.000	1	121.9680	0.000	1	121.9680	0.000	1	121.9680	0.000	1	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	3:3:2:	3:3:2:3:	B[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:P-3:	O(B[5]C[5,6a]2)(CC[6a]2P)	B[5](C[5,6a]C[5,6a]C[6a])2(OC)	C(C[6a]C[6a]2)2(OB[5])(PCC)	O(B[5]C[5,6a]2)(CC[6a]2P)	B[5](C[5,6a]C[5,6a]C[6a])2(OC){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)2(OB[5])(PCC)	131.1630	0.000	1	131.1630	0.000	1	131.1630	0.000	1	131.1630	0.000	1	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	3:4:2:	2:1:1:1:	B[5]-3:C-4:	N[5]-3:C[5]-4:O-2:	O-2:H-1:H-1:H-1:	O(B[5]C[5]N[5])(CH3)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C(OB[5])(H)3	O(B[5]C[5]N[5])(CH3)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<3>,1|H<1>,2|C<3>}	C(OB[5])(H)3	126.3320	0.000	1	128.2728	5.425	4	128.2728	5.425	4	128.2728	5.425	4	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	3:4:2:	2:1:1:1:	B[5]-3:C-4:	N[5]-3:C[5]-4:O-2:	O-2:H-1:H-1:H-1:	O(B[5]C[5]N[5])(CH3)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C(OB[5])(H)3	O(B[5]C[5]N[5])(CH3)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<3>,2|C<3>,2|H<1>}	C(OB[5])(H)3	131.5550	0.000	1	128.2728	5.425	4	128.2728	5.425	4	128.2728	5.425	4	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	3:4:2:	2:1:1:1:	B[5]-3:C-4:	N[5]-3:C[5]-4:O-2:	O-2:H-1:H-1:H-1:	O(B[5]C[5]N[5])(CH3)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC)	C(OB[5])(H)3	O(B[5]C[5]N[5])(CH3)	B[5](N[5]C[6a]C[5])(C[5]C[5]Si2)(OC){1|B<4>,2|C<3>,2|H<1>}	C(OB[5])(H)3	127.6020	0.914	2	128.2728	5.425	4	128.2728	5.425	4	128.2728	5.425	4	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	3:4:	4:4:2:	2:4:4:4:	B[5]-3:C-4:	Si[5]-4:C[5]-4:O-2:	O-2:C-4:C-4:C-4:	O(B[5]Si[5]C[5])(CC3)	B[5](Si[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Si2)(OC)	C(OB[5])(CCCO)(CH3)2	O(B[5]Si[5]C[5])(CC3)	B[5](Si[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Si2)(OC){4|C<3>}	C(OB[5])(CCCO)(CH3)2	126.7180	0.000	1	126.7180	0.000	1	126.7180	0.000	1	126.7180	0.000	1	123.5942	15.588	21	123.6895	15.045	22
893	2	490	0:SP2_SP2_SP3	O	B[5]	C	4:3:	2:2:2:	3:3:2:1:	C-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[6a]-3:B[5]-3:O-2:H-1:	O(CC[6a]B[5]H)(B[5]O[5]2)	B[5](O[5]C[5])2(OC)	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	O(CC[6a]B[5]H)(B[5]O[5]2)	B[5](O[5]C[5])2(OC){4|C<4>}	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	123.5942	15.588	21	123.6895	15.045	22
893	2	786	0:SP2_SP2_SP3	O	B[5]	B[5]	4:3:	2:2:2:	3:2:2:2:	B[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[4]-3:O[5]-2:O[5]-2:O-2:	O(B[5]C[4]O[5]2)(B[5]O[5]2)	B[5](O[5]C[5])2(OB[5])	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5])	O(B[5]C[4]O[5]2)(B[5]O[5]2)	B[5](O[5]C[5])2(OB[5]){4|C<4>}	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5]){2|N<3>,5|C<4>}	130.8790	0.000	1	130.8790	0.000	1	130.8790	0.000	1	130.8790	0.000	1	130.8790	0.000	1	130.8790	0.000	1
893	2	811	0:SP2_SP2_SP3	O	B[5]	B[6a]	4:3:	2:2:2:	3:3:3:2:	B[6a]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(B[5]O[5]2)	B[5](O[5]C[5])2(OB[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	O(B[6a]C[5a,6a]N[5a,6a]C[6a])(B[5]O[5]2)	B[5](O[5]C[5])2(OB[6a]){4|C<4>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	133.9710	0.000	1	133.9710	0.000	1	133.9710	0.000	1	133.9710	0.000	1	133.9710	0.000	1	133.9710	0.000	1
893	2	880	0:SP2_SP2_SP3	O	B[5]	Si	3:4:	2:2:2:	3:3:3:2:	B[5]-3:Si-4:	O[5]-2:O[5]-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(B[5]O[5]2)(SiC[6a]3)	B[5](O[5]C[5])2(OSi)	Si(C[6a]C[6a]2)3(OB[5])	O(B[5]O[5]2)(SiC[6a]3)	B[5](O[5]C[5])2(OSi){4|C<4>}	Si(C[6a]C[6a]2)3(OB[5])	134.7310	0.000	1	134.7310	0.000	1	134.7310	0.000	1	134.7310	0.000	1	134.2360	0.490	2	134.2360	0.490	2
893	2	880	0:SP2_SP2_SP3	O	B[5]	Si	3:4:	2:2:2:	4:2:4:4:	B[5]-3:Si-4:	O[5]-2:O[5]-2:O-2:	C[5]-4:O-2:C-4:C-4:	O(B[5]O[5]2)(SiC[5]CC)	B[5](O[5]C[5])2(OSi)	Si(C[5]C[5]2Fe)(OB[5])(CH3)2	O(B[5]O[5]2)(SiC[5]CC)	B[5](O[5]C[5])2(OSi){4|C<4>}	Si(C[5]C[5]2Fe)(OB[5])(CH3)2	133.7410	0.000	1	133.7410	0.000	1	133.7410	0.000	1	133.7410	0.000	1	134.2360	0.490	2	134.2360	0.490	2
893	2	930	0:SP2_SP2_SP2	O	B[5]	C	3:3:	2:2:2:	3:2:3:	B[5]-3:C-3:	O[5]-2:O[5]-2:O-2:	P-3:O-2:C-3:	O(B[5]O[5]2)(CCP)	B[5](O[5]C[5])2(OC)	C(PC[6a]2)(OB[5])(CCH)	O(B[5]O[5]2)(CCP)	B[5](O[5]C[5])2(OC){4|C<4>}	C(PC[6a]2)(OB[5])(CCH)	122.8275	1.265	2	122.8275	1.600	2	122.8275	1.600	2	122.8275	1.600	2	122.8275	1.600	2	122.8275	1.600	2
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	2:3:2:	2:	B[5]-3:H-1:	O[5]-2:C[5]-3:O-2:	O-2:	O(B[5]C[5]O[5])(H)	B[5](O[5]C[5,6,6])(C[5]C[5,6]C)(OH)	H(OB[5])	O(B[5]C[5]O[5])(H)	B[5](O[5]C[5,6,6])(C[5]C[5,6]C)(OH){1|H<1>,3|C<4>}	H(OB[5])	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5a])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5a])(OH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(OB[5])	112.2170	0.000	1	112.2170	0.000	1	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,6])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,6])(OH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(OB[5])	113.3105	0.244	2	113.3105	0.060	2	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OH){1|F<1>,1|O<2>,1|O<3>,2|C<3>}	H(OB[5])	115.9160	0.000	1	115.9160	0.000	1	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	H(OB[5])	109.5005	0.008	2	110.6087	5.099	9	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){2|C<3>,3|H<1>}	H(OB[5])	110.4070	2.296	6	110.6087	5.099	9	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){2|H<1>,3|C<3>}	H(OB[5])	114.0350	0.000	1	110.6087	5.099	9	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH){1|Cl<1>,1|F<1>,2|C<3>}	H(OB[5])	112.3415	3.559	2	113.2302	20.595	5	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH){1|F<1>,1|O<2>,2|C<3>}	H(OB[5])	113.7375	8.188	2	113.2302	20.595	5	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH){1|H<1>,1|O<2>,2|C<3>}	H(OB[5])	113.9930	0.000	1	113.2302	20.595	5	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(OH)	H(OB[5])	O(B[5]C[5,6a]O[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(OH){1|F<1>,2|C<3>,2|C<4>}	H(OB[5])	109.4620	0.000	1	109.4620	0.000	1	111.8866	9.624	19	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	3:2:2:	2:	B[5]-3:H-1:	C[5]-3:O[5]-2:O-2:	O-2:	O(B[5]C[5]O[5])(H)	B[5](C[5]C[6a]C[5])(O[5]C[5])(OH)	H(OB[5])	O(B[5]C[5]O[5])(H)	B[5](C[5]C[6a]C[5])(O[5]C[5])(OH){1|C<2>,2|C<3>,2|C<4>}	H(OB[5])	99.8525	0.000	1	99.8525	0.000	1	99.8525	0.000	1	111.2849	16.359	20	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	4:2:2:	2:	B[5]-3:H-1:	C[5]-4:O[5]-2:O-2:	O-2:	O(B[5]C[5]O[5])(H)	B[5](C[5]C[4,5]HH)(O[5]C[4,5])(OH)	H(OB[5])	O(B[5]C[5]O[5])(H)	B[5](C[5]C[4,5]HH)(O[5]C[4,5])(OH){1|C<3>,1|H<1>,2|C<4>}	H(OB[5])	109.4710	0.000	1	109.4710	0.000	1	111.6177	13.915	3	111.6177	13.915	3	111.2493	14.886	24	111.2493	14.886	24
893	2	951	0:SP2_SP-NON_SP2	O	B[5]	H	3:1:	4:2:2:	2:	B[5]-3:H-1:	C[5]-4:O[5]-2:O-2:	O-2:	O(B[5]C[5]O[5])(H)	B[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)	H(OB[5])	O(B[5]C[5]O[5])(H)	B[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH){1|H<1>,3|C<4>}	H(OB[5])	112.6910	4.574	2	112.6910	20.918	2	111.6177	13.915	3	111.6177	13.915	3	111.2493	14.886	24	111.2493	14.886	24
893	3	3	0:SP2_SP2_SP2	O	B[5a]	B[5a]	3:3:	3:3:2:	3:3:2:	B[5a]-3:B[5a]-3:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:N[5a]-3:O-2:	O(B[5a]N[5a]2)2	B[5a](N[5a]C[5a,6a]C[6a])2(OB[5a])	B[5a](N[5a]C[5a,6a]C[6a])2(OB[5a])	O(B[5a]N[5a]2)2	B[5a](N[5a]C[5a,6a]C[6a])2(OB[5a]){6|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(OB[5a]){6|C<3>}	132.7480	0.000	1	132.7480	0.000	1	133.7485	2.002	2	133.7485	2.002	2	133.7485	2.002	2	133.7485	2.002	2
893	3	3	0:SP2_SP2_SP2	O	B[5a]	B[5a]	3:3:	3:3:2:	3:3:2:	B[5a]-3:B[5a]-3:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:N[5a]-3:O-2:	O(B[5a]N[5a]2)2	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a])	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a])	O(B[5a]N[5a]2)2	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a]){3|C<3>}	B[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(OB[5a]){3|C<3>}	134.7490	0.000	1	134.7490	0.000	1	133.7485	2.002	2	133.7485	2.002	2	133.7485	2.002	2	133.7485	2.002	2
893	3	490	0:SP2_SP2_SP3	O	B[5a]	C	3:4:	2:2:2:	3:3:3:2:	B[5a]-3:C-4:	O[5a]-2:O[5a]-2:O-2:	C[6a]-3:P-3:P-3:O-2:	O(B[5a]O[5a]2)(CC[6a]PP)	B[5a](O[5a]C[5a,6a])2(OC)	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	O(B[5a]O[5a]2)(CC[6a]PP)	B[5a](O[5a]C[5a,6a])2(OC){2|C<3>}	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	132.2810	0.000	1	132.2810	0.000	1	132.2810	0.000	1	132.2810	0.000	1	127.9915	36.800	2	127.9915	36.800	2
893	3	490	0:SP2_SP2_SP3	O	B[5a]	C	3:4:	3:3:2:	3:2:1:1:	B[5a]-3:C-4:	N[5a]-3:N[5a]-3:O-2:	C[6a]-3:O-2:H-1:H-1:	O(B[5a]N[5a]2)(CC[6a]HH)	B[5a](N[5a]C[5a]C[6a])2(OC)	C(C[6a]C[6a]2)(OB[5a])(H)2	O(B[5a]N[5a]2)(CC[6a]HH)	B[5a](N[5a]C[5a]C[6a])2(OC){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OB[5a])(H)2	123.7020	0.000	1	123.7020	0.000	1	123.7020	0.000	1	123.7020	0.000	1	127.9915	36.800	2	127.9915	36.800	2
893	3	945	0:SP2_SP2_SP3	O	B[5a]	P	3:3:	2:2:2:	3:3:2:	B[5a]-3:P-3:	O[5a]-2:O[5a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(B[5a]O[5a]2)(PC[6a]2)	B[5a](O[5a]C[5a,6a])2(OP)	P(C[6a]C[6a]2)2(OB[5a])	O(B[5a]O[5a]2)(PC[6a]2)	B[5a](O[5a]C[5a,6a])2(OP){2|C<3>}	P(C[6a]C[6a]2)2(OB[5a])	124.8400	0.000	1	124.8400	0.000	1	124.8400	0.000	1	124.8400	0.000	1	124.8400	0.000	1	124.8400	0.000	1
893	6	952	0:SP3_SP3_SP3	O	As[4]	S	3:4:	3:3:2:	2:4:1:1:	As[4]-3:S-4:	N[4]-3:N[4]-3:O-2:	O-2:C-4:O-1:O-1:	O(As[4]N[4]2)(SCOO)	As[4](N[4]As[4]C[6a])2(OS)	S(OAs[4])(CF3)(O)2	O(As[4]N[4]2)(SCOO)	As[4](N[4]As[4]C[6a])2(OS){1|O<2>,4|C<3>}	S(OAs[4])(CF3)(O)2	122.0230	0.054	2	122.0230	0.003	2	122.0230	0.003	2	122.0230	0.003	2	122.0230	0.003	2	122.0230	0.003	2
893	14	490	0:SP3_SP3_SP3	O	P[6,6]	C	3:4:	4:4:2:	3:2:1:1:	P[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(P[6,6]C[3x6]2)(CC[6a]HH)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(OC)	C(C[6a]C[6a]2)(OP[6,6])(H)2	O(P[6,6]C[3x6]2)(CC[6a]HH)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(OC){2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OP[6,6])(H)2	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1
893	14	643	0:SP2_SP2_SP3	O	P[6]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:P[6]-3:	O[6]-2:O[6]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(P[6]O[6]2)	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	O(C[6a]C[6a]2)(P[6]O[6]2)	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a]){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	117.8965	1.653	2	117.8965	2.731	2	118.9367	4.611	3	118.9367	4.611	3	119.1390	3.261	13	119.1390	3.261	13
893	14	643	0:SP2_SP2_SP3	O	P[6]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:P[6]-3:	O[6]-2:O[6]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(P[6]O[6]2)	P[6](O[6]C[6])2(OC[6a])	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP[6])	O(C[6a]C[6a]2)(P[6]O[6]2)	P[6](O[6]C[6])2(OC[6a]){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OP[6]){1|H<1>,2|C<3>}	121.0170	0.000	1	121.0170	0.000	1	118.9367	4.611	3	118.9367	4.611	3	119.1390	3.261	13	119.1390	3.261	13
893	14	643	0:SP2_SP2_SP3	O	P[6]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:P[6]-3:	N[6]-3:N[6]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a])	C[6a](C[6a]C[6a]C)2(OP[6])	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a]){1|N<3>,2|O<2>}	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	119.9695	1.104	4	119.9695	1.219	4	119.9695	1.219	4	119.9695	1.219	4	119.1390	3.261	13	119.1390	3.261	13
893	14	643	0:SP2_SP2_SP3	O	P[6]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[6]-3:	N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(OP[6])	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[5,6,6]C)(N[6]P[6,6]C)(OC[6a]){1|O<1>,2|O<2>,3|N<3>}	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	119.0100	4.134	2	119.0100	17.088	2	118.6865	4.428	6	118.6865	4.428	6	119.1390	3.261	13	119.1390	3.261	13
893	14	643	0:SP2_SP2_SP3	O	P[6]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[6]-3:	N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[6]C)2(OC[6a])	C[6a](C[6a]C[6a]C)2(OP[6])	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[6]C)2(OC[6a]){1|N<2>,2|O<2>}	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	119.4445	1.160	2	118.5247	1.579	4	118.6865	4.428	6	118.6865	4.428	6	119.1390	3.261	13	119.1390	3.261	13
893	14	643	0:SP2_SP2_SP3	O	P[6]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[6]-3:	N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[6]C)2(OC[6a])	C[6a](C[6a]C[6a]C)2(OP[6])	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[6]C)2(OC[6a]){1|N<3>,2|O<2>}	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	117.5480	0.000	1	118.5247	1.579	4	118.6865	4.428	6	118.6865	4.428	6	119.1390	3.261	13	119.1390	3.261	13
893	14	643	0:SP2_SP2_SP3	O	P[6]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[6]-3:	N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[6]C)2(OC[6a])	C[6a](C[6a]C[6a]C)2(OP[6])	O(C[6a]C[6a]2)(P[6]N[6]2)	P[6](N[6]P[6]C)2(OC[6a]){2|Se<1>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	117.6620	0.000	1	118.5247	1.579	4	118.6865	4.428	6	118.6865	4.428	6	119.1390	3.261	13	119.1390	3.261	13
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,3x5,11x6]	C	6:4:	6:6:5:5:6:2:	2:1:1:1:	B[5x3,3x5,11x6]-6:C-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:B[5x3,5x5,5x6]-6:O-2:	O-2:H-1:H-1:H-1:	O(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CH3)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(OC)	C(OB[5x3,3x5,11x6])(H)3	O(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CH3)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(OC){1|B<5>,5|H<1>}	C(OB[5x3,3x5,11x6])(H)3	120.0840	0.000	1	121.2167	1.083	3	121.2167	1.083	3	121.2167	1.083	3	121.2167	1.083	3	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,3x5,11x6]	C	6:4:	6:6:5:5:6:2:	2:1:1:1:	B[5x3,3x5,11x6]-6:C-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:B[5x3,5x5,5x6]-6:O-2:	O-2:H-1:H-1:H-1:	O(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CH3)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(OC)	C(OB[5x3,3x5,11x6])(H)3	O(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CH3)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(OC){1|B<6>,4|H<1>}	C(OB[5x3,3x5,11x6])(H)3	121.7830	0.491	2	121.2167	1.083	3	121.2167	1.083	3	121.2167	1.083	3	121.2167	1.083	3	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:1:1:1:	B[5x3,5x5,20x6]-6:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	O-2:H-1:H-1:H-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OB[5x3,5x5,20x6])(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,5|H<1>}	C(OB[5x3,5x5,20x6])(H)3	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	122.5998	8.918	9	123.6616	11.335	16	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:1:1:1:	B[5x3,5x5,20x6]-6:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:H-1:H-1:H-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OB[5x3,5x5,20x6])(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,1|O<2>,4|H<1>}	C(OB[5x3,5x5,20x6])(H)3	123.8980	1.124	2	122.9612	1.784	4	122.9612	1.784	4	122.5998	8.918	9	123.6616	11.335	16	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:1:1:1:	B[5x3,5x5,20x6]-6:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:H-1:H-1:H-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OB[5x3,5x5,20x6])(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,5|H<1>}	C(OB[5x3,5x5,20x6])(H)3	122.0245	0.760	2	122.9612	1.784	4	122.9612	1.784	4	122.5998	8.918	9	123.6616	11.335	16	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:1:1:1:	B[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:H-1:H-1:H-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Se)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OB[5x3,5x5,20x6])(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Se)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,1|O<2>,4|H<1>}	C(OB[5x3,5x5,20x6])(H)3	122.5837	5.258	3	122.9490	18.966	4	122.9490	18.966	4	122.5998	8.918	9	123.6616	11.335	16	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:1:1:1:	B[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:H-1:H-1:H-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Se)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OB[5x3,5x5,20x6])(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Se)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,5|H<1>}	C(OB[5x3,5x5,20x6])(H)3	124.0450	0.000	1	122.9490	18.966	4	122.9490	18.966	4	122.5998	8.918	9	123.6616	11.335	16	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:4:1:1:	B[5x3,5x5,20x6]-6:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:H-1:H-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Br)5(OC)	C(OB[5x3,5x5,20x6])(CCHH)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Br)5(OC){5|Br<1>,1|B<6>}	C(OB[5x3,5x5,20x6])(CCHH)(H)2	126.1000	0.000	1	126.1000	0.000	1	125.1630	1.756	2	122.9755	8.327	4	123.6616	11.335	16	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:4:1:1:	B[5x3,5x5,20x6]-6:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:H-1:H-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(OC)	C(OB[5x3,5x5,20x6])(CCHH)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(OC){5|Cl<1>,1|B<6>}	C(OB[5x3,5x5,20x6])(CCHH)(H)2	124.2260	0.000	1	124.2260	0.000	1	125.1630	1.756	2	122.9755	8.327	4	123.6616	11.335	16	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:4:1:1:	B[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:H-1:H-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCHH)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Se)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OB[5x3,5x5,20x6])(CH3)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCHH)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Se)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,1|O<2>,4|H<1>}	C(OB[5x3,5x5,20x6])(CH3)(H)2	120.7880	2.021	2	120.7880	4.084	2	120.7880	4.084	2	122.9755	8.327	4	123.6616	11.335	16	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:4:4:4:	B[5x3,5x5,20x6]-6:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:C-4:C-4:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OC)	C(OB[5x3,5x5,20x6])(CH3)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OC){1|B<6>,1|C<4>,4|H<1>}	C(OB[5x3,5x5,20x6])(CH3)3	130.4990	0.000	1	130.4990	0.000	1	127.7620	5.618	3	127.7620	5.618	3	123.6616	11.335	16	123.2756	10.405	19
893	18	490	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:4:4:4:	B[5x3,5x5,20x6]-6:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:C-4:C-4:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OC)	C(OB[5x3,5x5,20x6])(CH3)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC3)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OC){1|B<6>,1|C<3>,4|H<1>}	C(OB[5x3,5x5,20x6])(CH3)3	126.3935	0.006	2	126.3935	0.000	2	127.7620	5.618	3	127.7620	5.618	3	123.6616	11.335	16	123.2756	10.405	19
893	18	643	0:SP2_SP2_SPD6	O	B[5x3,4x5,17x6]	C[6a]	6:3:	6:6:6:6:5:2:	2:3:3:	B[5x3,4x5,17x6]-6:C[6a]-3:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:O-2:	O-2:C[6a]-3:C[6a]-3:	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]2)	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]O)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(OC[6a])	C[6a](OB[5x3,4x5,17x6])(C[6a]C[6a]H)2	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]2)	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]O)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(OC[6a]){1|B<6>,1|C<4>,4|H<1>}	C[6a](OB[5x3,4x5,17x6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	119.9125	0.730	2	122.2952	13.042	4	122.2952	13.042	4	122.2952	13.042	4	122.2952	13.042	4	121.4401	8.785	19
893	18	643	0:SP2_SP2_SPD6	O	B[5x3,4x5,17x6]	C[6a]	6:3:	6:6:6:6:5:2:	2:3:3:	B[5x3,4x5,17x6]-6:C[6a]-3:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:O-2:	O-2:C[6a]-3:C[6a]-3:	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]2)	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]O)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(OC[6a])	C[6a](OB[5x3,4x5,17x6])(C[6a]C[6a]H)2	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]2)	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]O)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(OC[6a]){1|B<6>,1|C<4>,4|H<1>}	C[6a](OB[5x3,4x5,17x6])(C[6a]C[6a]H)2{1|C<3>,2|O<2>}	124.6780	3.985	2	122.2952	13.042	4	122.2952	13.042	4	122.2952	13.042	4	122.2952	13.042	4	121.4401	8.785	19
893	18	643	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C[6a]-3:C[6a]-3:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(OC[6a])	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(OC[6a]){1|B<6>,5|H<1>}	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	120.8300	0.864	2	120.8300	0.747	2	120.8300	0.747	2	121.2121	8.236	15	121.2121	8.236	15	121.4401	8.785	19
893	18	643	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	O-2:C[6a]-3:C[6a]-3:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC[6a])	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC[6a]){1|B<6>,5|H<1>}	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	120.1006	0.425	5	120.1006	0.180	5	121.1710	7.729	7	121.2121	8.236	15	121.2121	8.236	15	121.4401	8.785	19
893	18	643	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	O-2:C[6a]-3:C[6a]-3:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC[6a])	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC[6a]){1|C<6>,5|H<1>}	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	120.2690	0.000	1	120.2690	0.000	1	121.1710	7.729	7	121.2121	8.236	15	121.2121	8.236	15	121.4401	8.785	19
893	18	643	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	O-2:C[6a]-3:C[6a]-3:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC[6a])	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC[6a]){1|B<6>,5|H<1>}	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	127.4250	0.000	1	127.4250	0.000	1	121.1710	7.729	7	121.2121	8.236	15	121.2121	8.236	15	121.4401	8.785	19
893	18	643	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	O-2:C[6a]-3:C[6a]-3:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OC[6a])	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OC[6a]){1|B<6>,5|H<1>}	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	120.5067	1.512	3	120.5067	2.285	3	120.5067	2.285	3	121.2121	8.236	15	121.2121	8.236	15	121.4401	8.785	19
893	18	643	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C[6a]-3:C[6a]-3:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OC[6a])	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OC[6a]){1|B<6>,1|C<4>,4|H<1>}	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	124.8355	4.349	2	124.8355	18.917	2	124.8355	18.917	2	121.2121	8.236	15	121.2121	8.236	15	121.4401	8.785	19
893	18	643	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C[6a]-3:C[6a]-3:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC[6a])	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC[6a]){1|B<6>,5|H<1>}	C[6a](OB[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	121.2121	8.236	15	121.2121	8.236	15	121.4401	8.785	19
893	18	930	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C	6:3:	6:6:6:6:6:2:	2:3:1:	B[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C[5a]-3:O-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CC[5a]O)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OB[5x3,5x5,20x6])(C[5a]C[5a]N[5a])(O)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CC[5a]O)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,1|C<3>,1|N<2>,5|H<1>}	C(OB[5x3,5x5,20x6])(C[5a]C[5a]N[5a])(O)	124.6560	0.000	1	124.6560	0.000	1	124.6560	0.000	1	124.6560	0.000	1	124.2462	1.833	5	124.2462	1.833	5
893	18	930	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C	6:3:	6:6:6:6:6:2:	2:4:1:	B[5x3,5x5,20x6]-6:C-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:O-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(OC)	C(OB[5x3,5x5,20x6])(CH3)(O)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(OC){1|C<4>,1|C<6>,4|H<1>}	C(OB[5x3,5x5,20x6])(CH3)(O)	125.0580	0.000	1	125.0580	0.000	1	125.0580	0.000	1	124.1437	2.374	4	124.2462	1.833	5	124.2462	1.833	5
893	18	930	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C	6:3:	6:6:6:6:6:2:	2:4:1:	B[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:O-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OB[5x3,5x5,20x6])(CH3)(O)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,1|C<3>,1|N<2>,5|H<1>}	C(OB[5x3,5x5,20x6])(CH3)(O)	122.9640	0.000	1	122.9640	0.000	1	122.9640	0.000	1	124.1437	2.374	4	124.2462	1.833	5	124.2462	1.833	5
893	18	930	0:SP2_SP2_SPD6	O	B[5x3,5x5,20x6]	C	6:3:	6:6:6:6:6:2:	2:4:1:	B[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C[3x6]-4:O-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CC[3x6]O)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OB[5x3,5x5,20x6])(C[3x6]C[6,6]3)(O)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CC[3x6]O)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,1|C<3>,1|N<2>,5|H<1>}	C(OB[5x3,5x5,20x6])(C[3x6]C[6,6]3)(O)	124.2765	2.204	2	124.2765	4.858	2	124.2765	4.858	2	124.1437	2.374	4	124.2462	1.833	5	124.2462	1.833	5
893	18	951	0:SP3_SP-NON_SPD6	O	B[5x3,4x5,17x6]	H	6:1:	6:6:6:6:5:2:	2:	B[5x3,4x5,17x6]-6:H-1:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:O-2:	O-2:	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(H)	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]S)(OH)	H(OB[5x3,4x5,17x6])	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(H)	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]S)(OH){1|B<6>,1|C<4>,4|H<1>}	H(OB[5x3,4x5,17x6])	110.4350	0.000	1	109.9980	0.382	2	109.9980	0.382	2	109.9980	0.382	2	109.9980	0.382	2	109.8637	0.672	14
893	18	951	0:SP3_SP-NON_SPD6	O	B[5x3,4x5,17x6]	H	6:1:	6:6:6:6:5:2:	2:	B[5x3,4x5,17x6]-6:H-1:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:O-2:	O-2:	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(H)	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]S)(OH)	H(OB[5x3,4x5,17x6])	O(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(H)	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]S)(OH){1|Si<4>,1|B<6>,4|H<1>}	H(OB[5x3,4x5,17x6])	109.5610	0.000	1	109.9980	0.382	2	109.9980	0.382	2	109.9980	0.382	2	109.9980	0.382	2	109.8637	0.672	14
893	18	951	0:SP3_SP-NON_SPD6	O	B[5x3,5x5,20x6]	H	6:1:	6:6:6:6:6:2:	2:	B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)4(OH)	H(OB[5x3,5x5,20x6])	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)4(OH){1|B<6>,5|O<2>}	H(OB[5x3,5x5,20x6])	109.4710	0.067	5	109.4710	0.004	5	109.4701	0.003	10	109.8413	0.756	12	109.8413	0.756	12	109.8637	0.672	14
893	18	951	0:SP3_SP-NON_SPD6	O	B[5x3,5x5,20x6]	H	6:1:	6:6:6:6:6:2:	2:	B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)5(OH)	H(OB[5x3,5x5,20x6])	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)5(OH){1|B<6>,1|N<3>,4|O<2>}	H(OB[5x3,5x5,20x6])	109.4682	0.056	4	109.4692	0.002	5	109.4701	0.003	10	109.8413	0.756	12	109.8413	0.756	12	109.8637	0.672	14
893	18	951	0:SP3_SP-NON_SPD6	O	B[5x3,5x5,20x6]	H	6:1:	6:6:6:6:6:2:	2:	B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)5(OH)	H(OB[5x3,5x5,20x6])	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)5(OH){1|B<6>,5|O<2>}	H(OB[5x3,5x5,20x6])	109.4730	0.000	1	109.4692	0.002	5	109.4701	0.003	10	109.8413	0.756	12	109.8413	0.756	12	109.8637	0.672	14
893	18	951	0:SP3_SP-NON_SPD6	O	B[5x3,5x5,20x6]	H	6:1:	6:6:6:6:6:2:	2:	B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	O-2:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OH)	H(OB[5x3,5x5,20x6])	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OH){1|B<6>,5|H<1>}	H(OB[5x3,5x5,20x6])	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	109.8413	0.756	12	109.8413	0.756	12	109.8637	0.672	14
893	18	951	0:SP3_SP-NON_SPD6	O	B[5x3,5x5,20x6]	H	6:1:	6:6:6:6:6:2:	2:	B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OH)	H(OB[5x3,5x5,20x6])	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OH){1|Si<4>,1|B<6>,4|H<1>}	H(OB[5x3,5x5,20x6])	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	109.8413	0.756	12	109.8413	0.756	12	109.8637	0.672	14
893	18	952	0:SP3_SP3_SPD6	O	B[4x3,5,5,7x6]	S	6:4:	6:6:6:5:2:2:	2:4:1:1:	B[4x3,5,5,7x6]-6:S-4:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:O-2:	O-2:C-4:O-1:O-1:	O(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3])(SCOO)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(OS)	S(OB[4x3,5,5,7x6])(CF3)(O)2	O(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3])(SCOO)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(OS){1|B<6>,1|H<2>,1|S<3>,4|H<1>}	S(OB[4x3,5,5,7x6])(CF3)(O)2	127.9030	0.000	1	127.9030	0.000	1	127.9030	0.000	1	127.9030	0.000	1	127.9030	0.000	1	130.1758	27.539	6
893	18	952	0:SP3_SP3_SPD6	O	B[5x3,4,9x5,6,6]	S	6:4:	6:6:6:6:5:2:	2:4:1:1:	B[5x3,4,9x5,6,6]-6:S-4:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:O-2:	O-2:C-4:O-1:O-1:	O(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(SCOO)	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)2(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C)(OS)	S(OB[5x3,4,9x5,6,6])(CF3)(O)2	O(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(SCOO)	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)2(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C)(OS){2|C<4>,2|H<1>}	S(OB[5x3,4,9x5,6,6])(CF3)(O)2	125.0110	0.000	2	125.0110	0.000	2	125.0110	0.000	2	125.0110	0.000	2	125.0110	0.000	2	130.1758	27.539	6
893	18	952	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	S	6:4:	6:6:6:6:6:2:	2:4:1:1:	B[5x3,5x5,20x6]-6:S-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:O-1:O-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SCOO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(OS)	S(OB[5x3,5x5,20x6])(CF3)(O)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SCOO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(OS){5|Cl<1>,1|C<6>}	S(OB[5x3,5x5,20x6])(CF3)(O)2	137.5680	0.000	1	137.5680	0.000	1	137.5680	0.000	1	134.0040	25.404	2	134.3767	13.119	3	130.1758	27.539	6
893	18	952	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	S	6:4:	6:6:6:6:6:2:	2:4:1:1:	B[5x3,5x5,20x6]-6:S-4:	C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:O-1:O-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SCOO)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OS)	S(OB[5x3,5x5,20x6])(CF3)(O)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SCOO)	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(OS){1|B<6>,2|C<3>,5|H<1>}	S(OB[5x3,5x5,20x6])(CF3)(O)2	130.4400	0.000	1	130.4400	0.000	1	130.4400	0.000	1	134.0040	25.404	2	134.3767	13.119	3	130.1758	27.539	6
893	18	952	0:SP3_SP3_SPD6	O	B[5x3,5x5,20x6]	S	6:4:	6:6:6:6:6:2:	2:4:2:1:	B[5x3,5x5,20x6]-6:S-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:O-2:O-1:	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SCOO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(OS)	S(OB[5x3,5x5,20x6])(CF3)(OPd)(O)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(SCOO)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(OS){5|Cl<1>,1|C<6>}	S(OB[5x3,5x5,20x6])(CF3)(OPd)(O)	135.1220	0.000	1	135.1220	0.000	1	135.1220	0.000	1	135.1220	0.000	1	134.3767	13.119	3	130.1758	27.539	6
893	58	610	0:SP3_SP3_SP3	O	S[5]	B	3:4:	2:2:2:	3:3:2:4:	S[5]-3:B-4:	O[5]-2:O[5]-2:O-2:	C[6a]-3:C[6a]-3:O-2:C-4:	O(S[5]O[5]2)(BC[6a]2C)	S[5](O[5]B[5])(O[5]C[5])(OB)	B(C[6a]C[6a]2)2(OS[5])(CCHH)	O(S[5]O[5]2)(BC[6a]2C)	S[5](O[5]B[5])(O[5]C[5])(OB){1|H<1>,1|P<4>,2|C<3>}	B(C[6a]C[6a]2)2(OS[5])(CCHH)	134.7250	13.429	2	134.7250	180.348	2	134.7250	180.348	2	134.7250	180.348	2	134.7250	180.348	2	134.7250	180.348	2
893	74	490	0:SP3_SP2_SP3	O	N[4]	C	3:4:	4:3:2:	3:2:1:1:	N[4]-3:C-4:	C[4]-4:C[4]-3:O-2:	C[6a]-3:O-2:H-1:H-1:	O(N[4]C[4]2)(CC[6a]HH)	N[4](C[4]C[4]CH)(C[4]C[4]O)(OC)	C(C[6a]C[6a]2)(ON[4])(H)2	O(N[4]C[4]2)(CC[6a]HH)	N[4](C[4]C[4]CH)(C[4]C[4]O)(OC){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(ON[4])(H)2	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1
893	74	490	0:SP3_SP3_SP3	O	N[4]	C	3:4:	4:4:2:	2:1:1:1:	N[4]-3:C-4:	C[4,5]-4:C[4,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(N[4]C[4,5]C[4,6])(CH3)	N[4](C[4,5]C[4,5,6]C[5,6a]C)(C[4,6]C[4,5,6]C[6]H)(OC)	C(ON[4])(H)3	O(N[4]C[4,5]C[4,6])(CH3)	N[4](C[4,5]C[4,5,6]C[5,6a]C)(C[4,6]C[4,5,6]C[6]H)(OC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(ON[4])(H)3	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1
893	82	490	0:SP3_SP3_SPD5	O	Ga[5,6,6]	C	5:4:	3:3:2:2:2:	3:2:1:1:	Ga[5,6,6]-5:C-4:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:O-2:	C[6a]-3:O-2:H-1:H-1:	O(Ga[5,6,6]N[5,6]2O[6]2)(CC[6a]HH)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(OC)	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	O(Ga[5,6,6]N[5,6]2O[6]2)(CC[6a]HH)	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(OC){4|C<3>,6|H<1>}	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	121.2190	0.000	1	121.2190	0.000	1	121.2190	0.000	1	121.2190	0.000	1	121.2190	0.000	1	121.2190	0.000	1
893	82	643	0:SP2_SP2_SPD5	O	Ga[5,5]	C[6a]	5:3:	3:3:2:2:2:	3:3:2:	Ga[5,5]-5:C[6a]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a])	C[6a](C[6a]C[6a]2)2(OGa[5,5])	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a]){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]2)2(OGa[5,5]){2|H<1>,5|C<3>}	131.5010	0.000	1	131.5010	0.000	1	130.2647	1.915	3	130.2647	1.915	3	126.6595	53.265	4	126.6595	53.265	4
893	82	643	0:SP2_SP2_SPD5	O	Ga[5,5]	C[6a]	5:3:	3:3:2:2:2:	3:3:2:	Ga[5,5]-5:C[6a]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OGa[5,5])	O(Ga[5,5]N[5,6]2O[5]2)(C[6a]C[6a]2)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a]){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(OGa[5,5]){1|C<3>,2|H<1>}	129.6465	1.240	2	129.6465	1.537	2	130.2647	1.915	3	130.2647	1.915	3	126.6595	53.265	4	126.6595	53.265	4
893	82	643	0:SP2_SP2_SPD5	O	Ga[5,5]	C[6a]	5:3:	3:3:3:2:2:	3:3:2:	Ga[5,5]-5:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	O(Ga[5,5]N[5,6]3O[5])(C[6a]C[6a,6a]C[6a])	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5,5])	O(Ga[5,5]N[5,6]3O[5])(C[6a]C[6a,6a]C[6a])	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5,5]){1|H<1>,3|C<3>}	115.8440	0.000	1	115.8440	0.000	1	115.8440	0.000	1	115.8440	0.000	1	126.6595	53.265	4	126.6595	53.265	4
893	82	762	0:SP2_SP2_SPD5	O	Ga[5,5]	C[6]	5:3:	2:2:2:2:2:	3:3:2:	Ga[5,5]-5:C[6]-3:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:O-2:	C[6]-3:C[6]-3:O-2:	O(Ga[5,5]O[5]2S[5]2)(C[6]C[6]2)	Ga[5,5](O[5]C[5,6])2(S[5]C[5,6])2(OC[6])	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5])	O(Ga[5,5]O[5]2S[5]2)(C[6]C[6]2)	Ga[5,5](O[5]C[5,6])2(S[5]C[5,6])2(OC[6]){4|C<3>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5]){1|C<3>,1|H<1>}	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1
893	82	930	0:SP2_SP2_SPD5	O	Ga[3x5]	C	5:3:	4:4:2:2:2:	2:4:1:	Ga[3x5]-5:C-3:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O-2:	O-2:C-4:O-1:	O(Ga[3x5]N[5,5]2O[5]2)(CCO)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC)	C(OGa[3x5])(CHHN)(O)	O(Ga[3x5]N[5,5]2O[5]2)(CCO)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC){1|C<3>,1|C<4>,2|O<1>,6|H<1>}	C(OGa[3x5])(CHHN)(O)	118.5255	0.192	2	118.5255	0.037	2	118.5255	0.037	2	118.5255	0.037	2	118.5255	0.037	2	118.4608	0.683	4
893	82	930	0:SP2_SP2_SPD5	O	Ga[5,5]	C	5:3:	4:2:2:3:2:	2:4:1:	Ga[5,5]-5:C-3:	N[5,5]-4:O[5]-2:O[5]-2:O-3:O-2:	O-2:C-4:O-1:	O(Ga[5,5]N[5,5]O[5]2O)(CCO)	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC)	C(OGa[5,5])(CHHN)(O)	O(Ga[5,5]N[5,5]O[5]2O)(CCO)	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC){2|O<1>,4|H<1>}	C(OGa[5,5])(CHHN)(O)	117.3970	0.000	1	117.3970	0.000	1	117.3970	0.000	1	117.3970	0.000	1	117.3970	0.000	1	118.4608	0.683	4
893	82	930	0:SP2_SP2_SPD5	O	Ga[5,6]	C	5:3:	4:2:2:3:2:	2:4:1:	Ga[5,6]-5:C-3:	N[5,6]-4:O[6]-2:O[5]-2:O-3:O-2:	O-2:C-4:O-1:	O(Ga[5,6]N[5,6]O[5]O[6]O)(CCO)	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC)	C(OGa[5,6])(CHHN)(O)	O(Ga[5,6]N[5,6]O[5]O[6]O)(CCO)	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC){1|O<1>,2|C<3>,4|H<1>}	C(OGa[5,6])(CHHN)(O)	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	118.4608	0.683	4
893	98	951	0:SP3_SP-NON_SP2	O	As[5]	H	3:1:	3:2:2:	2:	As[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(As[5]C[5,6a]O[5])(H)	As[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	H(OAs[5])	O(As[5]C[5,6a]O[5])(H)	As[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|H<1>,1|O<1>,2|C<3>}	H(OAs[5])	121.5480	0.000	1	121.5480	0.000	1	121.5480	0.000	1	121.5480	0.000	1	121.5480	0.000	1	121.5480	0.000	1
893	210	210	0:SP3_SP1_SP1	O	Ge	Ge	2:2:	3:2:	3:2:	Ge-2:Ge-2:	N-3:O-2:	N-3:O-2:	O(GeN)2	Ge(NC[6a]P)(OGe)	Ge(NC[6a]P)(OGe)	O(GeN)2	Ge(NC[6a]P)(OGe)	Ge(NC[6a]P)(OGe)	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1
893	210	466	0:SP3_SP1_SP3	O	Ge	C[6]	4:2:	3:2:	3:3:4:2:	C[6]-4:Ge-2:	C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:O-2:	O(C[6]C[6,6a]C[6]C)(GeC[6a])	Ge(C[6a]C[6a]2)(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe)	O(C[6]C[6,6a]C[6]C)(GeC[6a])	Ge(C[6a]C[6a]2)(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe){1|H<1>,4|C<3>}	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1
893	210	490	0:SP3_SP1_SP3	O	Ge	C	4:2:	2:2:	4:4:4:2:	C-4:Ge-2:	O-2:O-2:	C-4:C-4:C-4:O-2:	O(CC3)(GeO)	Ge(OC)2	C(CHHP)(CF3)2(OGe)	O(CC3)(GeO)	Ge(OC)2	C(CHHP)(CF3)2(OGe)	123.1475	0.528	4	123.1475	0.279	4	123.1475	0.279	4	123.1475	0.279	4	121.4635	8.163	6	121.4635	8.163	6
893	210	490	0:SP3_SP1_SP3	O	Ge	C	4:2:	3:2:	3:2:1:1:	C-4:Ge-2:	N-3:O-2:	C[6a]-3:O-2:H-1:H-1:	O(CC[6a]HH)(GeN)	Ge(NC[6a]Si)(OC)	C(C[6a]C[6a]2)(OGe)(H)2	O(CC[6a]HH)(GeN)	Ge(NC[6a]Si)(OC)	C(C[6a]C[6a]2)(OGe)(H)2	116.3710	0.000	1	116.3710	0.000	1	116.3710	0.000	1	116.3710	0.000	1	121.4635	8.163	6	121.4635	8.163	6
893	210	490	0:SP3_SP1_SP3	O	Ge	C	4:2:	3:2:	4:4:4:2:	C-4:Ge-2:	N-3:O-2:	C-4:C-4:C-4:O-2:	O(CC3)(GeN)	Ge(NC[6a]Si)(OC)	C(CH3)3(OGe)	O(CC3)(GeN)	Ge(NC[6a]Si)(OC)	C(CH3)3(OGe)	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	121.4635	8.163	6	121.4635	8.163	6
893	210	643	0:SP2_SP1_SP2	O	Ge	C[6a]	3:2:	2:2:	3:3:2:	C[6a]-3:Ge-2:	O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(GeO)	Ge(OC[6a])2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe)	O(C[6a]C[6a]2)(GeO)	Ge(OC[6a])2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe){1|H<1>,4|C<3>}	128.9790	6.983	2	128.9790	48.768	2	121.7250	28.101	10	121.7250	28.101	10	120.3529	25.161	14	120.3529	25.161	14
893	210	643	0:SP2_SP1_SP2	O	Ge	C[6a]	3:2:	2:2:	3:3:2:	C[6a]-3:Ge-2:	O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(GeO)	Ge(OC[6a])2	C[6a](C[6a]C[6a]C)2(OGe)	O(C[6a]C[6a]2)(GeO)	Ge(OC[6a])2	C[6a](C[6a]C[6a]C)2(OGe){1|C<3>,2|H<1>}	119.9115	3.220	8	119.9115	10.370	8	121.7250	28.101	10	121.7250	28.101	10	120.3529	25.161	14	120.3529	25.161	14
893	210	643	0:SP2_SP1_SP2	O	Ge	C[6a]	3:2:	2:3:	3:3:2:	C[6a]-3:Ge-2:	O-2:N-3:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(GeN)	Ge(OC[6a])(NSi2)	C[6a](C[6a]C[6a]C)2(OGe)	O(C[6a]C[6a]2)(GeN)	Ge(OC[6a])(NSi2)	C[6a](C[6a]C[6a]C)2(OGe){1|C<3>,2|H<1>}	116.9228	1.662	4	116.9228	2.763	4	116.9228	2.763	4	116.9228	2.763	4	120.3529	25.161	14	120.3529	25.161	14
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	2:1:1:1:	N[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(N[6a]C[6,6a]C[6a])(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC)	C(ON[6a])(H)3	O(N[6a]C[6,6a]C[6a])(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C(ON[6a])(H)3	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	109.9465	0.583	13	109.9356	0.504	17	109.9356	0.504	17
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	2:1:1:1:	N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(N[6a]C[6a,6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C(ON[6a])(H)3	O(N[6a]C[6a,6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|C<4>,4|C<3>}	C(ON[6a])(H)3	109.6860	0.000	1	109.6468	0.253	5	109.6468	0.253	5	109.9465	0.583	13	109.9356	0.504	17	109.9356	0.504	17
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	2:1:1:1:	N[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(N[6a]C[6a,6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C(ON[6a])(H)3	O(N[6a]C[6a,6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C(ON[6a])(H)3	109.6370	0.580	4	109.6468	0.253	5	109.6468	0.253	5	109.9465	0.583	13	109.9356	0.504	17	109.9356	0.504	17
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	2:1:1:1:	N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C(ON[6a])(H)3	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C(ON[6a])(H)3	109.7490	0.000	1	109.9232	0.606	4	110.1291	0.875	7	109.9465	0.583	13	109.9356	0.504	17	109.9356	0.504	17
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	2:1:1:1:	N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C(ON[6a])(H)3	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){5|C<3>}	C(ON[6a])(H)3	109.9813	0.943	3	109.9232	0.606	4	110.1291	0.875	7	109.9465	0.583	13	109.9356	0.504	17	109.9356	0.504	17
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	2:1:1:1:	N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C(ON[6a])(H)3	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	C(ON[6a])(H)3	111.3530	0.000	1	110.4037	1.519	3	110.1291	0.875	7	109.9465	0.583	13	109.9356	0.504	17	109.9356	0.504	17
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	2:1:1:1:	N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C(ON[6a])(H)3	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|P<4>,2|C<3>}	C(ON[6a])(H)3	110.8470	0.000	1	110.4037	1.519	3	110.1291	0.875	7	109.9465	0.583	13	109.9356	0.504	17	109.9356	0.504	17
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	2:1:1:1:	N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C(ON[6a])(H)3	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C(ON[6a])(H)3	109.0110	0.000	1	110.4037	1.519	3	110.1291	0.875	7	109.9465	0.583	13	109.9356	0.504	17	109.9356	0.504	17
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	2:4:1:1:	N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:H-1:H-1:	O(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C(ON[6a])(CCHH)(H)2	O(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C(ON[6a])(CCHH)(H)2	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	109.9356	0.504	17	109.9356	0.504	17
893	217	490	0:SP3_SP2_SP3	O	N[6a]	C	3:4:	3:3:2:	3:2:1:1:	N[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:H-1:H-1:	O(N[6a]C[6a]2)(CC[6a]HH)	N[6a](C[6a]N[6a]O)2(OC)	C(C[6a]C[6a]2)(ON[6a])(H)2	O(N[6a]C[6a]2)(CC[6a]HH)	N[6a](C[6a]N[6a]O)2(OC){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(ON[6a])(H)2	109.6260	0.278	3	109.6260	0.077	3	109.6260	0.077	3	109.6260	0.077	3	109.9356	0.504	17	109.9356	0.504	17
893	217	880	0:SP3_SP2_SP3	O	N[6a]	Si	3:4:	3:3:2:	2:4:4:4:	N[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(N[6a]C[6a]2)(SiC3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	Si(ON[6a])(CH3)3	O(N[6a]C[6a]2)(SiC3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	Si(ON[6a])(CH3)3	117.6280	0.000	1	117.6280	0.000	1	117.6280	0.000	1	117.6280	0.000	1	119.1250	4.482	2	119.1250	4.482	2
893	217	880	0:SP3_SP2_SP3	O	N[6a]	Si	3:4:	3:3:2:	3:3:3:2:	N[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(N[6a]C[6a]2)(SiC[6a]3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	Si(C[6a]C[6a]2)3(ON[6a])	O(N[6a]C[6a]2)(SiC[6a]3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)3(ON[6a])	120.6220	0.000	1	120.6220	0.000	1	120.6220	0.000	1	120.6220	0.000	1	119.1250	4.482	2	119.1250	4.482	2
893	217	931	0:SP3_SP2_SPD5	O	N[6a]	Si[5]	5:3:	3:3:2:	2:2:2:4:4:	Si[5]-5:N[6a]-3:	C[6a]-3:C[6a]-3:O-2:	O[5]-2:O[5]-2:O-2:C-4:C-4:	O(Si[5]O[5]2CC)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5])	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2	O(Si[5]O[5]2CC)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5]){1|C<3>,2|H<1>}	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2{2|C<3>}	128.6380	0.000	1	128.6380	0.000	1	128.6380	0.000	1	128.6380	0.000	1	128.6380	0.000	1	128.6380	0.000	1
893	217	951	0:SP3_SP-NON_SP2	O	N[6a]	H	3:1:	3:3:2:	2:	N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(N[6a]C[6a,6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	H(ON[6a])	O(N[6a]C[6a,6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(ON[6a])	104.3270	0.000	1	104.3270	0.000	1	104.3270	0.000	1	105.0728	16.475	16	105.0728	16.475	16	105.0728	16.475	16
893	217	951	0:SP3_SP-NON_SP2	O	N[6a]	H	3:1:	3:3:2:	2:	N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH)	H(ON[6a])	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	H(ON[6a])	109.5010	0.044	2	109.5010	0.002	2	105.1225	17.610	15	105.0728	16.475	16	105.0728	16.475	16	105.0728	16.475	16
893	217	951	0:SP3_SP-NON_SP2	O	N[6a]	H	3:1:	3:3:2:	2:	N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	H(ON[6a])	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	H(ON[6a])	104.4585	4.115	2	104.4585	16.930	2	105.1225	17.610	15	105.0728	16.475	16	105.0728	16.475	16	105.0728	16.475	16
893	217	951	0:SP3_SP-NON_SP2	O	N[6a]	H	3:1:	3:3:2:	2:	N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	H(ON[6a])	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	H(ON[6a])	110.0507	1.006	3	110.0507	1.012	3	105.1225	17.610	15	105.0728	16.475	16	105.0728	16.475	16	105.0728	16.475	16
893	217	951	0:SP3_SP-NON_SP2	O	N[6a]	H	3:1:	3:3:2:	2:	N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(ON[6a])	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	H(ON[6a])	102.3326	3.034	4	102.3326	9.208	4	105.1225	17.610	15	105.0728	16.475	16	105.0728	16.475	16	105.0728	16.475	16
893	217	951	0:SP3_SP-NON_SP2	O	N[6a]	H	3:1:	3:3:2:	2:	N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]H)2(OH)	H(ON[6a])	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|N<3>}	H(ON[6a])	98.1085	0.000	1	98.1085	0.000	1	105.1225	17.610	15	105.0728	16.475	16	105.0728	16.475	16	105.0728	16.475	16
893	217	951	0:SP3_SP-NON_SP2	O	N[6a]	H	3:1:	3:3:2:	2:	N[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(N[6a]C[6a]2)(H)	N[6a](C[6a]N[6a]O)2(OH)	H(ON[6a])	O(N[6a]C[6a]2)(H)	N[6a](C[6a]N[6a]O)2(OH){1|C<3>,2|O<2>}	H(ON[6a])	103.7760	1.026	3	103.7760	1.052	3	105.1225	17.610	15	105.0728	16.475	16	105.0728	16.475	16	105.0728	16.475	16
893	222	951	0:SP3_SP-NON_SPD5	O	As[5,5]	H	5:1:	3:3:2:2:2:	2:	As[5,5]-5:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	O-2:	O(As[5,5]C[5,6a]2O[5]2)(H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	H(OAs[5,5])	O(As[5,5]C[5,6a]2O[5]2)(H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	H(OAs[5,5])	109.4523	0.028	3	109.4523	0.001	3	109.4523	0.001	3	109.4523	0.001	3	109.4523	0.001	3	109.4523	0.001	3
893	238	951	0:SP3_SP-NON_SPD7	O	C[4x3]	H	7:1:	7:2:2:2:2:2:1:	2:	C[4x3]-7:H-1:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	O-2:	O(C[4x3]C[4x3]H[3]4H)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H(OC[4x3])	O(C[4x3]C[4x3]H[3]4H)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H(OC[4x3])	139.7580	0.000	1	139.7580	0.000	1	139.7580	0.000	1	139.7580	0.000	1	139.7580	0.000	1	139.7580	0.000	1
893	246	486	0:SP3_SP3_SP3	O	P[5]	C[3,5,5]	4:3:	3:3:2:	3:3:4:2:	C[3,5,5]-4:P[5]-3:	N[5]-3:N[5]-3:O-2:	P[3,3,5]-3:P[3,3,5]-3:C[5,5]-4:O-2:	O(C[3,5,5]P[3,3,5]2C[5,5])(P[5]N[5]2)	P[5](N[5]C[6a]C[5])2(OC[3,5,5])	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5])	O(C[3,5,5]P[3,3,5]2C[5,5])(P[5]N[5]2)	P[5](N[5]C[6a]C[5])2(OC[3,5,5]){2|H<1>,4|C<3>}	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5]){1|C<3>}	116.7720	0.000	1	116.7720	0.000	1	116.7720	0.000	1	116.7720	0.000	1	116.7720	0.000	1	116.7720	0.000	1
893	246	490	0:SP3_SP3_SP3	O	P[5]	C	3:4:	3:3:2:	2:4:1:1:	P[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	O-2:C-4:H-1:H-1:	O(P[5]C[5]2)(CCHH)	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(OC)	C(OP[5])(CCHH)(H)2	O(P[5]C[5]2)(CCHH)	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(OC){1|P<3>,2|C<4>,3|C<3>}	C(OP[5])(CCHH)(H)2	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	121.7405	3.546	2	121.3188	1.084	5	121.3188	1.084	5
893	246	490	0:SP3_SP3_SP3	O	P[5]	C	3:4:	3:3:2:	2:4:1:1:	P[5]-3:C-4:	N[5]-3:N[5]-3:O-2:	O-2:C-4:H-1:H-1:	O(P[5]N[5]2)(CCHH)	P[5](N[5]C[6a]C[5])2(OC)	C(OP[5])(CHHN)(H)2	O(P[5]N[5]2)(CCHH)	P[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C(OP[5])(CHHN)(H)2	123.0720	0.000	1	123.0720	0.000	1	123.0720	0.000	1	121.7405	3.546	2	121.3188	1.084	5	121.3188	1.084	5
893	246	490	0:SP3_SP3_SP3	O	P[5]	C	3:4:	3:3:2:	2:4:4:1:	P[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	O-2:C-4:C-4:H-1:	O(P[5]C[5]2)(CCCH)	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(OC)	C(OP[5])(CCHH)(CH3)(H)	O(P[5]C[5]2)(CCCH)	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(OC){1|P<3>,2|C<4>,3|C<3>}	C(OP[5])(CCHH)(CH3)(H)	121.0377	0.313	3	121.0377	0.098	3	121.0377	0.098	3	121.0377	0.098	3	121.3188	1.084	5	121.3188	1.084	5
893	246	930	0:SP2_SP2_SP3	O	P[5]	C	3:3:	3:3:2:	2:1:1:	P[5]-3:C-3:	C[5,6a]-3:N[5]-3:O-2:	O-2:H-1:O-1:	O(P[5]C[5,6a]N[5])(CHO)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)	C(OP[5])(H)(O)	O(P[5]C[5,6a]N[5])(CHO)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC){2|H<1>,5|C<3>}	C(OP[5])(H)(O)	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	113.8895	36.851	2	113.8895	36.851	2
893	246	930	0:SP2_SP2_SP3	O	P[5]	C	3:3:	3:3:2:	3:2:2:	P[5]-3:C-3:	N[5]-3:N[5]-3:O-2:	P[5]-3:N-2:O-2:	O(P[5]N[5]2)(CP[5]N)	P[5](N[5]C[6a]C[5])2(OC)	C(P[5]N[5]2)(NC[6a])(OP[5])	O(P[5]N[5]2)(CP[5]N)	P[5](N[5]C[6a]C[5])2(OC){4|C<3>,4|H<1>}	C(P[5]N[5]2)(NC[6a])(OP[5])	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	113.8895	36.851	2	113.8895	36.851	2
893	246	984	0:SP3_SP-NON_SP3	O	P[5]	Ga	3:4:	3:3:2:	2:1:1:1:	P[5]-3:Ga-4:	N[5]-3:C[5]-3:O-2:	O-2:Cl-1:Cl-1:Cl-1:	O(P[5]C[5]N[5])(GaCl3)	P[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(OGa)	Ga(OP[5])(Cl)3	O(P[5]C[5]N[5])(GaCl3)	P[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(OGa){1|C<4>,1|N<3>,2|C<3>}	Ga(OP[5])(Cl)3	145.3460	0.000	1	145.3460	0.000	1	145.3460	0.000	1	145.3460	0.000	1	145.3460	0.000	1	145.3460	0.000	1
893	254	490	0:SP3_SP3_SP3	O	Ge[6]	C	4:4:	3:3:2:2:	2:3:1:1:	Ge[6]-4:C-4:	N[6]-3:N[6]-3:O-2:O-2:	O-2:N-3:H-1:H-1:	O(Ge[6]N[6]2O)(CHHN)	Ge[6](N[6]B[5a]C[6])2(OC)(OH)	C(OGe[6])(NCC)(H)2	O(Ge[6]N[6]2O)(CHHN)	Ge[6](N[6]B[5a]C[6])2(OC)(OH){1|C<4>,4|H<1>,4|N<3>}	C(OGe[6])(NCC)(H)2	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1
893	254	643	0:SP2_SP2_SP3	O	Ge[6]	C[6a]	4:3:	3:2:2:2:	3:3:2:	Ge[6]-4:C[6a]-3:	Ge[6]-3:O[6]-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(Ge[6]Ge[6]O[6]O)(C[6a]C[6a]2)	Ge[6](Ge[6]Ge[6]2)(O[6]Ge[6])(OC[6a])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6])	O(Ge[6]Ge[6]O[6]O)(C[6a]C[6a]2)	Ge[6](Ge[6]Ge[6]2)(O[6]Ge[6])(OC[6a])2{1|Ge<3>,1|N<4>,6|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6]){1|C<3>,2|H<1>}	125.2340	4.897	2	125.2340	23.985	2	125.2340	23.985	2	124.4317	13.924	3	124.3760	9.295	4	124.3760	9.295	4
893	254	643	0:SP2_SP2_SP3	O	Ge[6]	C[6a]	4:3:	3:2:2:2:	3:3:2:	Ge[6]-4:C[6a]-3:	Ge[6]-3:O[6]-2:O[6]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(Ge[6]Ge[6]O[6]2)(C[6a]C[6a]2)	Ge[6](Ge[6]Ge[6]2)(O[6]Ge[6])2(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6])	O(Ge[6]Ge[6]O[6]2)(C[6a]C[6a]2)	Ge[6](Ge[6]Ge[6]2)(O[6]Ge[6])2(OC[6a]){1|Ge<3>,2|N<4>,8|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6]){1|C<3>,2|H<1>}	122.8270	0.000	1	122.8270	0.000	1	122.8270	0.000	1	124.4317	13.924	3	124.3760	9.295	4	124.3760	9.295	4
893	254	643	0:SP2_SP2_SP3	O	Ge[6]	C[6a]	4:3:	3:2:2:4:	3:3:2:	Ge[6]-4:C[6a]-3:	Ge[6]-3:O[6]-2:O-2:N-4:	C[6a]-3:C[6a]-3:O-2:	O(Ge[6]Ge[6]O[6]N)(C[6a]C[6a]2)	Ge[6](Ge[6]Ge[6]2)(O[6]Ge[6])(OC[6a])(NH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6])	O(Ge[6]Ge[6]O[6]N)(C[6a]C[6a]2)	Ge[6](Ge[6]Ge[6]2)(O[6]Ge[6])(OC[6a])(NH3){1|Ge<3>,7|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OGe[6]){1|C<3>,2|H<1>}	124.2090	0.000	1	124.2090	0.000	1	124.2090	0.000	1	124.2090	0.000	1	124.3760	9.295	4	124.3760	9.295	4
893	254	951	0:SP3_SP-NON_SP3	O	Ge[6]	H	4:1:	3:3:2:2:	2:	Ge[6]-4:H-1:	N[6]-3:N[6]-3:O-2:O-2:	O-2:	O(Ge[6]N[6]2O)(H)	Ge[6](N[6]B[5a]C[6])2(OC)(OH)	H(OGe[6])	O(Ge[6]N[6]2O)(H)	Ge[6](N[6]B[5a]C[6])2(OC)(OH){1|C<4>,4|H<1>,4|N<3>}	H(OGe[6])	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	109.5030	0.001	2	109.5030	0.001	2
893	254	951	0:SP3_SP-NON_SP3	O	Ge[6]	H	4:1:	3:3:3:2:	2:	Ge[6]-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	O-2:	O(Ge[6]C[6a]C[6]2)(H)	Ge[6](C[6a]C[6a]2)(C[6]C[6]C)2(OH)	H(OGe[6])	O(Ge[6]C[6a]C[6]2)(H)	Ge[6](C[6a]C[6a]2)(C[6]C[6]C)2(OH){1|Ge<4>,2|C<3>,4|C<4>}	H(OGe[6])	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.5030	0.001	2	109.5030	0.001	2
893	270	951	0:SP3_SP-NON_SPD5	O	C	H	5:1:	3:4:4:2:1:	2:	C-5:H-1:	C[6a]-3:P-4:C-4:O-2:H-1:	O-2:	O(CC[6a]CHP)(H)	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)(H)	H(OC)	O(CC[6a]CHP)(H)	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)(H)	H(OC)	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	106.8223	27.837	4	106.8223	27.837	4
893	270	951	0:SP3_SP-NON_SPD5	O	C	H	5:1:	4:4:2:1:1:	2:	C-5:H-1:	C-4:C-4:O-2:H-1:O-1:	O-2:	O(CCCHO)(H)	C(CN[5a]HH)(CHHN)(OH)(H)(O)	H(OC)	O(CCCHO)(H)	C(CN[5a]HH)(CHHN)(OH)(H)(O)	H(OC)	98.9081	0.000	1	98.9081	0.000	1	98.9081	0.000	1	98.9081	0.000	1	106.8223	27.837	4	106.8223	27.837	4
893	270	951	0:SP3_SP-NON_SPD5	O	C	H	5:1:	5:2:1:1:1:	2:	C-5:H-1:	C-5:O-2:H-1:H-1:H-1:	O-2:	O(CCH3)(H)	C(CH3O)(OH)(H)3	H(OC)	O(CCH3)(H)	C(CH3O)(OH)(H)3	H(OC)	109.4540	0.000	2	109.4540	0.000	2	109.4540	0.000	2	109.4540	0.000	2	106.8223	27.837	4	106.8223	27.837	4
893	278	490	0:SP2_SP2_SP3	O	Ge[6]	C	3:4:	3:3:2:	2:4:4:1:	Ge[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	O-2:C-4:C-4:H-1:	O(Ge[6]N[6]2)(CCCH)	Ge[6](N[6]C[6a]C[6])2(OC)	C(OGe[6])(CH3)2(H)	O(Ge[6]N[6]2)(CCCH)	Ge[6](N[6]C[6a]C[6])2(OC){2|C<4>,5|C<3>}	C(OGe[6])(CH3)2(H)	116.9890	0.000	1	116.9890	0.000	1	116.9890	0.000	1	116.9890	0.000	1	115.6213	11.809	4	115.6213	11.809	4
893	278	490	0:SP2_SP2_SP3	O	Ge[6]	C	3:4:	3:3:2:	2:4:4:4:	Ge[6]-3:C-4:	C[5,6]-3:N[6]-3:O-2:	O-2:C-4:C-4:C-4:	O(Ge[6]C[5,6]N[6])(CC3)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(OC)	C(OGe[6])(CH3)3	O(Ge[6]C[5,6]N[6])(CC3)	Ge[6](C[5,6]N[5,6]N[5])(N[6]C[6a]C[6])(OC){1|C<4>,2|H<1>,5|C<3>}	C(OGe[6])(CH3)3	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	115.6213	11.809	4	115.6213	11.809	4
893	278	490	0:SP2_SP2_SP3	O	Ge[6]	C	3:4:	3:3:2:	3:2:4:1:	Ge[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	C[5a]-3:O-2:C-4:H-1:	O(Ge[6]N[6]2)(CC[5a]CH)	Ge[6](N[6]C[6a]C[6])2(OC)	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	O(Ge[6]N[6]2)(CC[5a]CH)	Ge[6](N[6]C[6a]C[6])2(OC){2|C<4>,5|C<3>}	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	112.8225	0.000	2	115.6213	11.809	4	115.6213	11.809	4
893	278	490	0:SP2_SP2_SP3	O	Ge[6]	C	3:4:	3:3:2:	3:2:4:1:	Ge[6]-3:C-4:	N[6]-3:N[6]-3:O-2:	C[6a]-3:O-2:C-4:H-1:	O(Ge[6]N[6]2)(CC[6a]CH)	Ge[6](N[6]C[6a]C[6])2(OC)	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	O(Ge[6]N[6]2)(CC[6a]CH)	Ge[6](N[6]C[6a]C[6])2(OC){2|C<4>,5|C<3>}	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	112.8210	0.000	1	112.8210	0.000	1	112.8210	0.000	1	112.8225	0.000	2	115.6213	11.809	4	115.6213	11.809	4
893	278	643	0:SP2_SP2_SP2	O	Ge[6]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(Ge[6]N[6]2)	Ge[6](N[6]C[6a]C[6])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OGe[6])	O(C[6a]C[6a]2)(Ge[6]N[6]2)	Ge[6](N[6]C[6a]C[6])2(OC[6a]){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(OGe[6]){1|C<3>,2|H<1>}	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1
893	278	770	0:SP2_SP2_SP2	O	Ge[6]	B	3:3:	3:3:2:	3:2:2:	Ge[6]-3:B-3:	N[6]-3:N[6]-3:O-2:	C[6a]-3:O-2:O-2:	O(Ge[6]N[6]2)(BC[6a]O)	Ge[6](N[6]C[6a]C[6])2(OB)	B(C[6a]C[6a]2)(OGe[6])(OH)	O(Ge[6]N[6]2)(BC[6a]O)	Ge[6](N[6]C[6a]C[6])2(OB){2|C<4>,5|C<3>}	B(C[6a]C[6a]2)(OGe[6])(OH)	125.9840	0.000	1	125.9840	0.000	1	125.9840	0.000	1	125.9840	0.000	1	125.9840	0.000	1	125.9840	0.000	1
893	278	927	0:SP2_SP2_SP2	O	Ge[6]	B[6a]	3:3:	3:3:2:	2:2:2:	B[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:O-2:	O[6a]-2:O[6a]-2:O-2:	O(B[6a]O[6a]2)(Ge[6]N[6]2)	Ge[6](N[6]C[6a]C[6])2(OB[6a])	B[6a](O[6a]B[6a])2(OGe[6])	O(B[6a]O[6a]2)(Ge[6]N[6]2)	Ge[6](N[6]C[6a]C[6])2(OB[6a]){3|C<4>,4|C<3>}	B[6a](O[6a]B[6a])2(OGe[6]){1|C<3>,2|O<2>}	123.9380	1.155	2	123.9380	1.335	2	123.9380	1.335	2	123.9380	1.335	2	123.9380	1.335	2	123.9380	1.335	2
893	278	930	0:SP2_SP2_SP2	O	Ge[6]	C	3:3:	3:3:2:	2:1:1:	Ge[6]-3:C-3:	N[6]-3:N[6]-3:O-2:	O-2:H-1:O-1:	O(Ge[6]N[6]2)(CHO)	Ge[6](N[6]C[6a]C[6])2(OC)	C(OGe[6])(H)(O)	O(Ge[6]N[6]2)(CHO)	Ge[6](N[6]C[6a]C[6])2(OC){2|C<4>,5|C<3>}	C(OGe[6])(H)(O)	120.8700	0.000	1	120.8700	0.000	1	120.8700	0.000	1	120.8700	0.000	1	120.9300	0.007	2	120.9300	0.007	2
893	278	930	0:SP2_SP2_SP2	O	Ge[6]	C	3:3:	3:3:2:	3:2:1:	Ge[6]-3:C-3:	N[6]-3:N[6]-3:O-2:	C[6a]-3:O-2:O-1:	O(Ge[6]N[6]2)(CC[6a]O)	Ge[6](N[6]C[6a]C[6])2(OC)	C(C[6a]C[6a]2)(OGe[6])(O)	O(Ge[6]N[6]2)(CC[6a]O)	Ge[6](N[6]C[6a]C[6])2(OC){2|C<4>,5|C<3>}	C(C[6a]C[6a]2)(OGe[6])(O)	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	120.9300	0.007	2	120.9300	0.007	2
893	278	945	0:SP2_SP2_SP3	O	Ge[6]	P	3:3:	3:3:2:	3:3:2:	Ge[6]-3:P-3:	N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(Ge[6]N[6]2)(PC[6a]2)	Ge[6](N[6]C[6a]C[6])2(OP)	P(C[6a]C[6a]2)2(OGe[6])	O(Ge[6]N[6]2)(PC[6a]2)	Ge[6](N[6]C[6a]C[6])2(OP){2|C<4>,5|C<3>}	P(C[6a]C[6a]2)2(OGe[6])	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1
893	278	951	0:SP2_SP-NON_SP2	O	Ge[6]	H	3:1:	3:3:2:	2:	Ge[6]-3:H-1:	N[6]-3:N[6]-3:O-2:	O-2:	O(Ge[6]N[6]2)(H)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH)	H(OGe[6])	O(Ge[6]N[6]2)(H)	Ge[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(OH){1|C<4>,6|C<3>}	H(OGe[6])	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1
893	278	992	0:SP2_SP2_SP3	O	Ge[6]	P	3:4:	3:3:2:	3:3:2:1:	Ge[6]-3:P-4:	N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:O-1:	O(Ge[6]N[6]2)(PC[6a]2O)	Ge[6](N[6]C[6a]C[6])2(OP)	P(C[6a]C[6a]2)2(OGe[6])(O)	O(Ge[6]N[6]2)(PC[6a]2O)	Ge[6](N[6]C[6a]C[6])2(OP){2|C<4>,5|C<3>}	P(C[6a]C[6a]2)2(OGe[6])(O)	149.2380	0.000	1	149.2380	0.000	1	149.2380	0.000	1	146.2385	17.994	2	146.2385	17.994	2	146.2385	17.994	2
893	278	992	0:SP2_SP2_SP3	O	Ge[6]	P	3:4:	3:3:2:	3:3:2:1:	Ge[6]-3:P-4:	N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:S-1:	O(Ge[6]N[6]2)(PC[6a]2S)	Ge[6](N[6]C[6a]C[6])2(OP)	P(C[6a]C[6a]2)2(OGe[6])(S)	O(Ge[6]N[6]2)(PC[6a]2S)	Ge[6](N[6]C[6a]C[6])2(OP){2|C<4>,5|C<3>}	P(C[6a]C[6a]2)2(OGe[6])(S)	143.2390	0.000	1	143.2390	0.000	1	143.2390	0.000	1	146.2385	17.994	2	146.2385	17.994	2	146.2385	17.994	2
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	2:2:2:1:	4:4:4:2:	Ge-4:C-4:	O-2:O-2:O-2:Cl-1:	C-4:C-4:C-4:O-2:	O(GeClOO)(CC3)	Ge(OC[6a])(OC)2(Cl)	C(CHHN)(CH3)2(OGe)	O(GeClOO)(CC3)	Ge(OC[6a])(OC)2(Cl)	C(CHHN)(CH3)2(OGe)	117.1965	0.875	4	117.1965	0.766	4	117.1965	0.766	4	118.0832	2.514	6	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	2:2:2:1:	4:4:4:2:	Ge-4:C-4:	O-2:O-2:O-2:H-1:	C-4:C-4:C-4:O-2:	O(GeHOO)(CC3)	Ge(OC[6a])(OC)2(H)	C(CHHN)(CH3)2(OGe)	O(GeHOO)(CC3)	Ge(OC[6a])(OC)2(H)	C(CHHN)(CH3)2(OGe)	119.8565	0.916	2	119.8565	0.839	2	119.8565	0.839	2	118.0832	2.514	6	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	2:2:2:2:	3:4:2:1:	C-4:Ge-4:	O-2:O-2:O-2:O-2:	C[6a]-3:C-4:O-2:H-1:	O(CC[6a]CH)(GeO3)	Ge(OC)4	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	O(CC[6a]CH)(GeO3)	Ge(OC)4	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	114.4470	0.000	1	114.4470	0.000	1	114.4470	0.000	1	114.4470	0.000	1	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	2:2:2:2:	4:2:1:1:	C-4:Ge-4:	O-2:O-2:O-2:O-2:	C-4:O-2:H-1:H-1:	O(CCHH)(GeO3)	Ge(OC)4	C(CHHN)(OGe)(H)2	O(CCHH)(GeO3)	Ge(OC)4	C(CHHN)(OGe)(H)2	119.4351	1.865	9	119.4351	3.479	9	119.4351	3.479	9	119.4351	3.479	9	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	2:2:2:2:	4:4:2:1:	C-4:Ge-4:	O-2:O-2:O-2:O-2:	C-4:C-4:O-2:H-1:	O(CCCH)(GeO3)	Ge(OC)4	C(CH3)2(OGe)(H)	O(CCCH)(GeO3)	Ge(OC)4	C(CH3)2(OGe)(H)	119.5890	0.000	1	119.5890	0.000	1	119.5890	0.000	1	119.5890	0.000	1	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	2:3:3:2:	4:2:1:1:	Ge-4:C-4:	O-2:N-3:N-3:O-2:	C-4:O-2:H-1:H-1:	O(GeNNO)(CCHH)	Ge(OC[5a])(NSi2)2(OC)	C(CCHH)(OGe)(H)2	O(GeNNO)(CCHH)	Ge(OC[5a])(NSi2)2(OC)	C(CCHH)(OGe)(H)2	124.7090	0.000	1	124.7090	0.000	1	124.7090	0.000	1	124.7090	0.000	1	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	3:2:2:2:	4:2:1:1:	Ge-4:C-4:	C-3:O-2:O-2:O-2:	C-4:O-2:H-1:H-1:	O(GeCOO)(CCHH)	Ge(CCH)(OC)3	C(CHHN)(OGe)(H)2	O(GeCOO)(CCHH)	Ge(CCH)(OC)3	C(CHHN)(OGe)(H)2	118.3230	0.281	3	118.3230	0.079	3	118.3230	0.079	3	118.3230	0.079	3	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	3:3:4:2:	4:4:4:2:	Ge-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:O-2:	O(GeC[6a]2C)(CC3)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C(CH3)3(OGe)	O(GeC[6a]2C)(CC3)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C(CH3)3(OGe)	130.7340	0.000	1	130.7340	0.000	1	130.7340	0.000	1	130.7340	0.000	1	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	3:4:2:2:	4:4:4:2:	Ge-4:C-4:	C[5]-3:C-4:O-2:O-2:	C-4:C-4:C-4:O-2:	O(GeC[5]CO)(CC3)	Ge(C[5]N[5]2)(CH3)(OC)2	C(CH3)3(OGe)	O(GeC[5]CO)(CC3)	Ge(C[5]N[5]2)(CH3)(OC)2	C(CH3)3(OGe)	128.5335	1.002	2	128.5335	1.004	2	128.5335	1.004	2	128.5335	1.004	2	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	4:2:2:2:	4:2:1:1:	Ge-4:C-4:	C-4:O-2:O-2:O-2:	C-4:O-2:H-1:H-1:	O(GeCOO)(CCHH)	Ge(CHHO)(OC)3	C(CHHN)(OGe)(H)2	O(GeCOO)(CCHH)	Ge(CHHO)(OC)3	C(CHHN)(OGe)(H)2	119.1837	1.059	3	119.1837	1.121	3	119.1837	1.121	3	119.5532	0.663	6	120.0750	13.562	30	120.0750	13.562	30
893	310	490	0:SP3_SP3_SP3	O	Ge	C	4:4:	4:2:2:2:	4:2:1:1:	Ge-4:C-4:	C[3x6]-4:O-2:O-2:O-2:	C-4:O-2:H-1:H-1:	O(GeC[3x6]OO)(CCHH)	Ge(C[3x6]C[6,6]3)(OC)3	C(CHHN)(OGe)(H)2	O(GeC[3x6]OO)(CCHH)	Ge(C[3x6]C[6,6]3)(OC)3	C(CHHN)(OGe)(H)2	119.9227	0.357	3	119.9227	0.128	3	119.9227	0.128	3	119.5532	0.663	6	120.0750	13.562	30	120.0750	13.562	30
893	310	643	0:SP2_SP2_SP3	O	Ge	C[6a]	3:4:	2:2:2:1:	3:3:2:	C[6a]-3:Ge-4:	O-2:O-2:O-2:Cl-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(GeClOO)	Ge(OC[6a])(OC)2(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe)	O(C[6a]C[6a]2)(GeClOO)	Ge(OC[6a])(OC)2(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe){1|C<3>,2|H<1>}	116.1230	0.042	2	116.1230	0.002	2	116.1230	0.002	2	116.8797	1.719	3	116.8797	1.719	3	116.8797	1.719	3
893	310	643	0:SP2_SP2_SP3	O	Ge	C[6a]	3:4:	2:2:2:1:	3:3:2:	C[6a]-3:Ge-4:	O-2:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(GeHOO)	Ge(OC[6a])(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe)	O(C[6a]C[6a]2)(GeHOO)	Ge(OC[6a])(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe){1|C<3>,2|H<1>}	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	116.8797	1.719	3	116.8797	1.719	3	116.8797	1.719	3
893	310	727	0:SP2_SP2_SP3	O	Ge	C[5a]	3:4:	2:3:3:2:	3:2:2:	C[5a]-3:Ge-4:	O-2:N-3:N-3:O-2:	N[5a]-3:N[5a]-2:O-2:	O(C[5a]N[5a]2)(GeNNO)	Ge(OC[5a])(NSi2)2(OC)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OGe)	O(C[5a]N[5a]2)(GeNNO)	Ge(OC[5a])(NSi2)2(OC)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OGe){1|Ge<4>,1|O<1>,2|C<3>}	129.8190	0.000	1	129.8190	0.000	1	129.8190	0.000	1	129.8190	0.000	1	129.8190	0.000	1	129.8190	0.000	1
893	310	880	0:SP3_SP3_SP3	O	Ge	Si	4:4:	4:2:2:2:	3:3:2:2:	Si-4:Ge-4:	C-4:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)(GeCOO)	Ge(CC3)(OSi)3	Si(C[6a]C[6a]2)2(OGe)2	O(SiC[6a]2O)(GeCOO)	Ge(CC3)(OSi)3	Si(C[6a]C[6a]2)2(OGe)2	135.5573	2.424	6	135.5573	5.873	6	135.5573	5.873	6	135.5573	5.873	6	135.5573	5.873	6	135.5573	5.873	6
893	310	893	0:SP3_SP3_SP3	O	Ge	O	4:2:	3:3:3:2:	2:1:	Ge-4:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:H-1:	O(GeC[6a]3)(OH)	Ge(C[6a]C[6a]2)3(OO)	O(OGe)(H)	O(GeC[6a]3)(OH)	Ge(C[6a]C[6a]2)3(OO)	O(OGe)(H)	105.0130	1.266	2	105.0130	1.602	2	105.0130	1.602	2	105.0130	1.602	2	103.9267	4.341	3	103.9267	4.341	3
893	310	893	0:SP3_SP3_SP3	O	Ge	O	4:2:	3:3:3:2:	4:2:	Ge-4:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	Ge-4:O-2:	O(GeC[6a]3)(OGe)	Ge(C[6a]C[6a]2)3(OO)	O(GeC[6a]3)(OGe)	O(GeC[6a]3)(OGe)	Ge(C[6a]C[6a]2)3(OO)	O(GeC[6a]3)(OGe)	101.7540	0.000	1	101.7540	0.000	1	101.7540	0.000	1	101.7540	0.000	1	103.9267	4.341	3	103.9267	4.341	3
893	310	951	0:SP3_SP-NON_SP3	O	Ge	H	4:1:	3:3:2:2:	2:	Ge-4:H-1:	C[6a]-3:C[6a]-3:O-2:O-2:	O-2:	O(GeC[6a]2O)(H)	Ge(C[6a]C[5,6a]2)2(OH)2	H(OGe)	O(GeC[6a]2O)(H)	Ge(C[6a]C[5,6a]2)2(OH)2	H(OGe)	109.4880	0.011	2	109.4880	0.000	2	109.4880	0.000	2	109.4880	0.000	2	109.4880	0.000	2	109.4880	0.000	2
893	310	956	0:SP3_SP3_SP3	O	Ge	N	4:3:	2:1:1:1:	4:4:2:	Ge-4:N-3:	O-2:H-1:H-1:H-1:	C-4:C-4:O-2:	O(GeH3)(NCC)	Ge(ON)(H)3	N(CH3)2(OGe)	O(GeH3)(NCC)	Ge(ON)(H)3	N(CH3)2(OGe)	104.6420	0.000	1	104.6420	0.000	1	104.6420	0.000	1	104.6420	0.000	1	104.4466	10.948	5	104.4466	10.948	5
893	310	956	0:SP3_SP3_SP3	O	Ge	N	4:3:	2:2:2:2:	4:4:2:	Ge-4:N-3:	O-2:O-2:O-2:O-2:	C-4:C-4:O-2:	O(GeO3)(NCC)	Ge(ON)4	N(CH3)2(OGe)	O(GeO3)(NCC)	Ge(ON)4	N(CH3)2(OGe)	104.3978	3.819	4	104.3978	14.581	4	104.3978	14.581	4	104.3978	14.581	4	104.4466	10.948	5	104.4466	10.948	5
893	338	930	0:SP2_SP2_SPD5	O	Ga[4x6]	C	5:3:	3:3:3:3:2:	2:4:1:	Ga[4x6]-5:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O-2:C-4:O-1:	O(Ga[4x6]N[5a,6,6]4)(CCO)	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC)	C(OGa[4x6])(CCHH)(O)	O(Ga[4x6]N[5a,6,6]4)(CCO)	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC){12|C<3>}	C(OGa[4x6])(CCHH)(O)	145.8160	0.000	1	145.8160	0.000	1	145.8160	0.000	1	145.8160	0.000	1	135.6015	208.672	2	135.6015	208.672	2
893	338	930	0:SP2_SP2_SPD5	O	Ga[4x6]	C	5:3:	3:3:3:3:2:	3:2:1:	Ga[4x6]-5:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[6a]-3:O-2:O-1:	O(Ga[4x6]N[5a,6,6]4)(CC[6a]O)	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC)	C(C[6a]C[6a]2)(OGa[4x6])(O)	O(Ga[4x6]N[5a,6,6]4)(CC[6a]O)	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OC){12|C<3>}	C(C[6a]C[6a]2)(OGa[4x6])(O)	125.3870	0.000	1	125.3870	0.000	1	125.3870	0.000	1	125.3870	0.000	1	135.6015	208.672	2	135.6015	208.672	2
893	338	992	0:SP3_SP3_SPD5	O	Ga[4x6]	P	5:4:	3:3:3:3:2:	3:2:2:1:	Ga[4x6]-5:P-4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[6]-3:O-2:O-2:O-1:	O(Ga[4x6]N[5a,6,6]4)(PC[6]OO)	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP)	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	O(Ga[4x6]N[5a,6,6]4)(PC[6]OO)	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OP){12|C<3>}	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	137.3690	0.000	1	137.3690	0.000	1	137.3690	0.000	1	137.3690	0.000	1	137.3690	0.000	1	137.3690	0.000	1
893	362	466	0:SP3_SP3_SPD6	O	C[5x3,5x5,20x6]	C[6]	6:4:	6:6:6:6:6:2:	2:3:3:4:	C[5x3,5x5,20x6]-6:C[6]-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	O-2:C[6]-3:C[6]-3:C-4:	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2C)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(OC[6])	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3)	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2C)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(OC[6]){1|B<6>,5|H<1>}	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.4960	0.000	1	121.4960	0.000	1	121.4960	0.000	1	121.4960	0.000	1	121.4960	0.000	1	121.4960	0.000	1
893	362	490	0:SP3_SP3_SPD6	O	C[5x3,5x5,20x6]	C	6:4:	6:6:6:6:6:2:	2:3:1:1:	C[5x3,5x5,20x6]-6:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	O-2:C-3:H-1:H-1:	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	C(OC[5x3,5x5,20x6])(CCO)(H)2	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,5|H<1>}	C(OC[5x3,5x5,20x6])(CCO)(H)2	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1
893	362	643	0:SP2_SP2_SPD6	O	C[5x3,5x5,20x6]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	O-2:C[6a]-3:C[6a]-3:	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(OC[6a])	C[6a](OC[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N)	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(OC[6a]){1|B<6>,5|H<1>}	C[6a](OC[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	117.2170	0.000	1	117.2170	0.000	1	117.2170	0.000	1	117.2170	0.000	1	117.2170	0.000	1	117.2170	0.000	1
893	362	930	0:SP2_SP2_SPD6	O	C[3]	C	6:3:	5:2:4:2:1:1:	3:2:1:	C[3]-6:C-3:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[6]-3:O-2:O-1:	O(C[3]C[3]H[3]CHH)(CC[6]O)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[6]C[6]2)(OC[3])(O)	O(C[3]C[3]H[3]CHH)(CC[6]O)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[6]C[6]2)(OC[3])(O)	115.3700	0.000	1	115.3700	0.000	1	115.3700	0.000	1	115.3700	0.000	1	115.3700	0.000	1	115.3700	0.000	1
893	362	945	0:SP3_SP3_SPD6	O	C[5x3,5x5,20x6]	P	6:3:	6:6:6:6:6:2:	2:4:4:	C[5x3,5x5,20x6]-6:P-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O-2:	O-2:C-4:C-4:	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(PCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(OP)	P(OC[5x3,5x5,20x6])(CCCH)2	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(PCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(OP){1|B<6>,1|O<2>,4|H<1>}	P(OC[5x3,5x5,20x6])(CCCH)2	121.9120	1.331	2	121.9120	1.771	2	121.9120	1.771	2	121.9120	1.771	2	121.9120	1.771	2	121.9120	1.771	2
893	362	951	0:SP3_SP-NON_SPD6	O	C[5x3,3x5,11x6]	H	6:1:	6:6:6:6:6:2:	2:	C[5x3,3x5,11x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,5x5,5x6]-6:O-2:	O-2:	O(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(H)	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]MoH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]MoH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(OH)	H(OC[5x3,3x5,11x6])	O(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(H)	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]MoH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]MoH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(OH){1|B<6>,1|C<3>,3|H<1>}	H(OC[5x3,3x5,11x6])	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1
893	394	490	0:SP3_SP3_SPD5	O	P[5,5]	C	5:4:	3:3:3:2:1:	2:4:4:4:	P[5,5]-5:C-4:	N[5,5]-3:N[5]-3:N[5]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(P[5,5]N[5,5]N[5]2H)(CC3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H)	C(OP[5,5])(CH3)3	O(P[5,5]N[5,5]N[5]2H)(CC3)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H){4|C<3>}	C(OP[5,5])(CH3)3	127.4430	0.000	1	127.4430	0.000	1	127.4430	0.000	1	127.4430	0.000	1	127.4430	0.000	1	123.3740	7.212	9
893	394	490	0:SP3_SP3_SPD5	O	P[5]	C	5:4:	2:2:2:2:2:	2:1:1:1:	P[5]-5:C-4:	O[5]-2:O[5]-2:O-2:O-2:O-2:	O-2:H-1:H-1:H-1:	O(P[5]O[5]2OO)(CH3)	P[5](O[5]C[5])2(OC)3	C(OP[5])(H)3	O(P[5]O[5]2OO)(CH3)	P[5](O[5]C[5])2(OC)3{1|C<4>,1|H<1>,2|C<3>}	C(OP[5])(H)3	123.9723	3.474	3	123.9723	12.068	3	123.9723	12.068	3	123.9723	12.068	3	122.8654	5.582	8	123.3740	7.212	9
893	394	490	0:SP3_SP3_SPD5	O	P[5]	C	5:4:	2:2:2:2:2:	2:4:1:1:	P[5]-5:C-4:	O[5]-2:O[5]-2:O-2:O-2:O-2:	O-2:C-4:H-1:H-1:	O(P[5]O[5]2OO)(CCHH)	P[5](O[5]C[5])2(OC[6a])2(OC)	C(OP[5])(CF3)(H)2	O(P[5]O[5]2OO)(CCHH)	P[5](O[5]C[5])2(OC[6a])2(OC){1|C<4>,3|H<1>}	C(OP[5])(CF3)(H)2	122.2012	1.505	5	122.2012	2.264	5	122.2012	2.264	5	122.2012	2.264	5	122.8654	5.582	8	123.3740	7.212	9
893	394	643	0:SP2_SP2_SPD5	O	P[5,5]	C[6a]	5:3:	3:3:3:2:1:	3:3:2:	P[5,5]-5:C[6a]-3:	N[5,5]-3:N[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OP[5,5])	O(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC[6a])(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(OP[5,5]){1|C<3>,2|H<1>}	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	2:2:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	O[5]-2:O[5]-2:O-2:O-2:N-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]O[5]2NO)(C[6a]C[6a]2)	P[5](O[5]C[5,6a])2(OC[6a])2(NC)	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]O[5]2NO)(C[6a]C[6a]2)	P[5](O[5]C[5,6a])2(OC[6a])2(NC){2|C<3>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	128.2315	0.790	2	128.2315	0.624	2	128.2315	0.624	2	126.7726	1.389	14	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	2:2:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]O[5]2OO)(C[6a]C[6a]2)	P[5](O[5]C[5])2(OC[6a])2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	O(P[5]O[5]2OO)(C[6a]C[6a]2)	P[5](O[5]C[5])2(OC[6a])2(OC){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	126.8268	0.950	6	126.8268	0.903	6	126.5295	1.133	12	126.7726	1.389	14	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	2:2:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]O[5]2OO)(C[6a]C[6a]2)	P[5](O[5]C[5])2(OC[6a])2(OC)	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]O[5]2OO)(C[6a]C[6a]2)	P[5](O[5]C[5])2(OC[6a])2(OC){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	125.5143	0.809	3	125.5143	0.655	3	126.5295	1.133	12	126.7726	1.389	14	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	2:2:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]O[5]2OO)(C[6a]C[6a]2)	P[5](O[5]C[5])2(OC[6a])3	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]O[5]2OO)(C[6a]C[6a]2)	P[5](O[5]C[5])2(OC[6a])3{1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	126.9500	1.116	3	126.9500	1.246	3	126.5295	1.133	12	126.7726	1.389	14	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	2:2:2:2:3:	3:3:2:	P[5]-5:C[6a]-3:	O[5]-2:O[5]-2:O-2:O-2:N-3:	C[6a]-3:C[6a]-3:O-2:	O(P[5]O[5]2NO)(C[6a]C[6a]2)	P[5](O[5]C[5,6a])2(OC[6a])2(NCC)	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]O[5]2NO)(C[6a]C[6a]2)	P[5](O[5]C[5,6a])2(OC[6a])2(NCC){2|C<3>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	128.3600	1.276	2	128.3600	1.627	2	129.2097	1.548	4	129.2097	1.548	4	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	2:2:2:2:3:	3:3:2:	P[5]-5:C[6a]-3:	O[5]-2:O[5]-2:O-2:O-2:N-3:	C[6a]-3:C[6a]-3:O-2:	O(P[5]O[5]2NO)(C[6a]C[6a]2)	P[5](O[5]C[5,6a])2(OC[6a])2(NHH)	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]O[5]2NO)(C[6a]C[6a]2)	P[5](O[5]C[5,6a])2(OC[6a])2(NHH){2|C<3>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	130.0595	0.359	2	130.0595	0.129	2	129.2097	1.548	4	129.2097	1.548	4	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:2:2:2:1:	3:3:2:	P[5]-5:C[6a]-3:	N[5]-3:O[5]-2:O-2:O-2:Cl-1:	C[6a]-3:C[6a]-3:O-2:	O(P[5]N[5]O[5]ClO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	O(P[5]N[5]O[5]ClO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(Cl){1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	121.0315	0.185	2	121.0315	0.034	2	121.0315	0.034	2	121.0315	0.034	2	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:2:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	C[6a]-3:O[5]-2:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]C[6a]O[5]2O)(C[6a]C[6a]2)	P[5](C[6a]C[6a]2)(O[5]C[5,6a])2(OC[6a])2	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]C[6a]O[5]2O)(C[6a]C[6a]2)	P[5](C[6a]C[6a]2)(O[5]C[5,6a])2(OC[6a])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	127.7705	0.639	2	127.7705	0.408	2	127.7705	0.408	2	127.9550	0.116	6	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:2:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	N[5]-3:O[5]-2:O-2:O-2:N-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC)	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC){1|O<2>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	128.0315	0.162	2	128.0315	0.026	2	128.0472	0.023	4	127.9550	0.116	6	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:2:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	N[5]-3:O[5]-2:O-2:O-2:N-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN)	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN){1|O<2>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	128.0630	0.202	2	128.0630	0.041	2	128.0472	0.023	4	127.9550	0.116	6	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:2:2:2:3:	3:3:2:	P[5]-5:C[6a]-3:	N[5]-3:O[5]-2:O-2:O-2:N-3:	C[6a]-3:C[6a]-3:O-2:	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH){1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	132.3585	0.917	2	132.3585	0.841	2	131.9253	0.973	4	131.9253	0.973	4	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:2:2:2:3:	3:3:2:	P[5]-5:C[6a]-3:	N[5]-3:O[5]-2:O-2:O-2:N-3:	C[6a]-3:C[6a]-3:O-2:	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH)	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]N[5]O[5]NO)(C[6a]C[6a]2)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH){1|O<2>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	131.4920	1.153	2	131.4920	1.328	2	131.9253	0.973	4	131.9253	0.973	4	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:3:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	126.7125	0.777	2	126.7125	0.604	2	127.0637	0.381	4	126.2827	4.757	10	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:3:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]C[6a]N[5]O[5]O)(C[6a]C[6a]2)	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	127.4150	0.216	2	127.4150	0.047	2	127.0637	0.381	4	126.2827	4.757	10	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:3:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5])	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OP[5]){1|C<3>,2|H<1>}	124.0465	0.377	4	124.0465	0.142	4	125.7620	7.521	6	126.2827	4.757	10	127.2994	6.785	40	127.1014	8.224	41
893	394	643	0:SP2_SP2_SPD5	O	P[5]	C[6a]	5:3:	3:3:2:2:2:	3:3:2:	P[5]-5:C[6a]-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[6a](C[6a]C[6a]C)2(OP[5])	O(P[5]N[5a]N[5]O[5]O)(C[6a]C[6a]2)	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(OP[5]){1|C<3>,2|H<1>}	129.1930	1.365	2	129.1930	1.862	2	125.7620	7.521	6	126.2827	4.757	10	127.2994	6.785	40	127.1014	8.224	41
893	394	930	0:SP2_SP2_SPD5	O	P[5,5]	C	5:3:	3:3:2:2:2:	2:3:1:	P[5,5]-5:C-3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:O-2:	O-2:N-3:O-1:	O(P[5,5]N[5]2O[5]2)(CNO)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC)	C(OP[5,5])(NCC)(O)	O(P[5,5]N[5]2O[5]2)(CNO)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC){2|C<4>,2|H<1>,2|O<1>}	C(OP[5,5])(NCC)(O)	125.7665	3.057	2	125.7665	9.344	2	125.7665	9.344	2	125.7665	9.344	2	125.8780	4.709	3	125.8780	4.709	3
893	394	930	0:SP2_SP2_SPD5	O	P[5,5]	C	5:3:	3:3:3:2:1:	3:2:1:	P[5,5]-5:C-3:	N[5,5]-3:N[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(P[5,5]N[5,5]N[5]2H)(CC[6a]O)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H)	C(C[6a]C[6a]2)(OP[5,5])(O)	O(P[5,5]N[5,5]N[5]2H)(CC[6a]O)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(OC)(H){4|C<3>}	C(C[6a]C[6a]2)(OP[5,5])(O)	126.1010	0.000	1	126.1010	0.000	1	126.1010	0.000	1	126.1010	0.000	1	125.8780	4.709	3	125.8780	4.709	3
893	402	951	0:SP3_SP-NON_SPD6	O	Ge[5]	H	6:1:	4:4:2:2:2:2:	2:	Ge[5]-6:H-1:	N[5]-4:N[5]-4:O-2:O-2:O-2:O-2:	O-2:	O(Ge[5]N[5]2O3)(H)	Ge[5](N[5]C[5]HH)2(OH)4	H(OGe[5])	O(Ge[5]N[5]2O3)(H)	Ge[5](N[5]C[5]HH)2(OH)4{4|H<1>}	H(OGe[5])	109.4650	0.011	2	109.4650	0.000	2	109.4650	0.000	2	109.4650	0.000	2	109.4650	0.000	2	109.4650	0.000	2
893	442	930	0:SP2_SP2_SPD5	O	B[3,3,5,4x6]	C	5:3:	6:6:6:2:1:	2:4:1:	B[3,3,5,4x6]-5:C-3:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:O-2:H-1:	O-2:C-4:O-1:	O(B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(CCO)	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(OC)(H)	C(OB[3,3,5,4x6])(CH3)(O)	O(B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(CCO)	B[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(OC)(H){1|B<5>,1|B<6>,4|H<1>}	C(OB[3,3,5,4x6])(CH3)(O)	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1
893	466	466	0:SP3_SP3_SP3	O	C[6,6]	C[6]	4:4:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[6]-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)2(OC[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)2(OC[6,6])(H){1|C<4>,4|H<1>}	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[3x6]	4:4:	4:2:2:1:	4:4:4:2:	C[3x6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H)	C[3x6](C[6,6]C[3x6]HH)3(OC[6])	O(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H){1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OC[6]){3|C<4>,3|H<1>}	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	3:2:2:1:	3:2:2:1:	C[6]-4:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:O[6]-2:O-2:H-1:	O(C[6]C[6,6a]O[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	O(C[6]C[6,6a]O[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	3:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HH)2(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC[6])(H){1|C<4>,4|H<1>}	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	3:3:2:2:	3:3:2:2:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	O(C[6]C[6,6a]2O)2	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt)	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt)	O(C[6]C[6,6a]2O)2	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt){2|P<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt){2|P<4>,5|C<3>}	123.3190	0.000	1	123.3190	0.000	1	123.3190	0.000	1	123.3190	0.000	1	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	3:4:2:1:	3:4:2:1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O(C[6]C[6,6a]C[5,6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	O(C[6]C[6,6a]C[5,6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	3:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<4>,2|C<4>,2|H<1>}	113.3695	0.896	2	113.3695	0.803	2	113.3695	0.803	2	113.3695	0.803	2	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	3:4:4:2:	3:4:4:2:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O(C[6]C[6a]C[6]2)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6])	O(C[6]C[6a]C[6]2)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6]){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6]){1|C<4>,3|C<3>,5|H<1>}	125.4650	0.000	1	125.4650	0.000	1	125.4650	0.000	1	125.4650	0.000	1	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	116.1450	0.000	1	116.1450	0.000	1	115.8140	0.219	2	114.2291	3.521	28	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	115.4830	0.000	1	115.4830	0.000	1	115.8140	0.219	2	114.2291	3.521	28	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	114.1175	0.424	2	114.1175	0.179	2	114.1175	0.179	2	114.2291	3.521	28	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	117.1110	0.000	1	117.1110	0.000	1	114.1063	3.881	24	114.2291	3.521	28	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	112.7907	0.065	3	112.7907	0.004	3	114.1063	3.881	24	114.2291	3.521	28	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H){2|C<4>,3|H<1>}	114.0950	0.593	3	114.0950	0.351	3	114.1063	3.881	24	114.2291	3.521	28	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	114.5670	0.000	1	114.5670	0.000	1	114.1063	3.881	24	114.2291	3.521	28	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	114.1385	2.223	16	114.1385	4.940	16	114.1063	3.881	24	114.2291	3.521	28	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:3:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|C<4>,3|H<1>}	115.0740	0.000	1	115.0740	0.000	1	115.0740	0.000	1	115.0740	0.000	1	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	114.5220	0.000	1	114.5220	0.000	1	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	113.2870	0.000	1	113.2870	0.000	1	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	115.0510	0.000	1	115.0510	0.000	1	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	113.7980	0.000	1	115.1129	2.459	7	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	115.3320	1.596	6	115.1129	2.459	7	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	115.0160	2.141	5	115.0160	4.582	5	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	118.5200	0.000	1	116.2660	10.161	2	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	114.0120	0.000	1	116.2660	10.161	2	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	116.0700	0.000	1	116.0700	0.000	1	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	114.4357	1.598	4	114.4357	2.554	4	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	117.5840	0.000	1	117.5840	0.000	1	115.1156	3.007	23	115.1970	3.036	24	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:3:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	117.8880	0.000	1	117.8880	0.000	1	118.2360	0.242	2	118.2360	0.242	2	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:3:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	118.5840	0.000	1	118.5840	0.000	1	118.2360	0.242	2	118.2360	0.242	2	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	3:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H){2|C<4>,3|H<1>}	113.6907	1.697	3	113.6907	2.881	3	113.9068	2.107	4	113.9068	2.107	4	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	3:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	114.5550	0.000	1	114.5550	0.000	1	113.9068	2.107	4	113.9068	2.107	4	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	113.8605	0.122	2	113.8605	0.015	2	114.1183	0.207	3	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	114.6340	0.000	1	114.6340	0.000	1	114.1183	0.207	3	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	114.6050	0.000	1	114.6050	0.000	1	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	115.0785	0.323	2	115.0785	0.104	2	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	118.7940	0.000	1	118.7940	0.000	1	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){2|C<3>,2|H<1>}	117.4753	0.706	4	117.4753	0.498	4	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|C<4>,4|H<1>}	115.8850	0.000	1	115.2955	0.695	2	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<3>,2|C<4>,2|H<1>}	114.7060	0.000	1	115.2955	0.695	2	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	116.0185	0.462	2	116.0185	0.213	2	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<1>,2|C<4>,2|H<1>}	119.2033	1.480	12	117.6744	3.405	92	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	118.3970	0.000	1	117.6744	3.405	92	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	117.8050	0.000	1	117.6744	3.405	92	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	117.0730	0.000	1	117.6744	3.405	92	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	117.4328	1.822	77	117.6744	3.405	92	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	115.9190	0.076	2	115.9190	0.006	2	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	115.1983	0.924	4	115.7770	4.278	11	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	116.1077	2.520	7	115.7770	4.278	11	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	115.7300	0.000	1	115.7300	0.000	1	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	113.1450	0.000	1	113.1450	0.000	1	117.2806	3.796	119	117.2028	3.947	122	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:3:2:1:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	117.7440	0.238	2	117.7440	0.056	2	117.7440	0.056	2	118.0033	0.230	3	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:3:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O(C[6]C[6]2H)2	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	118.0033	0.230	3	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]2H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,4|H<1>}	119.7450	0.000	1	119.7450	0.000	1	115.2213	16.596	3	115.2213	16.596	3	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H){1|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H){1|C<4>}	111.8420	0.000	1	111.8420	0.000	1	115.2213	16.596	3	115.2213	16.596	3	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	114.0770	0.000	1	114.0770	0.000	1	115.2213	16.596	3	115.2213	16.596	3	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:4:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	119.0500	0.206	2	119.0500	0.043	2	119.0500	0.043	2	119.0500	0.043	2	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:4:	4:4:2:4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:O-2:C-4:	O(C[6]C[6]2C)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	O(C[6]C[6]2C)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	129.8605	0.528	2	129.8605	0.279	2	129.7833	0.157	3	129.7833	0.157	3	116.6708	8.464	199	116.6605	8.430	201
893	466	466	0:SP3_SP3_SP3	O	C[6]	C[6]	4:4:	4:4:2:4:	4:4:2:4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:O-2:C-4:	O(C[6]C[6]2C)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3)	O(C[6]C[6]2C)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	129.6290	0.000	1	129.6290	0.000	1	129.7833	0.157	3	129.7833	0.157	3	116.6708	8.464	199	116.6605	8.430	201