490	930	969	0:SP3_SP-NON_SP2	C	C	Ga	3:4:3:1:	4:3:1:	3:2:4:	Ga-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:Ga-2:C-4:	C(GaC[6a]Ga)(CCHH)(CCH)(H)	C(CGaCH)(CCH)(H)	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C(GaC[6a]Ga)(CCHH)(CCH)(H)	C(CGaCH)(CCH)(H)	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	102.4850	0.000	1	102.4850	0.000	1	102.4850	0.000	1	102.4850	0.000	1	106.9876	5.647	7	106.9876	5.647	7
490	930	969	0:SP3_SP-NON_SP2	C	C	Ga	4:3:3:3:	4:3:2:	4:1:1:	Si-4:Ga-3:Ga-3:C-3:	C-4:C-3:C-2:	C-4:I-1:I-1:	C(SiC3)(GaII)2(CCC)	C(CGa2Si)(CCC)(CC)	Ga(CGaSiC)(I)2	C(SiC3)(GaII)2(CCC)	C(CGa2Si)(CCC)(CC)	Ga(CGaSiC)(I)2	108.6415	0.379	4	108.6415	0.144	4	108.6415	0.144	4	108.6415	0.144	4	106.9876	5.647	7	106.9876	5.647	7
490	930	969	0:SP3_SP-NON_SP2	C	C	Ga	4:4:3:3:	4:3:2:	4:1:1:	Ga-4:Si-4:Ga-3:C-3:	C-4:C-3:C-2:	C-4:I-1:I-1:	C(GaIIO)(SiC3)(GaII)(CCC)	C(CGa2Si)(CCC)(CC)	Ga(CGaSiC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	C(CGa2Si)(CCC)(CC)	Ga(CGaSiC)(I)2	105.9310	0.000	2	105.9310	0.000	2	105.9310	0.000	2	105.9310	0.000	2	106.9876	5.647	7	106.9876	5.647	7
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	2:4:1:	4:1:	C-3:C-2:H-1:H-1:	N-2:C-4:O-1:	C-4:N-1:	C(CNO)(CN)(H)2	C(NC[6a])(CCHH)(O)	C(CCHH)(N)	C(CNO)(CN)(H)2	C(NC[6a])(CCHH)(O)	C(CCHH)(N)	110.9510	0.000	1	110.9510	0.000	1	110.9510	0.000	1	110.9510	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:1:	4:1:	C-3:C-2:H-1:H-1:	C[5a]-3:C-4:O-1:	C-4:N-1:	C(CC[5a]O)(CN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(O)	C(CCHH)(N)	C(CC[5a]O)(CN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(O)	C(CCHH)(N)	112.3310	0.017	2	112.3310	0.000	2	112.3310	0.000	2	110.9223	1.133	12	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:1:	4:1:	C-3:C-2:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:N-1:	C(CC[6a]O)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(O)	C(CCHH)(N)	C(CC[6a]O)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(O)	C(CCHH)(N)	109.3200	0.201	2	109.3200	0.040	2	109.3200	0.040	2	110.9223	1.133	12	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:1:	4:1:	C-3:C-2:H-1:H-1:	N-3:C-4:O-1:	C-4:N-1:	C(CNO)(CN)(H)2	C(NC[5a]H)(CCHH)(O)	C(CCHH)(N)	C(CNO)(CN)(H)2	C(NC[5a]H)(CCHH)(O)	C(CCHH)(N)	111.3240	0.000	1	111.3240	0.000	1	110.8458	0.581	6	110.9223	1.133	12	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:1:	4:1:	C-3:C-2:H-1:H-1:	N-3:C-4:O-1:	C-4:N-1:	C(CNO)(CN)(H)2	C(NC[6]H)(CCHH)(O)	C(CCHH)(N)	C(CNO)(CN)(H)2	C(NC[6]H)(CCHH)(O)	C(CCHH)(N)	111.6500	0.000	1	111.6500	0.000	1	110.8458	0.581	6	110.9223	1.133	12	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:1:	4:1:	C-3:C-2:H-1:H-1:	N-3:C-4:O-1:	C-4:N-1:	C(CNO)(CN)(H)2	C(NC[6a]H)(CCHH)(O)	C(CCHH)(N)	C(CNO)(CN)(H)2	C(NC[6a]H)(CCHH)(O)	C(CCHH)(N)	110.5252	0.734	4	110.5252	0.539	4	110.8458	0.581	6	110.9223	1.133	12	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:1:	4:1:	C-3:C-2:H-1:H-1:	N[6]-3:C-4:O-1:	C-4:N-1:	C(CN[6]O)(CN)(H)2	C(N[6]C[6]2)(CCHH)(O)	C(CCHH)(N)	C(CN[6]O)(CN)(H)2	C(N[6]C[6]2)(CCHH)(O)	C(CCHH)(N)	111.3450	0.154	2	111.3450	0.024	2	111.3450	0.024	2	110.9223	1.133	12	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:3:	2:4:	C-3:C-2:H-1:H-1:	C[6]-3:C-4:C-3:	C-2:C-4:	C(CC[6]C)(CC)(H)2	C(C[6]C[6]2)(CCHH)(CHH)	C(CC[6a])(CCHH)	C(CC[6]C)(CC)(H)2	C(C[6]C[6]2)(CCHH)(CHH)	C(CC[6a])(CCHH)	115.7160	0.000	1	115.7160	0.000	1	115.7160	0.000	1	115.7160	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:3:	4:2:	C-3:C-2:H-1:H-1:	C[3]-3:C-4:C-3:	C-4:C-2:	C(CC[3]C)(CC)(H)2	C(C[3]C[3]2)(CCHH)(COO)	C(CCHH)(CC)	C(CC[3]C)(CC)(H)2	C(C[3]C[3]2)(CCHH)(COO)	C(CCHH)(CC)	108.9900	0.072	2	108.9900	0.005	2	108.9900	0.005	2	108.9900	0.005	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:4:	4:1:	C-3:C-2:H-1:H-1:	C-3:C-4:C-4:	C-4:N-1:	C(CCC)(CN)(H)2	C(CC[6a]2)(CCHH)(CF3)	C(CCHH)(N)	C(CCC)(CN)(H)2	C(CC[6a]2)(CCHH)(CF3)	C(CCHH)(N)	114.4040	0.000	1	114.4040	0.000	1	113.0470	2.402	3	113.0470	2.402	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	3:4:4:	4:1:	C-3:C-2:H-1:H-1:	C-3:C-4:C-4:	C-4:N-1:	C(CCC)(CN)(H)2	C(CN[5]I)(CCHH)2	C(CCHH)(N)	C(CCC)(CN)(H)2	C(CN[5]I)(CCHH)2	C(CCHH)(N)	112.3685	1.429	2	112.3685	2.042	2	113.0470	2.402	3	113.0470	2.402	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:1:1:	4:1:	C-3:C-2:H-1:H-1:	C-4:H-1:H-1:	C-4:N-1:	C(CHH)(CN)(H)2	C(CCHH)(H)2	C(CCHH)(N)	C(CHH)(CN)(H)2	C(CCHH)(H)2	C(CCHH)(N)	96.0939	0.000	1	96.0939	0.000	1	96.0939	0.000	1	105.1300	163.300	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:1:1:	4:1:	C-3:C-2:H-1:H-1:	C-4:O-1:O-1:	C-4:N-1:	C(COO)(CN)(H)2	C(CCHH)(O)2	C(CCHH)(N)	C(COO)(CN)(H)2	C(CCHH)(O)2	C(CCHH)(N)	114.1660	0.000	1	114.1660	0.000	1	114.1660	0.000	1	105.1300	163.300	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:1:1:	4:2:	C-3:C-2:H-1:H-1:	C-4:H-1:H-1:	C-4:C-2:	C(CHH)(CC)(H)2	C(CCHH)(H)2	C(CCHH)(CC)	C(CHH)(CC)(H)2	C(CCHH)(H)2	C(CCHH)(CC)	118.8410	18.860	2	118.8410	355.698	2	118.8410	355.698	2	118.8410	355.698	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:2:1:	4:1:	C-3:C-2:H-1:H-1:	C-4:O-2:O-1:	C-4:N-1:	C(COO)(CN)(H)2	C(CCHH)(OH)(O)	C(CCHH)(N)	C(COO)(CN)(H)2	C(CCHH)(OH)(O)	C(CCHH)(N)	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:2:1:	4:2:	C-3:C-2:H-1:H-1:	C-4:O-2:O-1:	C-4:N-2:	C(COO)(CN)(H)2	C(CCHH)(OC)(O)	C(CCHH)(NPt)	C(COO)(CN)(H)2	C(CCHH)(OC)(O)	C(CCHH)(NPt)	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:2:2:	4:1:	C-3:C-2:H-1:H-1:	C-4:O-2:O-2:	C-4:N-1:	C(COO)(CN)(H)2	C(CCHH)(OCr)2	C(CCHH)(N)	C(COO)(CN)(H)2	C(CCHH)(OCr)2	C(CCHH)(N)	113.5423	2.400	6	113.5423	5.761	6	113.5423	5.761	6	113.5423	5.761	6	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:3:1:	4:1:	C-3:C-2:H-1:H-1:	C-4:C-3:H-1:	C-4:H-1:	C(CCH)(CH)(H)2	C(CCHH)(CCH)(H)	C(CCHH)(H)	C(CCH)(CH)(H)2	C(CCHH)(CCH)(H)	C(CCHH)(H)	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	111.6836	6.859	21	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:3:1:	4:1:	C-3:C-2:H-1:H-1:	C-4:C-3:H-1:	C-4:N-1:	C(CCH)(CN)(H)2	C(CCHH)(CHH)(H)	C(CCHH)(N)	C(CCH)(CN)(H)2	C(CCHH)(CHH)(H)	C(CCHH)(N)	110.4740	9.044	2	110.4740	81.792	2	110.4740	81.792	2	111.6836	6.859	21	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:3:1:	4:1:	C-3:C-2:H-1:H-1:	C-4:C-3:O-1:	C-4:N-1:	C(CCO)(CN)(H)2	C(CCHH)(CCC)(O)	C(CCHH)(N)	C(CCO)(CN)(H)2	C(CCHH)(CCC)(O)	C(CCHH)(N)	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	111.6836	6.859	21	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:3:1:	4:1:	C-3:C-2:H-1:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(CNO)(CN)(H)2	C(CCHH)(NCC)(O)	C(CCHH)(N)	C(CNO)(CN)(H)2	C(CCHH)(NCC)(O)	C(CCHH)(N)	112.6430	0.000	1	112.6430	0.000	1	112.0233	2.414	17	111.6836	6.859	21	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:3:1:	4:1:	C-3:C-2:H-1:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(CNO)(CN)(H)2	C(CCHH)(NCH)(O)	C(CCHH)(N)	C(CNO)(CN)(H)2	C(CCHH)(NCH)(O)	C(CCHH)(N)	110.5920	1.421	2	110.5920	2.020	2	112.0233	2.414	17	111.6836	6.859	21	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:3:1:	4:1:	C-3:C-2:H-1:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(CNO)(CN)(H)2	C(CCHH)(NHN)(O)	C(CCHH)(N)	C(CNO)(CN)(H)2	C(CCHH)(NHN)(O)	C(CCHH)(N)	112.1835	1.563	14	112.1835	2.443	14	112.0233	2.414	17	111.6836	6.859	21	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:3:3:	4:1:	C-3:C-2:H-1:H-1:	C-4:C-3:C-3:	C-4:N-1:	C(CCC)(CN)(H)2	C(CCHH)(CCO)2	C(CCHH)(N)	C(CCC)(CN)(H)2	C(CCHH)(CCO)2	C(CCHH)(N)	111.5240	1.111	3	111.5240	1.233	3	111.5240	1.233	3	111.3723	0.914	4	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:1:1:	4:3:3:	4:1:	C-3:C-2:H-1:H-1:	C-4:N-3:C-3:	C-4:N-1:	C(CCN)(CN)(H)2	C(CCHH)(NPdH)(CCC)	C(CCHH)(N)	C(CCN)(CN)(H)2	C(CCHH)(NPdH)(CCC)	C(CCHH)(N)	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	111.3723	0.914	4	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:2:2:1:	4:3:1:	4:1:	C-3:C-2:O-2:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(CNO)(CN)(OH)(H)	C(CCHO)(NCH)(O)	C(CCHO)(N)	C(CNO)(CN)(OH)(H)	C(CCHO)(NCH)(O)	C(CCHO)(N)	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	3:4:1:	4:1:	C-3:C-3:C-2:H-1:	N-3:C-4:O-1:	C-4:N-1:	C(CNO)2(CN)(H)	C(NC[6a]H)(CCCH)(O)	C(CCCH)(N)	C(CNO)2(CN)(H)	C(NC[6a]H)(CCCH)(O)	C(CCCH)(N)	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	109.2460	2.073	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	3:4:1:	4:1:	C[6]-3:C-3:C-2:H-1:	N[5]-3:C-4:O-1:	C-4:N-1:	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C(N[5]C[5,6a]C[5])(CC[6]CH)(O)	C(CC[6]CH)(N)	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C(N[5]C[5,6a]C[5])(CC[6]CH)(O)	C(CC[6]CH)(N)	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	109.2460	2.073	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:1:1:	4:1:	C[6a]-3:C-3:C-2:H-1:	C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHH)(CH)(H)	C(CC[6a]CH)(H)2	C(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHH)(CH)(H)	C(CC[6a]CH)(H)2	C(CC[6a]CH)(H)	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:2:1:	4:1:	C-3:C-3:C-2:H-1:	C-4:N-2:O-1:	C-4:N-1:	C(CNO)2(CN)(H)	C(CCCH)(NC)(O)	C(CCCH)(N)	C(CNO)2(CN)(H)	C(CCCH)(NC)(O)	C(CCCH)(N)	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	109.3675	0.335	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:2:1:	4:1:	C[6a]-3:C-3:C-2:F-1:	C-4:O-2:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(COO)(CN)(F)	C(CC[6a]CF)(OC[6])(O)	C(CC[6a]CF)(N)	C(C[6a]C[6a]2)(COO)(CN)(F)	C(CC[6a]CF)(OC[6])(O)	C(CC[6a]CF)(N)	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.3675	0.335	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:3:1:	4:1:	C-3:C-3:C-2:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(CNO)(CNS)(CN)(H)	C(CCCH)(NCC)(O)	C(CCCH)(N)	C(CNO)(CNS)(CN)(H)	C(CCCH)(NCC)(O)	C(CCCH)(N)	109.4663	1.074	3	109.4663	1.154	3	109.3974	0.820	10	109.6803	1.651	20	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:3:1:	4:1:	C-3:C-3:C-2:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(CNO)(CNS)(CN)(H)	C(CCCH)(NCH)(O)	C(CCCH)(N)	C(CNO)(CNS)(CN)(H)	C(CCCH)(NCH)(O)	C(CCCH)(N)	109.9213	0.606	3	109.9213	0.368	3	109.3974	0.820	10	109.6803	1.651	20	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:3:1:	4:1:	C-3:C-3:C-2:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(CNO)2(CN)(H)	C(CCCH)(NCH)(O)	C(CCCH)(N)	C(CNO)2(CN)(H)	C(CCCH)(NCH)(O)	C(CCCH)(N)	108.9527	0.950	4	108.9527	0.902	4	109.3974	0.820	10	109.6803	1.651	20	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:3:1:	4:1:	C-3:C-3:C-2:H-1:	C-4:N-3:S-1:	C-4:N-1:	C(CNO)(CNS)(CN)(H)	C(CCCH)(NCH)(S)	C(CCCH)(N)	C(CNO)(CNS)(CN)(H)	C(CCCH)(NCH)(S)	C(CCCH)(N)	110.1057	1.940	6	110.1057	3.762	6	110.1057	3.762	6	109.6803	1.651	20	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:3:1:	4:1:	C[5a]-3:C-3:C-2:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(C[5a]C[5a]2)(CNO)(CN)(H)	C(CC[5a]CH)(NHH)(O)	C(CC[5a]CH)(N)	C(C[5a]C[5a]2)(CNO)(CN)(H)	C(CC[5a]CH)(NHH)(O)	C(CC[5a]CH)(N)	109.9675	1.051	2	109.9675	1.106	2	109.9675	1.106	2	109.6803	1.651	20	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:3:1:	4:1:	C[6]-3:C-3:C-2:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(C[6]C[6]2)(CNO)(CN)(H)	C(CC[6]CH)(NC[6a]H)(O)	C(CC[6]CH)(N)	C(C[6]C[6]2)(CNO)(CN)(H)	C(CC[6]CH)(NC[6a]H)(O)	C(CC[6]CH)(N)	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	109.6803	1.651	20	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:3:1:	4:1:	C[6a]-3:C-3:C-2:H-1:	C-4:N-3:O-1:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	C(CC[6a]CH)(NHH)(O)	C(CC[6a]CH)(N)	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	C(CC[6a]CH)(NHH)(O)	C(CC[6a]CH)(N)	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	109.6803	1.651	20	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:3:1:	4:2:	C[6a]-3:C-3:C-2:H-1:	C-4:C-3:H-1:	C-4:C-2:	C(C[6a]C[6a,6a]C[6a])(CCH)(CC)(H)	C(CC[6a]CH)(CC[6a]2)(H)	C(CC[6a]CH)(CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(CC)(H)	C(CC[6a]CH)(CC[6a]2)(H)	C(CC[6a]CH)(CH)	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:1:	4:4:1:	4:1:	C[6a]-3:C-3:C-2:H-1:	C-4:C-4:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCO)(CN)(H)	C(CC[6a]CC)(CC[6a]CH)(O)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCO)(CN)(H)	C(CC[6a]CC)(CC[6a]CH)(O)	C(CC[6a]CH)(N)	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:2:	3:4:1:	4:2:	C[6a]-3:C-3:C-2:O-2:	C[6a]-3:C-4:O-1:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C(CC[6a]CO)(CC[6a])	107.4755	0.401	2	107.4755	0.161	2	107.4755	0.161	2	107.4755	0.161	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:2:	4:3:3:	2:4:	C-3:N-3:C-2:C-2:	C-4:C-3:C-3:	C-2:C-4:	C(CCC)(NCC)(CC)2	C(CCCN)(CCH)(COO)	C(CC[6a])(CCCN)	C(CCC)(NCC)(CC)2	C(CCCN)(CCH)(COO)	C(CC[6a])(CCCN)	109.6195	3.320	2	109.6195	11.022	2	109.6195	11.022	2	109.6195	11.022	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:2:2:	4:4:1:	4:2:	C[6a]-3:C-3:C-2:O-2:	C-4:C-4:O-1:	C-4:C-2:	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	C(CC[6a]CO)(CCCH)(O)	C(CC[6a]CO)(CH)	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	C(CC[6a]CO)(CCCH)(O)	C(CC[6a]CO)(CH)	113.1290	0.000	1	113.1290	0.000	1	113.1290	0.000	1	113.1290	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	3:4:4:	2:4:	C-3:C-3:C-3:C-2:	C-3:C-4:C-4:	C-2:C-4:	C(CCC)(COO)2(CC)	C(CC[6a]H)(CCCH)(CC3)	C(CC[6a])(CC3)	C(CCC)(COO)2(CC)	C(CC[6a]H)(CCCH)(CC3)	C(CC[6a])(CC3)	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:1:1:	4:2:	C-3:C-3:C-3:C-2:	C-4:H-1:H-1:	C-4:N-2:	C(CHH)3(CN)	C(CC3)(H)2	C(CC3)(NW)	C(CHH)3(CN)	C(CC3)(H)2	C(CC3)(NW)	108.9613	2.248	3	108.9613	5.053	3	108.9613	5.053	3	108.9613	5.053	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:2:1:	2:4:	C-3:C-3:C-3:C-2:	C-4:O-2:O-1:	C-2:C-4:	C(CCC)(COO)2(CC)	C(CC3)(OC)(O)	C(CC[6a])(CC3)	C(CCC)(COO)2(CC)	C(CC3)(OC)(O)	C(CC[6a])(CC3)	107.2425	0.824	2	107.2425	0.679	2	107.2425	0.679	2	107.2425	0.679	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:2:1:	4:1:	C[6a]-3:C-3:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCH)(COO)(CN)	C(CC[6a]CC)(OC)(O)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCH)(COO)(CN)	C(CC[6a]CC)(OC)(O)	C(CC[6a]CC)(N)	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	109.4090	3.284	5	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:2:1:	4:1:	C[6a]-3:C-3:N-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(COO)(NCC)(CN)	C(CC[6a]CN)(OC)(O)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(COO)(NCC)(CN)	C(CC[6a]CN)(OC)(O)	C(CC[6a]CN)(N)	110.9595	0.199	2	110.9595	0.039	2	110.6833	0.249	3	109.4090	3.284	5	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:2:1:	4:1:	C[6a]-3:C-3:N-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(COO)(NCN)(CN)	C(CC[6a]CN)(OC)(O)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(COO)(NCN)(CN)	C(CC[6a]CN)(OC)(O)	C(CC[6a]CN)(N)	110.1310	0.000	1	110.1310	0.000	1	110.6833	0.249	3	109.4090	3.284	5	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:2:1:	4:1:	C[6a]-3:N-3:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6a]H)(COO)(CN)	C(CC[6a]CN)(OC)(O)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(CN)	C(CC[6a]CN)(OC)(O)	C(CC[6a]CN)(N)	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	109.4090	3.284	5	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:3:1:	4:1:	C[6a]-3:C-3:C-3:C-2:	C-4:C-3:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCH)(COO)(CN)	C(CC[6a]CC)(CCH)(H)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCH)(COO)(CN)	C(CC[6a]CC)(CCH)(H)	C(CC[6a]CC)(N)	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	109.2370	3.458	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:3:1:	4:1:	C[6a]-3:C-3:N-3:C-2:	C-4:C-3:Cl-1:	C-4:N-1:	C(C[6a]C[6a]2)(CClC)(NCC)(CN)	C(CC[6a]CN)(CClH)(Cl)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(CClC)(NCC)(CN)	C(CC[6a]CN)(CClH)(Cl)	C(CC[6a]CN)(N)	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	109.2370	3.458	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:3:2:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	C-4:C-3:C-2:	C-4:C-2:	C(C[6a]C[6a]2)2(CCC)(CC)	C(CC[6a]2C)(CC[6a]O)(CC)	C(CC[6a]2C)(CC)	C(C[6a]C[6a]2)2(CCC)(CC)	C(CC[6a]2C)(CC[6a]O)(CC)	C(CC[6a]2C)(CC)	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:3:3:2:	4:4:2:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	C-4:C-4:C-2:	C-4:C-2:	C(C[6a]C[6a]2)2(CCC)(CC)	C(CC[6a]2C)(CCHH)(CC)	C(CC[6a]2C)(CRu)	C(C[6a]C[6a]2)2(CCC)(CC)	C(CC[6a]2C)(CCHH)(CC)	C(CC[6a]2C)(CRu)	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:2:1:	3:4:1:	4:1:	C-3:C-4:C-2:H-1:	C[6a]-3:C-4:O-1:	C-4:N-1:	C(CC[6a]O)(CCHH)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(O)	C(CCCH)(N)	C(CC[6a]O)(CCHH)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(O)	C(CCCH)(N)	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:2:2:	3:4:1:	4:1:	C-3:C-4:C-2:O-2:	C[6a]-3:C-4:O-1:	C-4:N-1:	C(CC[6a]O)(CCHH)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(O)	C(CCCO)(N)	C(CC[6a]O)(CCHH)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(O)	C(CCCO)(N)	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:2:2:	3:4:1:	4:2:	C-3:C-4:C-2:O-2:	N[5]-3:C-4:O-1:	C-4:C-2:	C(CN[5]O)(CH3)(CC)(OH)	C(N[5]C[5,6a]C[5])(CCCO)(O)	C(CCCO)(CH)	C(CN[5]O)(CH3)(CC)(OH)	C(N[5]C[5,6a]C[5])(CCCO)(O)	C(CCCO)(CH)	109.5825	1.262	2	109.5825	1.593	2	109.5825	1.593	2	109.5825	1.593	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:2:2:	3:4:3:	4:1:	C-3:C-4:C-2:C-2:	C[6a]-3:C-4:C-3:	C-4:N-1:	C(CC[6a]C)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC3)(CCC)	C(CC3)(N)	C(CC[6a]C)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC3)(CCC)	C(CC3)(N)	112.1300	2.209	2	112.1300	4.880	2	111.3720	2.714	4	111.3720	2.714	4	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:2:2:	3:4:3:	4:1:	C-3:C-4:C-2:C-2:	C[6a]-3:C-4:C-3:	C-4:N-1:	C(CC[6a]C)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(CCH)	C(CC3)(N)	C(CC[6a]C)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(CCH)	C(CC3)(N)	110.6140	0.981	2	110.6140	0.963	2	111.3720	2.714	4	111.3720	2.714	4	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:3:2:	4:2:1:	2:4:	N-3:C-4:C-3:C-2:	C-4:O-2:O-1:	C-2:C-4:	C(NC[6a]H)(CF3)(COO)(CC)	C(CCCN)(OC)(O)	C(CC[5a])(CCCN)	C(NC[6a]H)(CF3)(COO)(CC)	C(CCCN)(OC)(O)	C(CC[5a])(CCCN)	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:3:2:	4:2:1:	4:1:	C[6a]-3:C-4:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C(CC[6a]CC)(OC)(O)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C(CC[6a]CC)(OC)(O)	C(CC[6a]CC)(N)	106.6340	0.000	1	106.6340	0.000	1	106.6340	0.000	1	108.9771	3.830	7	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:3:2:	4:2:1:	4:1:	C[6a]-3:C[5]-4:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(CN)	C(CC[6a]C[5]C)(OC)(O)	C(CC[6a]C[5]C)(N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(CN)	C(CC[6a]C[5]C)(OC)(O)	C(CC[6a]C[5]C)(N)	105.7090	0.000	1	105.7090	0.000	1	105.7090	0.000	1	108.9771	3.830	7	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:3:2:	4:2:1:	4:1:	C[6a]-3:C[6]-4:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C(CC[6a]C[6]C)(OC)(O)	C(CC[6a]C[6]C)(N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C(CC[6a]C[6]C)(OC)(O)	C(CC[6a]C[6]C)(N)	110.0994	0.358	5	110.0994	0.128	5	110.0994	0.128	5	108.9771	3.830	7	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:3:2:	4:2:3:	4:1:	C[6a]-3:C-4:C-3:C-2:	C-4:O-2:C-3:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C(CC[6a]CC)(OC[6a])(CCI)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C(CC[6a]CC)(OC[6a])(CCI)	C(CC[6a]CC)(N)	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:3:2:	4:4:1:	4:1:	C[6a]-3:C-4:C-3:C-2:	C-4:C-4:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C(CC[6a]CC)2(O)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C(CC[6a]CC)2(O)	C(CC[6a]CC)(N)	111.3635	0.094	2	111.3635	0.009	2	111.3973	2.282	7	111.3973	2.282	7	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:3:2:	4:4:1:	4:1:	C[6a]-3:C-4:C-3:C-2:	C-4:C-4:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C(CC[6a]CC)(CH3)(O)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C(CC[6a]CC)(CH3)(O)	C(CC[6a]CC)(N)	110.0450	0.000	1	110.0450	0.000	1	111.3973	2.282	7	111.3973	2.282	7	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:3:2:	4:4:1:	4:1:	C[6a]-3:C-4:C-3:C-2:	C-4:C-4:O-1:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C(CC[6a]CC)2(O)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C(CC[6a]CC)2(O)	C(CC[6a]CC)(N)	111.7523	1.945	4	111.7523	3.784	4	111.3973	2.282	7	111.3973	2.282	7	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:4:2:	3:4:1:	2:4:	C-3:C-4:C-4:C-2:	C[6a]-3:C-4:O-1:	C-2:C-4:	C(CC[6a]O)(CH3)2(CC)	C(C[6a]C[6a]N[6a])(CC3)(O)	C(CC[6a])(CC3)	C(CC[6a]O)(CH3)2(CC)	C(C[6a]C[6a]N[6a])(CC3)(O)	C(CC[6a])(CC3)	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	3:4:4:2:	3:4:2:	2:4:	C-3:C-4:C-4:C-2:	C[6a]-3:C-4:N-2:	C-2:C-4:	C(CC[6a]N)(CCHH)(CH3)(CC)	C(C[6a]C[6a]2)(CC3)(NN)	C(CC[6a])(CC3)	C(CC[6a]N)(CCHH)(CH3)(CC)	C(C[6a]C[6a]2)(CC3)(NN)	C(CC[6a])(CC3)	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:1:	3:4:1:	4:1:	C-4:C-3:C-2:H-1:	C-3:C-4:H-1:	C-4:N-1:	C(CB[5]HH)(CCH)(CN)(H)	C(CC[6a]H)(CCCH)(H)	C(CCCH)(N)	C(CB[5]HH)(CCH)(CN)(H)	C(CC[6a]H)(CCCH)(H)	C(CCCH)(N)	108.3380	1.748	2	108.3380	3.055	2	108.3380	3.055	2	108.8920	1.616	6	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:1:	3:4:1:	4:1:	C-4:C-3:C-2:H-1:	C[5a]-3:C-4:O-1:	C-4:N-1:	C(CC[6a]HH)(CC[5a]O)(CN)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(O)	C(CCCH)(N)	C(CC[6a]HH)(CC[5a]O)(CN)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(O)	C(CCCH)(N)	109.1690	1.169	4	109.1690	1.368	4	109.1690	1.368	4	108.8920	1.616	6	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:1:	4:2:1:	4:1:	C-4:C-3:C-2:H-1:	C-4:O-2:O-1:	C-4:N-1:	C(CC[6a]CH)(COO)(CN)(H)	C(CCCH)(OC)(O)	C(CCCH)(N)	C(CC[6a]CH)(COO)(CN)(H)	C(CCCH)(OC)(O)	C(CCCH)(N)	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	108.6027	1.184	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:1:	4:2:1:	4:1:	C[5]-4:C-3:C-2:H-1:	C-4:O-2:O-1:	C-4:N-1:	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	C(CC[5]CH)(OC)(O)	C(CC[5]CH)(N)	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	C(CC[5]CH)(OC)(O)	C(CC[5]CH)(N)	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	108.6027	1.184	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:1:	4:2:1:	4:1:	C[6]-4:C-3:C-2:H-1:	C-4:O-2:O-1:	C-4:N-1:	C(C[6]C[6]2H)(COO)(CN)(H)	C(CC[6]CH)(OC)(O)	C(CC[6]CH)(N)	C(C[6]C[6]2H)(COO)(CN)(H)	C(CC[6]CH)(OC)(O)	C(CC[6]CH)(N)	108.7410	0.000	1	108.7410	0.000	1	108.7410	0.000	1	108.6027	1.184	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:1:	4:3:1:	2:4:	C-4:C-3:C-2:H-1:	C-4:C-3:H-1:	C-2:C-4:	C(CCHO)(CCH)(CC)(H)	C(CCCH)(CHH)(H)	C(CC[6])(CCCH)	C(CCHO)(CCH)(CC)(H)	C(CCCH)(CHH)(H)	C(CC[6])(CCCH)	116.8510	0.000	1	116.8510	0.000	1	114.8957	3.137	3	114.8957	3.137	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:1:	4:3:1:	2:4:	C-4:C-3:C-2:H-1:	C-4:C-3:H-1:	C-2:C-4:	C(CHHO)(CCH)(CC)(H)	C(CCCH)(CHH)(H)	C(CC[6a])(CCCH)	C(CHHO)(CCH)(CC)(H)	C(CCCH)(CHH)(H)	C(CC[6a])(CCCH)	113.9180	0.734	2	113.9180	0.539	2	114.8957	3.137	3	114.8957	3.137	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:1:	4:3:1:	4:1:	C[3x6]-4:C-3:C-2:H-1:	C-4:C-3:Br-1:	C-4:N-1:	C(C[3x6]C[6,6]3)(CBrC)(CN)(H)	C(CC[3x6]CH)(CHH)(Br)	C(CC[3x6]CH)(N)	C(C[3x6]C[6,6]3)(CBrC)(CN)(H)	C(CC[3x6]CH)(CHH)(Br)	C(CC[3x6]CH)(N)	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:1:	4:3:3:	4:2:	C[5]-4:C-3:C-2:H-1:	C-4:C-3:C-3:	C-4:C-2:	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	C(CC[5]CH)(CHH)(COO)	C(CC[5]CH)(CH)	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	C(CC[5]CH)(CHH)(COO)	C(CC[5]CH)(CH)	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:2:	3:4:1:	4:1:	C-4:C-3:C-2:N-2:	N-3:C-4:O-1:	C-4:N-1:	C(CH3)(CNO)(CN)(NC)	C(NC[6a]C)(CCCN)(O)	C(CCCN)(N)	C(CH3)(CNO)(CN)(NC)	C(NC[6a]C)(CCCN)(O)	C(CCCN)(N)	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:2:	4:2:1:	2:4:	C-4:C-3:C-2:O-2:	C-4:O-2:O-1:	C-2:C-4:	C(CC[5a]HH)(COO)(CC)(OH)	C(CCCO)(OC)(O)	C(CC[6a])(CCCO)	C(CC[5a]HH)(COO)(CC)(OH)	C(CCCO)(OC)(O)	C(CC[6a])(CCCO)	107.9130	0.000	1	107.9130	0.000	1	109.7120	6.473	2	109.7120	6.473	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:2:	4:2:1:	2:4:	C-4:C-3:C-2:O-2:	C-4:O-2:O-1:	C-2:C-4:	C(CF3)(COO)(CC)(OH)	C(CCCO)(OH)(O)	C(CC[6a])(CCCO)	C(CF3)(COO)(CC)(OH)	C(CCCO)(OH)(O)	C(CC[6a])(CCCO)	111.5110	0.000	1	111.5110	0.000	1	109.7120	6.473	2	109.7120	6.473	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:2:	4:2:1:	4:1:	C-4:C-3:C-2:O-2:	C-4:O-2:O-1:	C-4:N-1:	C(CCHH)(COO)(CN)(OC)	C(CCCO)(OH)(O)	C(CCCO)(N)	C(CCHH)(COO)(CN)(OC)	C(CCCO)(OH)(O)	C(CCCO)(N)	111.6440	0.000	1	111.6440	0.000	1	112.4080	1.167	2	112.4080	1.167	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:2:	4:2:1:	4:1:	C-4:C-3:C-2:O-2:	C-4:O-2:O-1:	C-4:N-1:	C(CC[6a]HN)(COO)(CN)(OC)	C(CCCO)(OC)(O)	C(CCCO)(N)	C(CC[6a]HN)(COO)(CN)(OC)	C(CCCO)(OC)(O)	C(CCCO)(N)	113.1720	0.000	1	113.1720	0.000	1	112.4080	1.167	2	112.4080	1.167	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:2:	4:3:1:	2:4:	N-4:C-3:C-2:C-2:	C-4:C-3:H-1:	C-2:C-4:	C(NCCH)(CCH)(CC)2	C(CCCN)(CCH)(H)	C(CC[6a])(CCCN)	C(NCCH)(CCH)(CC)2	C(CCCN)(CCH)(H)	C(CC[6a])(CCCN)	108.6040	5.151	2	108.6040	26.528	2	108.6040	26.528	2	108.6040	26.528	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:2:2:	4:3:1:	4:1:	C-4:C-3:C-2:O-2:	C-4:N-3:O-1:	C-4:N-1:	C(CC[6a]BrH)(CNO)(CN)(OH)	C(CCCO)(NHH)(O)	C(CCCO)(N)	C(CC[6a]BrH)(CNO)(CN)(OH)	C(CCCO)(NHH)(O)	C(CCCO)(N)	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	2:4:4:	4:1:	C-4:C-3:C-3:C-2:	N-2:C-4:C-4:	C-4:N-1:	C(CC[5a]HH)(CCN)(COO)(CN)	C(NC[6a])(CC3)(CF3)	C(CC3)(N)	C(CC[5a]HH)(CCN)(COO)(CN)	C(NC[6a])(CC3)(CF3)	C(CC3)(N)	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	3:3:4:	4:1:	C-4:C-3:C-3:C-2:	C-3:C-3:C-4:	C-4:N-1:	C(CCCH)(CCC)(COO)(CN)	C(CC[6a]H)(CC[6a]O)(CC3)	C(CC3)(N)	C(CCCH)(CCC)(COO)(CN)	C(CC[6a]H)(CC[6a]O)(CC3)	C(CC3)(N)	109.9615	0.275	2	109.9615	0.076	2	110.0503	0.062	3	110.0503	0.062	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	3:3:4:	4:1:	C-4:C-3:C-3:C-2:	C-3:C-3:C-4:	C-4:N-1:	C(CCHH)(CCC)(COO)(CN)	C(CC[6a]H)(CC[6a]O)(CC3)	C(CC3)(N)	C(CCHH)(CCC)(COO)(CN)	C(CC[6a]H)(CC[6a]O)(CC3)	C(CC3)(N)	110.2280	0.000	1	110.2280	0.000	1	110.0503	0.062	3	110.0503	0.062	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	4:1:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:H-1:H-1:	C-4:N-1:	C(CH3)(CCH)(CHH)(CN)	C(CC3)(H)2	C(CC3)(N)	C(CH3)(CCH)(CHH)(CN)	C(CC3)(H)2	C(CC3)(N)	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.9530	0.193	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	4:1:1:	4:1:	C[4]-4:C-3:C-3:C-2:	C-4:H-1:H-1:	C-4:H-1:	C(C[4]C[4,6]C[4]H)(CHH)2(CH)	C(CC[4]CC)(H)2	C(CC[4]CC)(H)	C(C[4]C[4,6]C[4]H)(CHH)2(CH)	C(CC[4]CC)(H)2	C(CC[4]CC)(H)	107.9625	0.620	2	107.9625	0.385	2	107.9625	0.385	2	107.9530	0.193	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	4:2:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(CCCH)(CCC)(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	C(CCCH)(CCC)(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	107.9185	1.674	2	107.9185	2.801	2	107.1813	1.277	8	107.1813	1.277	8	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	4:2:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(CCHH)(CCC)(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	C(CCHH)(CCC)(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	107.9410	0.000	1	107.9410	0.000	1	107.1813	1.277	8	107.1813	1.277	8	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	4:2:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(CCHH)(CCH)(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	C(CCHH)(CCH)(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	106.8910	0.997	4	106.8910	0.995	4	107.1813	1.277	8	107.1813	1.277	8	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	4:2:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(CC[5a]HH)(CCN)(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	C(CC[5a]HH)(CCN)(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	106.1080	0.000	1	106.1080	0.000	1	107.1813	1.277	8	107.1813	1.277	8	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	4:3:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:C-3:H-1:	C-4:N-1:	C(CCHH)(CCH)(COO)(CN)	C(CC3)(CCH)(H)	C(CC3)(N)	C(CCHH)(CCH)(COO)(CN)	C(CC3)(CCH)(H)	C(CC3)(N)	110.7062	0.469	4	110.7062	0.220	4	110.7482	0.174	5	110.7482	0.174	5	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	4:3:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:C-3:H-1:	C-4:N-1:	C(CH3)(CCH)(CHH)(CN)	C(CC3)(CCH)(H)	C(CC3)(N)	C(CH3)(CCH)(CHH)(CN)	C(CC3)(CCH)(H)	C(CC3)(N)	110.9160	0.000	1	110.9160	0.000	1	110.7482	0.174	5	110.7482	0.174	5	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:3:2:	4:4:1:	4:2:	C-4:C-3:N-3:C-2:	C-4:C-4:O-1:	C-4:C-2:	C(CCHO)(CCO)(NHS)(CC)	C(CCCN)(CH3)(O)	C(CCCN)(CH)	C(CCHO)(CCO)(NHS)(CC)	C(CCCN)(CH3)(O)	C(CCCN)(CH)	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:3:4:2:	3:4:1:	4:1:	C-4:C-3:C-4:C-2:	C[6a]-3:C-4:O-1:	C-4:N-1:	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C(C[6a]C[6a]2)(CC3)(O)	C(CC3)(N)	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C(C[6a]C[6a]2)(CC3)(O)	C(CC3)(N)	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	3:4:2:	4:1:	C-4:C-4:C-3:C-2:	C-3:C-4:S-2:	C-4:N-1:	C(CH3)2(CCS)(CN)	C(CC[6a]S)(CC3)(SMo)	C(CC3)(N)	C(CH3)2(CCS)(CN)	C(CC[6a]S)(CC3)(SMo)	C(CC3)(N)	109.0080	0.000	1	109.0080	0.000	1	108.9095	0.019	2	108.9095	0.019	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	3:4:2:	4:1:	C-4:C-4:C-3:C-2:	C-3:C-4:S-2:	C-4:N-1:	C(CH3)2(CCS)(CN)	C(CC[6a]S)(CC3)(SW)	C(CC3)(N)	C(CH3)2(CCS)(CN)	C(CC[6a]S)(CC3)(SW)	C(CC3)(N)	108.8110	0.000	1	108.8110	0.000	1	108.9095	0.019	2	108.9095	0.019	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:1:1:	4:2:	C-4:C-4:C-3:C-2:	C-4:H-1:O-1:	C-4:C-2:	C(CH3)2(CHO)(CC)	C(CC3)(H)(O)	C(CC3)(CC)	C(CH3)2(CHO)(CC)	C(CC3)(H)(O)	C(CC3)(CC)	106.1500	0.000	1	106.1500	0.000	1	106.1500	0.000	1	106.1500	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:2:1:	2:4:	C-4:C-4:C-3:C-2:	C-4:O-2:O-1:	C-2:C-4:	C(CH3)2(COO)(CC)	C(CC3)(OH)(O)	C(CC[6a])(CC3)	C(CH3)2(COO)(CC)	C(CC3)(OH)(O)	C(CC[6a])(CC3)	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:2:1:	4:1:	C-4:C-4:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(CC[6a]HH)2(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	C(CC[6a]HH)2(COO)(CN)	C(CC3)(OC)(O)	C(CC3)(N)	112.0990	0.000	1	112.0990	0.000	1	112.0990	0.000	1	112.0705	0.002	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:2:1:	4:1:	C-4:S-4:C-3:C-2:	C-4:O-2:O-1:	C-4:N-1:	C(CC[6a]HH)(SC[6a]OO)(COO)(CN)	C(CCCS)(OC)(O)	C(CCCS)(N)	C(CC[6a]HH)(SC[6a]OO)(COO)(CN)	C(CCCS)(OC)(O)	C(CCCS)(N)	112.0420	0.000	1	112.0420	0.000	1	112.0420	0.000	1	112.0705	0.002	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:2:2:	4:1:	C-4:C-4:C-3:C-2:	C-4:O-2:O-2:	C-4:H-1:	C(CH3)2(COO)(CH)	C(CC3)(ONi)2	C(CC3)(H)	C(CH3)2(COO)(CH)	C(CC3)(ONi)2	C(CC3)(H)	105.7060	0.000	1	105.7060	0.000	1	107.8120	8.870	2	107.8120	8.870	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:2:2:	4:1:	C-4:C-4:C-3:C-2:	C-4:O-2:O-2:	C-4:H-1:	C(CH3)2(COO)(CH)	C(CC3)(ORu)2	C(CC3)(H)	C(CH3)2(COO)(CH)	C(CC3)(ORu)2	C(CC3)(H)	109.9180	0.000	1	109.9180	0.000	1	107.8120	8.870	2	107.8120	8.870	2	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:3:1:	4:1:	C-4:C-4:C-3:C-2:	C-4:C-3:H-1:	C-4:N-1:	C(CCHH)2(CCH)(CN)	C(CC3)(CHH)(H)	C(CC3)(N)	C(CCHH)2(CCH)(CN)	C(CC3)(CHH)(H)	C(CC3)(N)	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	112.1967	5.770	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:3:1:	4:1:	C-4:C-4:C-3:C-2:	C-4:N-3:O-1:	C-4:H-1:	C(CH3)2(CNO)(CH)	C(CC3)(NCO)(O)	C(CC3)(H)	C(CH3)2(CNO)(CH)	C(CC3)(NCO)(O)	C(CC3)(H)	114.9000	0.000	1	114.9000	0.000	1	114.9000	0.000	1	112.1967	5.770	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:3:1:	4:1:	C-4:C-4:C-3:C-2:	C-4:N-3:O-1:	C-4:N-1:	C(CH3)2(CNO)(CN)	C(CC3)(NHH)(O)	C(CC3)(N)	C(CH3)2(CNO)(CN)	C(CC3)(NHH)(O)	C(CC3)(N)	111.3830	0.000	1	111.3830	0.000	1	111.3830	0.000	1	112.1967	5.770	3	110.3195	9.488	186	110.3195	9.488	186
490	930	983	0:SP3_SP1_SP2	C	C	C	4:4:3:2:	4:3:1:	4:2:	C[5]-4:C-4:C-3:C-2:	C-4:N-3:O-1:	C-4:C-2:	C(C[5]C[5]2H)(CH3)(CNO)(CC)	C(CC[5]CC)(NCC)(O)	C(CC[5]CC)(CH)	C(C[5]C[5]2H)(CH3)(CNO)(CC)	C(CC[5]CC)(NCC)(O)	C(CC[5]CC)(CH)	116.1090	0.000	1	116.1090	0.000	1	116.1090	0.000	1	116.1090	0.000	1	110.3195	9.488	186	110.3195	9.488	186
490	930	984	0:SP3_SP-NON_SP2	C	C	Ga	4:4:3:3:	4:3:2:	4:2:1:1:	Ga-4:Si-4:Ga-3:C-3:	C-4:C-3:C-2:	C-4:O-2:I-1:I-1:	C(GaIIO)(SiC3)(GaII)(CCC)	C(CGa2Si)(CCC)(CC)	Ga(CGaSiC)(OC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	C(CGa2Si)(CCC)(CC)	Ga(CGaSiC)(OC)(I)2	112.9010	0.000	2	112.9010	0.000	2	112.9010	0.000	2	112.9010	0.000	2	112.9010	0.000	2	112.9010	0.000	2
490	930	992	0:SP3_SP2_SP3	C	C	P	3:3:4:1:	4:4:1:	4:2:2:1:	C[6a]-3:C-3:P-4:H-1:	C[3]-4:C-4:O-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CC[3]O)(PO3)(H)	C(C[3]C[3]2H)(CC[6a]HP)(O)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6a]2)(CC[3]O)(PO3)(H)	C(C[3]C[3]2H)(CC[6a]HP)(O)	P(CC[6a]CH)(OC)2(O)	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:1:1:	3:3:4:	3:4:4:4:	C-3:P-4:H-1:H-1:	C[6a]-3:N-3:C-4:	N-3:C-4:C-4:C-4:	C(CC[6a]N)(PCCN)(H)2	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)	P(NC[6a]Ni)(CCCH)2(CCHH)	C(CC[6a]N)(PCCN)(H)2	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)	P(NC[6a]Ni)(CCCH)2(CCHH)	118.2350	0.000	2	118.2350	0.000	2	118.2350	0.000	2	118.2350	0.000	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:1:1:	3:4:1:	4:2:2:1:	C-3:P-4:H-1:H-1:	N[5]-3:C-4:O-1:	C-4:O-2:O-2:O-1:	C(CN[5]O)(PO3)(H)2	C(N[5]C[5,5]C[5])(CHHP)(O)	P(CCHH)(OC)2(O)	C(CN[5]O)(PO3)(H)2	C(N[5]C[5,5]C[5])(CHHP)(O)	P(CCHH)(OC)2(O)	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	3:4:1:	3:3:4:1:	C[6a]-3:P-4:C-3:F-1:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC[6a]O)(F)	C(C[6a]C[6a]2)(CC[6a]FP)(O)	P(C[6a]C[6a]2)2(CC[6a]CF)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC[6a]O)(F)	C(C[6a]C[6a]2)(CC[6a]FP)(O)	P(C[6a]C[6a]2)2(CC[6a]CF)(O)	111.0323	0.444	7	111.0323	0.197	7	111.0323	0.197	7	111.0323	0.197	7	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:2:1:	4:2:2:1:	C[6a]-3:P-4:C-3:H-1:	C-4:O-2:O-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(COO)(H)	C(CC[6a]HP)(OC)(O)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(COO)(H)	C(CC[6a]HP)(OC)(O)	P(CC[6a]CH)(OC)2(O)	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:3:1:	3:3:4:1:	C[6]-3:P-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C(CC[6]HP)(NCC)(O)	P(C[6a]C[6a]2)2(CC[6]CH)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C(CC[6]HP)(NCC)(O)	P(C[6a]C[6a]2)2(CC[6]CH)(O)	109.7990	0.141	2	109.7990	0.020	2	109.7990	0.020	2	110.7610	2.786	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:3:1:	3:3:4:1:	C[6a]-3:P-4:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)(H)	C(CC[6a]HP)(CCH)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)(H)	C(CC[6a]HP)(CCH)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	112.6850	0.000	1	112.6850	0.000	1	112.6850	0.000	1	110.7610	2.786	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:3:2:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:C-3:C-2:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)(CN)	P(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)(CN)	P(CC[6a]CH)(CCHH)3	111.9820	2.703	2	111.9820	7.304	2	111.9820	7.304	2	111.9820	7.304	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:3:3:	3:3:4:1:	C[6a]-3:P-4:C-3:H-1:	C-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCC)(H)	C(CC[6a]HP)(CHH)(COO)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCC)(H)	C(CC[6a]HP)(CHH)(COO)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:3:3:	3:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:C-3:C-3:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]CC)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)(COO)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(PC[6a]CC)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)(COO)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	113.5530	0.870	2	113.5530	0.756	2	113.5530	0.756	2	113.5530	0.756	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:3:3:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:C-3:C-3:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)(COO)	P(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)(COO)	P(CC[6a]CH)(CCHH)3	118.1980	0.000	1	118.1980	0.000	1	116.8060	1.751	3	117.0095	1.333	4	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:3:3:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:C-3:C-3:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)(COO)	P(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)(COO)	P(CC[6a]CH)(CH3)3	115.5640	0.000	1	115.5640	0.000	1	116.8060	1.751	3	117.0095	1.333	4	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:3:3:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:C-3:C-3:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)2	P(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C(CC[6a]HP)(CC[6a]O)2	P(CC[6a]CH)(CCHH)3	116.6560	0.000	1	116.6560	0.000	1	116.8060	1.751	3	117.0095	1.333	4	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:3:3:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:C-3:N-3:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCN)(H)	C(CC[6a]HP)(CC[6a]O)(NOO)	P(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(CCN)(H)	C(CC[6a]HP)(CC[6a]O)(NOO)	P(CC[6a]CH)(CCHH)3	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	117.0095	1.333	4	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:4:1:	4:2:2:1:	C[6a]-3:P-4:C-3:H-1:	C-4:C-4:O-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6,6a]C[6a])(PO3)(CCO)(H)	C(CC[6a]HP)(CH3)(O)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6,6a]C[6a])(PO3)(CCO)(H)	C(CC[6a]HP)(CH3)(O)	P(CC[6a]CH)(OC)2(O)	117.4550	0.000	1	117.4550	0.000	1	117.4550	0.000	1	117.4550	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:3:1:	4:4:3:	3:3:4:1:	C[6a]-3:P-4:C-3:H-1:	C-4:P-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCP)(H)	C(CC[6a]HP)(PC[6a]2O)(CHH)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCP)(H)	C(CC[6a]HP)(PC[6a]2O)(CHH)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	3:4:4:4:	3:4:4:	4:4:4:4:	C-3:C-4:C-4:P-4:	C[5]-3:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC[5]C)(CH3)2(PC3)	C(C[5]B[5]S[5])(CCCP)(CH3)	P(CC3)(CH3)3	C(CC[5]C)(CH3)2(PC3)	C(C[5]B[5]S[5])(CCCP)(CH3)	P(CC3)(CH3)3	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	2:3:4:	3:3:4:1:	P-4:C-3:H-1:H-1:	Se-2:C-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CSeC)(H)2	C(SeC[6a])(CC[6]H)(CHHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CSeC)(H)2	C(SeC[6a])(CC[6]H)(CHHP)	P(C[6a]C[6a]2)2(CCHH)(O)	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	3:3:4:	3:3:4:1:	P-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CCHH)(S)	C(PC[6a]2S)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CCHH)(S)	113.0310	0.000	1	113.0310	0.000	1	113.0310	0.000	1	113.0310	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	3:4:1:	3:3:3:4:	P-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCH)(H)2	C(CC[5]H)(CHHP)(H)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCH)(H)2	C(CC[5]H)(CHHP)(H)	P(C[6a]C[6a]2)3(CCHH)	113.9400	0.000	1	113.9400	0.000	1	113.9400	0.000	1	112.6634	3.737	10	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	3:4:1:	3:3:3:4:	P-4:C-3:H-1:H-1:	C[5]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CC[5]O)(H)2	C(C[5]C[5]2)(CHHP)(O)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CC[5]O)(H)2	C(C[5]C[5]2)(CHHP)(O)	P(C[6a]C[6a]2)3(CCHH)	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	112.6634	3.737	10	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	3:4:1:	3:3:3:4:	P-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHHP)(O)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHHP)(O)	P(C[6a]C[6a]2)3(CCHH)	112.1930	1.853	8	112.1930	3.435	8	112.1930	3.435	8	112.6634	3.737	10	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	3:4:1:	3:3:4:1:	P-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHHP)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHHP)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	114.1373	0.626	3	114.1373	0.392	3	114.1373	0.392	3	114.1373	0.392	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	3:4:1:	4:2:1:1:	P-4:C-3:H-1:H-1:	N-3:C-4:O-1:	C-4:O-2:O-1:O-1:	C(PO3)(CNO)(H)2	C(NC[6a]H)(CHHP)(O)	P(CCHH)(OH)(O)2	C(PO3)(CNO)(H)2	C(NC[6a]H)(CHHP)(O)	P(CCHH)(OH)(O)2	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	3:4:1:	4:2:2:1:	P-4:C-3:H-1:H-1:	N-3:C-4:O-1:	C-4:O-2:O-2:O-1:	C(PO3)(CNO)(H)2	C(NC[6a]H)(CHHP)(O)	P(CCHH)(OC)2(O)	C(PO3)(CNO)(H)2	C(NC[6a]H)(CHHP)(O)	P(CCHH)(OC)2(O)	113.9165	0.340	2	113.9165	0.116	2	113.9165	0.116	2	113.9165	0.116	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	3:4:3:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCC)(H)2	C(CC[6a]H)(CHHP)(COO)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCC)(H)2	C(CC[6a]H)(CHHP)(COO)	P(C[6a]C[6a]2)2(CCHH)(O)	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	3:4:3:	4:2:2:1:	P-4:C-3:H-1:H-1:	C-3:C-4:C-3:	C-4:O-2:O-2:O-1:	C(PO3)(CCC)(H)2	C(CC[6a]H)(CHHP)(COO)	P(CCHH)(OH)2(O)	C(PO3)(CCC)(H)2	C(CC[6a]H)(CHHP)(COO)	P(CCHH)(OH)2(O)	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:1:1:	3:3:3:4:	P-4:C-3:F-1:F-1:	C-4:O-1:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(COO)(F)2	C(CFFP)(O)2	P(C[6a]C[6a]2)3(CCFF)	C(PC[6a]3)(COO)(F)2	C(CFFP)(O)2	P(C[6a]C[6a]2)3(CCFF)	116.8730	0.000	1	116.8730	0.000	1	116.8730	0.000	1	116.8730	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:1:1:	4:1:1:1:	P-4:C-3:H-1:H-1:	C-4:O-1:O-1:	C-4:O-1:O-1:O-1:	C(PO3)(COO)(H)2	C(CHHP)(O)2	P(CCHH)(O)3	C(PO3)(COO)(H)2	C(CHHP)(O)2	P(CCHH)(O)3	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:1:1:	4:2:1:1:	P-4:C-3:H-1:H-1:	C-4:O-1:O-1:	C-4:O-2:O-1:O-1:	C(PO3)(COO)(H)2	C(CHHP)(O)2	P(CCHH)(OH)(O)2	C(PO3)(COO)(H)2	C(CHHP)(O)2	P(CCHH)(OH)(O)2	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:2:1:	3:3:3:4:	P-4:C-3:H-1:H-1:	C-4:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(COO)(H)2	C(CHHP)(OC)(O)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(COO)(H)2	C(CHHP)(OC)(O)	P(C[6a]C[6a]2)3(CCHH)	113.6705	0.176	2	113.6705	0.031	2	113.6705	0.031	2	113.6705	0.031	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:2:1:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:N-2:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CNO)(H)2	C(CHHP)(NC)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CNO)(H)2	C(CHHP)(NC)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:2:1:	4:2:1:1:	P-4:C-3:H-1:H-1:	C-4:O-2:O-1:	C-4:O-2:O-1:O-1:	C(PO3)(COO)(H)2	C(CHHP)(OH)(O)	P(CCHH)(OH)(O)2	C(PO3)(COO)(H)2	C(CHHP)(OH)(O)	P(CCHH)(OH)(O)2	113.7990	1.009	8	113.7990	1.017	8	113.7990	1.017	8	113.7990	1.017	8	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:2:1:	4:2:2:1:	P-4:C-3:H-1:H-1:	C-4:O-2:O-1:	C-4:O-2:O-2:O-1:	C(PO3)(COO)(H)2	C(CHHP)(OC)(O)	P(CCHH)(OC)2(O)	C(PO3)(COO)(H)2	C(CHHP)(OC)(O)	P(CCHH)(OC)2(O)	112.8190	0.000	1	112.8190	0.000	1	114.2027	1.896	3	114.2027	1.896	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:2:1:	4:2:2:1:	P-4:C-3:H-1:H-1:	C-4:O-2:O-1:	C-4:O-2:O-2:O-1:	C(PO3)(COO)(H)2	C(CHHP)(OH)(O)	P(CCHH)(OH)2(O)	C(PO3)(COO)(H)2	C(CHHP)(OH)(O)	P(CCHH)(OH)2(O)	114.8945	0.960	2	114.8945	0.921	2	114.2027	1.896	3	114.2027	1.896	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:2:1:	4:2:2:2:	P-4:C-3:H-1:H-1:	C-4:O-2:O-1:	C-4:O-2:O-2:O-2:	C(PO3)(COO)(H)2	C(CHHP)(OCu)(O)	P(CCHH)(OCu)2(OH)	C(PO3)(COO)(H)2	C(CHHP)(OCu)(O)	P(CCHH)(OCu)2(OH)	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:3:1:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CNO)(H)2	C(CHHP)(NCH)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CNO)(H)2	C(CHHP)(NCH)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	113.0367	3.351	6	113.0367	11.230	6	113.0367	11.230	6	113.0367	11.230	6	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:3:1:	4:4:4:4:	P-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C(PC3)(CCH)(H)2	C(CHHP)(CHH)(H)	P(CCCH)3(CCHH)	C(PC3)(CCH)(H)2	C(CHHP)(CHH)(H)	P(CCCH)3(CCHH)	114.8720	0.000	1	114.8720	0.000	1	113.3803	2.800	3	113.3803	2.800	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:3:1:	4:4:4:4:	P-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C(PC3)(CCH)(H)2	C(CHHP)(CHH)(H)	P(CCHH)(CH3)3	C(PC3)(CCH)(H)2	C(CHHP)(CHH)(H)	P(CCHH)(CH3)3	111.5710	0.000	1	111.5710	0.000	1	113.3803	2.800	3	113.3803	2.800	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:3:1:	4:4:4:4:	P-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C(PC3)(CCH)(H)2	C(CHHP)(CHH)(H)	P(CCHH)4	C(PC3)(CCH)(H)2	C(CHHP)(CHH)(H)	P(CCHH)4	113.6980	0.000	1	113.6980	0.000	1	113.3803	2.800	3	113.3803	2.800	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:3:2:	3:3:3:4:	P-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCO)(H)2	C(CHHP)(CHH)(OC)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCO)(H)2	C(CHHP)(CHH)(OC)	P(C[6a]C[6a]2)3(CCHH)	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:3:3:	4:2:1:1:	P-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C-4:O-2:O-1:O-1:	C(PO3)(CCC)(H)2	C(CHHP)(CHH)(COO)	P(CCHH)(OH)(O)2	C(PO3)(CCC)(H)2	C(CHHP)(CHH)(COO)	P(CCHH)(OH)(O)2	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:3:3:	4:2:2:1:	P-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C-4:O-2:O-2:O-1:	C(PO3)(CCC)(H)2	C(CHHP)(CHH)(COO)	P(CCHH)(OH)2(O)	C(PO3)(CCC)(H)2	C(CHHP)(CHH)(COO)	P(CCHH)(OH)2(O)	112.9190	1.416	2	112.9190	2.004	2	112.9190	2.004	2	112.9190	2.004	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:4:1:	3:3:3:4:	P-4:C-3:H-1:H-1:	C-4:C-4:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCO)(H)2	C(CHHP)(CH3)(O)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCO)(H)2	C(CHHP)(CH3)(O)	P(C[6a]C[6a]2)3(CCHH)	113.6726	1.633	5	113.6726	2.668	5	113.6726	2.668	5	113.6726	2.668	5	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:4:1:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCO)(H)2	C(CCHO)(CHHP)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCO)(H)2	C(CCHO)(CHHP)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	115.5558	0.748	4	115.5558	0.559	4	115.6712	0.486	5	115.6712	0.486	5	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:4:1:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCO)(H)2	C(CHHP)(CC3)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCO)(H)2	C(CHHP)(CC3)(O)	P(C[6a]C[6a]2)2(CCHH)(O)	116.1330	0.000	1	116.1330	0.000	1	115.6712	0.486	5	115.6712	0.486	5	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:4:1:	4:3:3:4:	P-4:C-3:H-1:H-1:	C[5]-4:C-4:O-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(CC[5]O)(H)2	C(C[5]C[5]2Fe)(CHHP)(O)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2C[5])(CC[5]O)(H)2	C(C[5]C[5]2Fe)(CHHP)(O)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CCHH)	112.2580	0.000	1	112.2580	0.000	1	112.2580	0.000	1	112.2580	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:4:3:	4:4:4:3:	P-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C-4:C-4:C-4:C-3:	C(PC3)(CCC)(H)2	C(CHHP)(CH3)(CCH)	P(CCHH)(CC3)2(CCC)	C(PC3)(CCC)(H)2	C(CHHP)(CH3)(CCH)	P(CCHH)(CC3)2(CCC)	127.3870	0.000	1	127.3870	0.000	1	127.3870	0.000	1	127.3870	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:1:1:	4:4:3:	4:4:4:4:	P-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C-4:C-4:C-4:C-4:	C(PC3)(CCC)(H)2	C(CHHP)(CH3)(CCC)	P(CCHH)(CC3)3	C(PC3)(CCC)(H)2	C(CHHP)(CH3)(CCC)	P(CCHH)(CC3)3	124.4170	0.437	2	124.4170	0.191	2	124.4170	0.191	2	124.4170	0.191	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:2:1:	3:4:1:	4:2:2:1:	P-4:C-3:O-2:H-1:	C-3:C-4:H-1:	C-4:O-2:O-2:O-1:	C(PO3)(CCH)(OH)(H)	C(CC[6]H)(CHOP)(H)	P(CCHO)(OC)2(O)	C(PO3)(CCH)(OH)(H)	C(CC[6]H)(CHOP)(H)	P(CCHO)(OC)2(O)	111.0760	0.000	1	111.0760	0.000	1	111.2590	0.067	2	111.2590	0.067	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:2:1:	3:4:1:	4:2:2:1:	P-4:C-3:O-2:H-1:	C-3:C-4:H-1:	C-4:O-2:O-2:O-1:	C(PO3)(CCH)(OH)(H)	C(CC[6a]H)(CHOP)(H)	P(CCHO)(OC)2(O)	C(PO3)(CCH)(OH)(H)	C(CC[6a]H)(CHOP)(H)	P(CCHO)(OC)2(O)	111.4420	0.000	1	111.4420	0.000	1	111.2590	0.067	2	111.2590	0.067	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:2:1:	3:4:4:	3:3:4:1:	P-4:C-3:N-2:H-1:	C-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCC)(NC)(H)	C(CC[6a]C)(CHNP)(CH3)	P(C[6a]C[6a]2)2(CCHN)(O)	C(PC[6a]2O)(CCC)(NC)(H)	C(CC[6a]C)(CHNP)(CH3)	P(C[6a]C[6a]2)2(CCHN)(O)	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:2:1:	4:3:1:	4:2:2:1:	P-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C-4:O-2:O-2:O-1:	C(PO3)(CCH)(OH)(H)	C(CHOP)(CCH)(H)	P(CCHO)(OC)2(O)	C(PO3)(CCH)(OH)(H)	C(CHOP)(CCH)(H)	P(CCHO)(OC)2(O)	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:3:1:	3:4:1:	4:2:2:1:	P-4:C-3:C-3:H-1:	N-3:C-4:O-1:	C-4:O-2:O-2:O-1:	C(PO3)(CNO)(COO)(H)	C(NC[6a]H)(CCHP)(O)	P(CCCH)(OC)2(O)	C(PO3)(CNO)(COO)(H)	C(NC[6a]H)(CCHP)(O)	P(CCCH)(OC)2(O)	109.6733	0.397	3	109.6733	0.158	3	109.6733	0.158	3	109.6733	0.158	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:3:1:	4:2:1:	4:2:2:1:	P-4:C-3:C-3:H-1:	C-4:O-2:O-1:	C-4:O-2:O-2:O-1:	C(PO3)(CNO)(COO)(H)	C(CCHP)(OC)(O)	P(CCCH)(OC)2(O)	C(PO3)(CNO)(COO)(H)	C(CCHP)(OC)(O)	P(CCCH)(OC)2(O)	110.9973	0.502	3	110.9973	0.252	3	110.9973	0.252	3	110.9973	0.252	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:3:1:	4:4:1:	4:2:2:1:	P-4:C-3:N-3:H-1:	C-4:C-4:O-1:	C-4:O-2:O-2:O-1:	C(PO3)(CCO)(NCH)(H)	C(CHNP)(CH3)(O)	P(CCHN)(OC)2(O)	C(PO3)(CCO)(NCH)(H)	C(CHNP)(CH3)(O)	P(CCHN)(OC)2(O)	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:3:4:1:	3:4:1:	3:3:4:1:	P-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCHP)(O)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCHP)(O)	P(C[6a]C[6a]2)2(CCCH)(O)	108.0790	0.000	1	108.0790	0.000	1	108.0790	0.000	1	108.0790	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	2:4:3:	3:3:4:1:	P-4:C-4:C-3:H-1:	O-2:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CH3)(CCO)(H)	C(OC[6a])(CCHP)(CHH)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CH3)(CCO)(H)	C(OC[6a])(CCHP)(CHH)	P(C[6a]C[6a]2)2(CCCH)(O)	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	3:2:4:	3:3:3:4:	P-4:P-4:C-3:H-1:	N-3:N-2:C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)2(CNN)(H)	C(NC[6a]Zn)(NC[6a])(CHPP)	P(C[6a]C[6a]2)2(NSiZn)(CCHP)	C(PC[6a]2N)2(CNN)(H)	C(NC[6a]Zn)(NC[6a])(CHPP)	P(C[6a]C[6a]2)2(NSiZn)(CCHP)	111.5605	1.773	2	111.5605	3.143	2	111.5605	3.143	2	111.5605	3.143	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	3:4:1:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCCH)(CCH)(H)	C(CC[6a]H)(CCHP)(H)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCCH)(CCH)(H)	C(CC[6a]H)(CCHP)(H)	P(C[6a]C[6a]2)2(CCCH)(O)	108.2640	0.000	1	108.2640	0.000	1	107.7460	0.537	2	107.7460	0.537	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	3:4:1:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(CCH)(H)	C(CC[6a]H)(CCHP)(H)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCHH)(CCH)(H)	C(CC[6a]H)(CCHP)(H)	P(C[6a]C[6a]2)2(CCCH)(O)	107.2280	0.000	1	107.2280	0.000	1	107.7460	0.537	2	107.7460	0.537	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	3:4:1:	3:4:4:1:	P-4:C-4:C-3:H-1:	C-3:C-4:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)(CCH)(H)	C(CC[6a]H)(CCHP)(H)	P(C[6a]C[6a]2)(CCCH)(CC3)(O)	C(PC[6a]CO)(CH3)(CCH)(H)	C(CC[6a]H)(CCHP)(H)	P(C[6a]C[6a]2)(CCCH)(CC3)(O)	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	3:4:2:	3:3:3:4:	P-4:P-4:C-3:H-1:	C-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)2(CCO)(H)	C(CC[6a]2)(CHPP)(OZn)	P(C[6a]C[6a]2)2(NSiZn)(CCHP)	C(PC[6a]2N)2(CCO)(H)	C(CC[6a]2)(CHPP)(OZn)	P(C[6a]C[6a]2)2(NSiZn)(CCHP)	109.8715	1.408	2	109.8715	1.982	2	109.8715	1.982	2	109.8715	1.982	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	4:2:1:	3:3:3:4:	P-4:C-4:C-3:H-1:	C-4:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCCH)(COO)(H)	C(CCHP)(OC)(O)	P(C[6a]C[6a]2)3(CCCH)	C(PC[6a]3)(CCCH)(COO)(H)	C(CCHP)(OC)(O)	P(C[6a]C[6a]2)3(CCCH)	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	4:2:1:	4:2:2:1:	P-4:P-4:C-3:H-1:	C-4:N-2:O-1:	C-4:O-2:O-2:O-1:	C(PO3)2(CNO)(H)	C(CHPP)(NC)(O)	P(CCHP)(OC)2(O)	C(PO3)2(CNO)(H)	C(CHPP)(NC)(O)	P(CCHP)(OC)2(O)	110.0725	0.682	2	110.0725	0.466	2	110.0725	0.466	2	110.0725	0.466	2	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	4:3:1:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(CNO)(H)	C(CCHP)(NCC)(O)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCHH)(CNO)(H)	C(CCHP)(NCC)(O)	P(C[6a]C[6a]2)2(CCCH)(O)	111.7650	0.000	1	111.7650	0.000	1	110.1673	4.466	3	110.1673	4.466	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:1:	4:3:1:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	C(CCHP)(NCC)(O)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	C(CCHP)(NCC)(O)	P(C[6a]C[6a]2)2(CCCH)(O)	109.3685	2.259	2	109.3685	5.104	2	110.1673	4.466	3	110.1673	4.466	3	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:2:	4:1:1:	4:4:1:1:	P-4:C-4:C-3:O-2:	C-4:O-1:O-1:	C-4:C-4:O-1:O-1:	C(PCOO)(CH3)(COO)(OH)	C(CCOP)(O)2	P(CCCO)2(O)2	C(PCOO)(CH3)(COO)(OH)	C(CCOP)(O)2	P(CCCO)2(O)2	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:2:	4:3:1:	4:4:1:1:	P-4:C-4:C-3:O-2:	C-4:N-3:O-1:	C-4:C-4:O-1:O-1:	C(PCOO)(CH3)(CNO)(OH)	C(CCOP)(NCH)(O)	P(CCCO)2(O)2	C(PCOO)(CH3)(CNO)(OH)	C(CCOP)(NCH)(O)	P(CCCO)2(O)2	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	112.8755	10.418	122	112.8755	10.418	122
490	930	992	0:SP3_SP2_SP3	C	C	P	4:4:3:3:	4:1:1:	4:4:4:1:	P-4:C-4:C-3:C-3:	C-4:H-1:H-1:	C-4:B-4:C-4:Cl-1:	C(PClBC)(CH3)(CHH)2	C(CCCP)(H)2	P(CC[6a]HH)(BH3)(CC3)(Cl)	C(PClBC)(CH3)(CHH)2	C(CCCP)(H)2	P(CC[6a]HH)(BH3)(CC3)(Cl)	110.0755	3.037	2	110.0755	9.224	2	110.0755	9.224	2	110.0755	9.224	2	112.8755	10.418	122	112.8755	10.418	122
490	930	996	0:SP3_SP2_SP3	C	C	Si[4]	4:3:1:1:	4:3:1:	3:3:4:3:	Si[4]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	N[4]-3:N[4]-3:C-4:N-3:	C(Si[4]N[4]2N)(CCH)(H)2	C(CSi[4]HH)(CCH)(H)	Si[4](N[4]C[4]C)2(CCHH)(NCC)	C(Si[4]N[4]2N)(CCH)(H)2	C(CSi[4]HH)(CCH)(H)	Si[4](N[4]C[4]C)2(CCHH)(NCC){1|C<3>,1|C<4>}	112.9820	0.000	1	112.9820	0.000	1	112.9820	0.000	1	112.9820	0.000	1	112.9820	0.000	1	112.9820	0.000	1
490	930	999	0:SP3_SP2_SP3	C	C	N[5,5]	4:3:1:1:	4:1:1:	5:4:4:4:	N[5,5]-4:C-3:H-1:H-1:	C-4:O-1:O-1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	C(N[5,5]Ga[4x5]C[5]2)(COO)(H)2	C(CN[5,5]HH)(O)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	C(N[5,5]Ga[4x5]C[5]2)(COO)(H)2	C(CN[5,5]HH)(O)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|C<4>,4|H<1>}	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	113.7360	9.224	10
490	930	999	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	4:1:1:	4:4:4:1:	N[5]-4:C-3:H-1:H-1:	C-4:O-1:O-1:	C[5]-4:C[5]-4:C-4:H-1:	C(N[5]C[5]2H)(COO)(H)2	C(CN[5]HH)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C(N[5]C[5]2H)(COO)(H)2	C(CN[5]HH)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	112.0730	0.000	1	112.0730	0.000	1	112.0730	0.000	1	112.0730	0.000	1	113.1957	7.092	9	113.7360	9.224	10
490	930	999	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5]-4:C-3:H-1:H-1:	C-4:O-2:O-1:	C[5]-4:C[5]-4:C-4:C-4:	C(N[5]C[5]2C)(COO)(H)2	C(CN[5]HH)(OH)(O)	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(COO)(H)2	C(CN[5]HH)(OH)(O)	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	113.1957	7.092	9	113.7360	9.224	10
490	930	999	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	4:2:2:	4:4:4:4:	N[5]-4:C-3:H-1:H-1:	C-4:O-2:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C(N[5]C[5]2C)(COO)(H)2	C(CN[5]HH)(OCu)2	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(COO)(H)2	C(CN[5]HH)(OCu)2	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	115.9795	0.235	2	115.9795	0.055	2	115.9795	0.055	2	115.9795	0.055	2	113.1957	7.092	9	113.7360	9.224	10
490	930	999	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	4:3:1:	4:4:4:4:	N[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C(N[5]C[5]2C)(CCH)(H)2	C(CN[5]HH)(CHH)(H)	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCH)(H)2	C(CN[5]HH)(CHH)(H)	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	113.8287	0.874	3	113.1957	7.092	9	113.7360	9.224	10
490	930	999	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	4:3:1:	4:4:4:4:	N[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C-4:	C(N[5]C[5]2C[6])(CCH)(H)2	C(CN[5]HH)(CHH)(H)	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH)	C(N[5]C[5]2C[6])(CCH)(H)2	C(CN[5]HH)(CHH)(H)	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH){1|C<3>,1|C<4>,8|H<1>}	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	113.8287	0.874	3	113.1957	7.092	9	113.7360	9.224	10
490	930	999	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	4:3:1:	4:4:4:4:	N[5]-4:C-3:H-1:H-1:	C-4:C-3:O-1:	C[5]-4:C[5]-4:C-4:C-4:	C(N[5]C[5]2C)(CCO)(H)2	C(CN[5]HH)(CCH)(O)	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCO)(H)2	C(CN[5]HH)(CCH)(O)	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	113.8287	0.874	3	113.1957	7.092	9	113.7360	9.224	10
490	930	999	0:SP3_SP2_SP3	C	C	N[5]	4:3:4:1:	3:4:1:	4:4:4:1:	N[5]-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-1:	C[5]-4:C[5]-4:C-4:H-1:	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(CN[5]CH)(O)	N[5](C[5]C[5]HH)2(CCCH)(H)	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(CN[5]CH)(O)	N[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	109.1025	0.261	2	109.1025	0.068	2	109.1025	0.068	2	109.1025	0.068	2	113.1957	7.092	9	113.7360	9.224	10
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5,6]	H	5:1:1:1:	3:3:2:2:4:	4:	Si[5,5,6]-5:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3)	H(CSi[5,5,6]HH)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3){2|C<3>,4|C<4>}	H(CSi[5,5,6]HH)	115.4513	3.021	3	115.4513	9.125	3	112.8429	12.470	9	112.8429	12.470	9	111.3622	13.674	13	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5,6]	H	5:1:1:1:	3:3:2:2:4:	4:	Si[5,5,6]-5:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	H(CSi[5,5,6]HH)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	H(CSi[5,5,6]HH)	111.5387	3.190	6	111.5387	10.178	6	112.8429	12.470	9	112.8429	12.470	9	111.3622	13.674	13	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5,6]	H	5:4:1:1:	3:3:2:2:4:	4:	Si[5,5,6]-5:C-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH)	H(CSi[5,5,6]CH)	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH){2|C<3>,4|C<4>}	H(CSi[5,5,6]CH)	108.0307	0.259	4	108.0307	0.067	4	108.0307	0.067	4	108.0307	0.067	4	111.3622	13.674	13	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5]	H	5:1:1:1:	2:2:2:2:4:	4:	Si[5,5]-5:H-1:H-1:H-1:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	C-4:	C(Si[5,5]O[5]2S[5]2)(H)3	Si[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	H(CSi[5,5]HH)	C(Si[5,5]O[5]2S[5]2)(H)3	Si[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	H(CSi[5,5]HH)	109.4690	0.017	2	109.4690	0.000	2	109.4690	0.000	2	109.4690	0.000	2	109.7438	0.882	35	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5]	H	5:1:1:1:	3:2:2:4:4:	4:	Si[5,5]-5:H-1:H-1:H-1:	N[5,5]-3:O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(Si[5,5]N[5,5]O[5]2C)(H)3	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2	H(CSi[5,5]HH)	C(Si[5,5]N[5,5]O[5]2C)(H)3	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2{4|C<3>}	H(CSi[5,5]HH)	111.0915	1.834	6	111.0915	3.362	6	111.0915	3.362	6	111.0915	3.362	6	109.7438	0.882	35	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5]	H	5:1:1:1:	3:3:2:2:4:	4:	Si[5,5]-5:H-1:H-1:H-1:	N[5,5]-3:N[5,6]-3:S[5]-2:O-2:C-4:	C-4:	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3)	H(CSi[5,5]HH)	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3){3|H<1>,4|C<3>}	H(CSi[5,5]HH)	109.4735	0.011	2	109.4735	0.000	2	109.4735	0.000	2	109.4554	0.002	8	109.7438	0.882	35	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5]	H	5:1:1:1:	3:3:2:2:4:	4:	Si[5,5]-5:H-1:H-1:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(Si[5,5]N[5]2O[5]2)(H)3	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	H(CSi[5,5]HH)	C(Si[5,5]N[5]2O[5]2)(H)3	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	H(CSi[5,5]HH)	109.4493	0.044	6	109.4493	0.002	6	109.4493	0.002	6	109.4554	0.002	8	109.7438	0.882	35	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5]	H	5:1:1:1:	3:3:3:2:4:	4:	Si[5,5]-5:H-1:H-1:H-1:	N[5,5a]-3:N[5,5]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	H(CSi[5,5]HH)	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){4|H<1>,6|C<3>}	H(CSi[5,5]HH)	109.4603	0.026	4	109.4603	0.001	4	109.4603	0.001	4	109.4603	0.001	4	109.7438	0.882	35	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5]	H	5:1:1:1:	4:4:2:2:4:	4:	Si[5,5]-5:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(Si[5,5]C[5]2O[5]2)(H)3	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	H(CSi[5,5]HH)	C(Si[5,5]C[5]2O[5]2)(H)3	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	H(CSi[5,5]HH)	109.4765	0.027	13	109.4765	0.001	13	109.4765	0.001	13	109.4765	0.001	13	109.7438	0.882	35	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,5]	H	5:1:1:1:	5:2:2:4:2:	4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:O[5]-2:O[5]-2:C-4:O-2:	C-4:	C(Si[5,5]Si[5,5]O[5]2O)(H)3	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC)	H(CSi[5,5]HH)	C(Si[5,5]Si[5,5]O[5]2O)(H)3	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC){2|C<3>}	H(CSi[5,5]HH)	109.4335	0.029	2	109.4335	0.001	2	109.4335	0.001	2	109.4335	0.001	2	109.7438	0.882	35	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,6]	H	5:1:1:1:	3:2:2:4:4:	4:	Si[5,6]-5:H-1:H-1:H-1:	N[5,6]-3:O[5]-2:O[6]-2:C-4:C-4:	C-4:	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2	H(CSi[5,6]HH)	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CSi[5,6]HH)	109.4636	0.031	8	109.4636	0.001	8	109.4636	0.001	8	109.4636	0.001	8	109.4616	0.001	9	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5,6]	H	5:1:1:1:	3:4:2:2:4:	4:	Si[5,6]-5:H-1:H-1:H-1:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	C-4:	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	H(CSi[5,6]HH)	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	H(CSi[5,6]HH)	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	109.4616	0.001	9	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	2:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:Cl-1:	C-4:	C(Si[5]O[5]2ClC)(H)3	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl)	H(CSi[5]HH)	C(Si[5]O[5]2ClC)(H)3	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl){2|C<3>}	H(CSi[5]HH)	110.2925	1.579	6	110.2925	2.493	6	110.2925	2.493	6	110.6991	7.189	20	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	2:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F)	H(CSi[5]HH)	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F){1|C<3>}	H(CSi[5]HH)	109.4980	0.025	2	109.4980	0.001	2	110.8734	9.439	14	110.6991	7.189	20	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	2:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	H(CSi[5]HH)	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	H(CSi[5]HH)	110.6517	3.794	3	110.2828	15.716	6	110.8734	9.439	14	110.6991	7.189	20	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	2:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	H(CSi[5]HH)	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CHHN)(CH3)(F){2|O<1>}	H(CSi[5]HH)	109.9140	4.948	3	110.2828	15.716	6	110.8734	9.439	14	110.6991	7.189	20	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	2:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	H(CSi[5]HH)	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	H(CSi[5]HH)	112.4820	3.067	3	111.9223	6.329	6	110.8734	9.439	14	110.6991	7.189	20	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	2:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	H(CSi[5]HH)	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){2|O<1>}	H(CSi[5]HH)	111.3627	2.340	3	111.9223	6.329	6	110.8734	9.439	14	110.6991	7.189	20	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	3:3:4:1:1:	4:	Si[5]-5:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:Cl-1:Cl-1:	C-4:	C(Si[5]C[5]N[5]Cl2)(H)3	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2	H(CSi[5]HH)	C(Si[5]C[5]N[5]Cl2)(H)3	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2{5|C<3>}	H(CSi[5]HH)	109.4860	0.012	4	109.4860	0.000	4	109.4860	0.000	4	109.4860	0.000	4	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	3:3:4:4:2:	4:	Si[5]-5:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:C-4:C-4:O-2:	C-4:	C(Si[5]N[5,6]2CO)(H)3	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS)	H(CSi[5]HH)	C(Si[5]N[5,6]2CO)(H)3	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS){2|H<1>,4|C<3>}	H(CSi[5]HH)	109.4970	0.025	4	109.4970	0.001	4	109.4970	0.001	4	109.4970	0.001	4	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:1:	4:	Si[5]-5:Cl-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	C-4:	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	H(CSi[5]ClH)	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	H(CSi[5]ClH)	109.5480	0.039	4	109.5480	0.001	4	109.5480	0.001	4	109.5838	2.345	26	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:1:	4:	Si[5]-5:Cl-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]C[5]O[5]CF)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	H(CSi[5]ClH)	C(Si[5]C[5]O[5]CF)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	H(CSi[5]ClH)	109.3185	0.029	2	109.3185	0.001	2	109.3185	0.001	2	109.5838	2.345	26	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	C-4:	C(Si[5]C[5]O[5]ClC)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	H(CSi[5]HH)	C(Si[5]C[5]O[5]ClC)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	H(CSi[5]HH)	109.4778	0.035	5	109.4778	0.001	5	109.7321	5.813	11	109.5838	2.345	26	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	C-4:	C(Si[5]C[5]O[5]ClC)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl)	H(CSi[5]HH)	C(Si[5]C[5]O[5]ClC)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl){1|C<4>,1|N<2>}	H(CSi[5]HH)	109.9440	3.392	6	109.9440	11.507	6	109.7321	5.813	11	109.5838	2.345	26	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]C[5]O[5]CF)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	H(CSi[5]HH)	C(Si[5]C[5]O[5]CF)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	H(CSi[5]HH)	109.4603	0.016	3	109.4603	0.000	3	109.4773	0.001	9	109.5838	2.345	26	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:1:	4:	Si[5]-5:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]C[5]O[5]CF)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F)	H(CSi[5]HH)	C(Si[5]C[5]O[5]CF)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F){2|C<4>}	H(CSi[5]HH)	109.4858	0.036	6	109.4858	0.001	6	109.4773	0.001	9	109.5838	2.345	26	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:2:	4:	Si[5]-5:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-2:	C-4:	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS)	H(CSi[5]HH)	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS){1|C<3>,1|C<4>}	H(CSi[5]HH)	109.4709	0.042	9	109.4709	0.002	9	109.4709	0.002	9	109.4709	0.002	9	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:3:	4:	Si[5]-5:Cl-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C-4:	C(Si[5]C[5]O[5]CO)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	H(CSi[5]ClH)	C(Si[5]C[5]O[5]CO)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	H(CSi[5]ClH)	108.6757	0.473	4	108.6757	0.224	4	108.6757	0.224	4	109.2254	0.202	13	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:3:	4:	Si[5]-5:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C-4:	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	H(CSi[5]HH)	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	H(CSi[5]HH)	109.4812	0.024	5	109.4812	0.001	5	109.4697	0.001	9	109.2254	0.202	13	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:1:1:1:	4:2:4:4:3:	4:	Si[5]-5:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C-4:	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	H(CSi[5]HH)	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	H(CSi[5]HH)	109.4553	0.031	4	109.4553	0.001	4	109.4697	0.001	9	109.2254	0.202	13	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:4:1:1:	2:2:4:4:1:	4:	Si[5]-5:N-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(NCCH)(H)2	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	H(CSi[5]HN)	C(Si[5]O[5]2CF)(NCCH)(H)2	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	H(CSi[5]HN)	108.8315	1.941	2	108.9103	4.085	4	108.9103	4.085	4	108.3176	1.927	10	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:4:1:1:	2:2:4:4:1:	4:	Si[5]-5:N-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(NCCH)(H)2	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	H(CSi[5]HN)	C(Si[5]O[5]2CF)(NCCH)(H)2	Si[5](O[5]C[5])2(CHHN)(CH3)(F){2|O<1>}	H(CSi[5]HN)	108.9890	2.909	2	108.9103	4.085	4	108.9103	4.085	4	108.3176	1.927	10	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:4:1:1:	2:2:4:4:1:	4:	Si[5]-5:N[6]-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F)	H(CSi[5]N[6]H)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F){1|C<3>}	H(CSi[5]N[6]H)	107.9215	0.008	2	107.9215	0.000	2	107.9225	0.549	6	108.3176	1.927	10	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:4:1:1:	2:2:4:4:1:	4:	Si[5]-5:N[6]-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	H(CSi[5]N[6]H)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	H(CSi[5]N[6]H)	107.6275	1.435	2	107.9230	0.915	4	107.9225	0.549	6	108.3176	1.927	10	109.6213	3.031	86	109.7995	3.432	143
490	931	951	0:SP3_SP-NON_SPD5	C	Si[5]	H	5:4:1:1:	2:2:4:4:1:	4:	Si[5]-5:N[6]-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C-4:	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	H(CSi[5]N[6]H)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){2|O<1>}	H(CSi[5]N[6]H)	108.2185	0.581	2	107.9230	0.915	4	107.9225	0.549	6	108.3176	1.927	10	109.6213	3.031	86	109.7995	3.432	143
490	935	951	0:SP3_SP-NON_SPD6	C	P[4x6]	H	6:4:1:1:	3:3:3:3:4:2:	4:	P[4x6]-6:C-4:H-1:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:O-2:	C-4:	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH)	H(CP[4x6]CH)	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH){12|C<3>}	H(CP[4x6]CH)	108.8900	1.321	2	108.8900	1.745	2	108.8900	1.745	2	108.8900	1.745	2	108.8900	1.745	2	108.8900	1.745	2
490	940	951	0:SP3_SP-NON_SP-NON	C	P	H	2:1:1:1:	3:4:	4:	P-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(PC[5])(H)3	P(C[5]N[5]2)(CH3)	H(CHHP)	C(PC[5])(H)3	P(C[5]N[5]2)(CH3)	H(CHHP)	109.6430	3.415	6	109.6430	11.661	6	109.6430	11.661	6	109.6430	11.661	6	110.6994	35.251	14	110.6994	35.251	14
490	940	951	0:SP3_SP-NON_SP-NON	C	P	H	2:4:4:1:	3:4:	4:	P-2:Si-4:Si-4:H-1:	C[6a]-3:C-4:	C-4:	C(PC[6a])(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)	H(CSi2P)	C(PC[6a])(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)	H(CSi2P)	104.8010	0.226	2	104.8010	0.051	2	104.8010	0.051	2	104.8010	0.051	2	110.6994	35.251	14	110.6994	35.251	14
490	940	951	0:SP3_SP-NON_SP-NON	C	P	H	4:2:1:1:	4:1:	4:	C-4:P-2:H-1:H-1:	C-4:O-1:	C-4:	C(CH3)(PO)(H)2	P(CCHH)(O)	H(CCHP)	C(CH3)(PO)(H)2	P(CCHH)(O)	H(CCHP)	123.1830	0.305	2	123.1830	0.093	2	123.1830	0.093	2	123.1830	0.093	2	110.6994	35.251	14	110.6994	35.251	14
490	940	951	0:SP3_SP-NON_SP-NON	C	P	H	4:2:1:1:	4:4:	4:	C-4:P-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(PC)(H)2	P(CCHH)2	H(CCHP)	C(CC[5]HH)(PC)(H)2	P(CCHH)2	H(CCHP)	108.9915	0.252	4	108.9915	0.064	4	108.9915	0.064	4	108.9915	0.064	4	110.6994	35.251	14	110.6994	35.251	14
490	941	941	0:SP3_SP2_SP2	C	N	N	3:2:2:1:	4:2:	4:2:	C[6a]-3:N-2:N-2:H-1:	C-4:N-2:	C-4:N-2:	C(C[6a]C[6a]2)(NN)2(H)	N(CC[6a]HN)(NN)	N(CC[6a]HN)(NN)	C(C[6a]C[6a]2)(NN)2(H)	N(CC[6a]HN)(NN)	N(CC[6a]HN)(NN)	111.1670	0.646	2	111.1670	0.418	2	111.1670	0.418	2	111.1670	0.418	2	111.8078	4.995	6	111.8078	4.995	6
490	941	941	0:SP3_SP2_SP2	C	N	N	3:2:2:1:	4:3:	4:3:	C[6a]-3:N-2:N-2:H-1:	C-4:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)2(H)	N(CC[6a]HN)(CC[6a]H)	N(CC[6a]HN)(CC[6a]H)	C(C[6a]C[6a]2)(NC)2(H)	N(CC[6a]HN)(CC[6a]H)	N(CC[6a]HN)(CC[6a]H)	113.5940	1.253	2	113.5940	1.570	2	113.5940	1.570	2	113.5940	1.570	2	111.8078	4.995	6	111.8078	4.995	6
490	941	941	0:SP3_SP2_SP2	C	N	N	3:3:2:2:	4:2:	4:2:	C-3:C-3:N-2:N-2:	C-4:N-2:	C-4:N-2:	C(CC[6a]O)(COO)(NN)2	N(CCCN)(NN)	N(CCCN)(NN)	C(CC[6a]O)(COO)(NN)2	N(CCCN)(NN)	N(CCCN)(NN)	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	111.8078	4.995	6	111.8078	4.995	6
490	941	941	0:SP3_SP2_SP2	C	N	N	3:4:2:2:	4:2:	4:2:	C-3:C-4:N-2:N-2:	C-4:N-2:	C-4:N-2:	C(CC[6a]O)(CHHO)(NN)2	N(CCCN)(NN)	N(CCCN)(NN)	C(CC[6a]O)(CHHO)(NN)2	N(CCCN)(NN)	N(CCCN)(NN)	113.2280	0.000	1	113.2280	0.000	1	113.2280	0.000	1	113.2280	0.000	1	111.8078	4.995	6	111.8078	4.995	6
490	941	945	0:SP3_SP2_SP3	C	N	P	3:2:1:1:	3:4:	4:4:4:	P-3:N-2:H-1:H-1:	C-3:C-4:	C-4:C-4:C-4:	C(PCC)(NC)(H)2	N(CC[6a]H)(CHHP)	P(CHHN)3	C(PCC)(NC)(H)2	N(CC[6a]H)(CHHP)	P(CHHN)3	109.9503	2.477	3	109.9503	6.137	3	109.9503	6.137	3	109.9503	6.137	3	109.9503	6.137	3	109.9503	6.137	3
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CC[5]O)(CH3)	H(CHHN)	C(NC)(H)3	N(CC[5]O)(CH3)	H(CHHN)	109.4734	0.057	7	109.4734	0.003	7	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CC[6]O)(CH3)	H(CHHN)	C(NC)(H)3	N(CC[6]O)(CH3)	H(CHHN)	109.4255	0.037	2	109.4255	0.001	2	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CC[6a]C)(CH3)	H(CHHN)	C(NC)(H)3	N(CC[6a]C)(CH3)	H(CHHN)	109.4703	0.095	3	109.4703	0.009	3	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CC[6a]C[5])(CH3)	H(CHHN)	C(NC)(H)3	N(CC[6a]C[5])(CH3)	H(CHHN)	109.4720	0.015	3	109.4720	0.000	3	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CC[6a]H)(CH3)	H(CHHN)	C(NC)(H)3	N(CC[6a]H)(CH3)	H(CHHN)	109.4633	0.043	12	109.4633	0.002	12	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CC[6a]Ir)(CH3)	H(CHHN)	C(NC)(H)3	N(CC[6a]Ir)(CH3)	H(CHHN)	109.4557	0.034	3	109.4557	0.001	3	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CC[6a]N[6])(CH3)	H(CHHN)	C(NC)(H)3	N(CC[6a]N[6])(CH3)	H(CHHN)	109.4780	0.040	3	109.4780	0.002	3	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CC[6a]P)(CH3)	H(CHHN)	C(NC)(H)3	N(CC[6a]P)(CH3)	H(CHHN)	109.4465	0.018	6	109.4465	0.000	6	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CFeC)(CH3)	H(CHHN)	C(NC)(H)3	N(CFeC)(CH3)	H(CHHN)	109.4873	0.018	3	109.4873	0.000	3	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(NC)(H)3	N(CRuC)(CH3)	H(CHHN)	C(NC)(H)3	N(CRuC)(CH3)	H(CHHN)	109.4708	0.084	5	109.4708	0.007	5	109.4649	0.002	47	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(NC[5a])(H)3	N(C[5a]C[5a,6a]O[5a])(CH3)	H(CHHN)	C(NC[5a])(H)3	N(C[5a]C[5a,6a]O[5a])(CH3)	H(CHHN)	109.4683	0.079	3	109.4683	0.006	3	109.4683	0.006	3	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(H)3	N(C[6a]C[6a]2)(CH3)	H(CHHN)	C(NC[6a])(H)3	N(C[6a]C[6a]2)(CH3)	H(CHHN)	109.4659	0.028	20	109.4659	0.001	20	109.4697	0.001	26	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(H)3	N(C[6a]N[6a]2)(CH3)	H(CHHN)	C(NC[6a])(H)3	N(C[6a]N[6a]2)(CH3)	H(CHHN)	109.4822	0.054	6	109.4822	0.003	6	109.4697	0.001	26	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	3:4:	4:	N-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(NN)(H)3	N(NC[5a]O)(CH3)	H(CHHN)	C(NN)(H)3	N(NC[5a]O)(CH3)	H(CHHN)	109.4827	0.020	3	109.4827	0.000	3	109.4827	0.000	3	109.4673	0.002	79	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:2:	4:	N-2:F-1:F-1:H-1:	C-4:C-2:	C-4:	C(NC)(F)2(H)	N(CFFH)(CCr)	H(CFFN)	C(NC)(F)2(H)	N(CFFH)(CCr)	H(CFFN)	109.3670	0.000	1	109.3670	0.000	1	109.3670	0.000	1	109.5272	0.190	92	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:2:	4:	N-2:H-1:H-1:H-1:	C-4:C-2:	C-4:	C(NC)(H)3	N(CH3)(CC)	H(CHHN)	C(NC)(H)3	N(CH3)(CC)	H(CHHN)	109.5157	0.078	3	109.5157	0.006	3	109.5290	0.192	91	109.5272	0.190	92	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:2:	4:	N-2:H-1:H-1:H-1:	C-4:C-2:	C-4:	C(NC)(H)3	N(CH3)(CFe)	H(CHHN)	C(NC)(H)3	N(CH3)(CFe)	H(CHHN)	109.4763	0.026	21	109.4763	0.001	21	109.5290	0.192	91	109.5272	0.190	92	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:2:	4:	N-2:H-1:H-1:H-1:	C-4:C-2:	C-4:	C(NC)(H)3	N(CH3)(CO)	H(CHHN)	C(NC)(H)3	N(CH3)(CO)	H(CHHN)	109.8804	0.851	15	109.8804	0.724	15	109.5290	0.192	91	109.5272	0.190	92	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:2:	4:	N-2:H-1:H-1:H-1:	C-4:C-2:	C-4:	C(NC)(H)3	N(CH3)(CPd)	H(CHHN)	C(NC)(H)3	N(CH3)(CPd)	H(CHHN)	109.4955	0.083	2	109.4955	0.007	2	109.5290	0.192	91	109.5272	0.190	92	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:2:	4:	N-2:H-1:H-1:H-1:	C-4:C-2:	C-4:	C(NC)(H)3	N(CH3)(CPt)	H(CHHN)	C(NC)(H)3	N(CH3)(CPt)	H(CHHN)	109.4091	0.528	18	109.4091	0.279	18	109.5290	0.192	91	109.5272	0.190	92	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:2:	4:	N-2:H-1:H-1:H-1:	C-4:C-2:	C-4:	C(NC)(H)3	N(CH3)(CRh)	H(CHHN)	C(NC)(H)3	N(CH3)(CRh)	H(CHHN)	109.4697	0.055	32	109.4697	0.003	32	109.5290	0.192	91	109.5272	0.190	92	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(NC)(H)3	N(CH3)(CCN)	H(CHHN)	C(NC)(H)3	N(CH3)(CCN)	H(CHHN)	109.4475	0.029	2	109.4475	0.001	2	109.4963	0.158	140	109.4963	0.158	140	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(NC)(H)3	N(CH3)(CCO)	H(CHHN)	C(NC)(H)3	N(CH3)(CCO)	H(CHHN)	109.4554	0.555	48	109.4554	0.308	48	109.4963	0.158	140	109.4963	0.158	140	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(NC)(H)3	N(CH3)(CHO)	H(CHHN)	C(NC)(H)3	N(CH3)(CHO)	H(CHHN)	109.4771	0.155	40	109.4771	0.024	40	109.4963	0.158	140	109.4963	0.158	140	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(NC)(H)3	N(CH3)(CNN)	H(CHHN)	C(NC)(H)3	N(CH3)(CNN)	H(CHHN)	109.4630	0.016	2	109.4630	0.000	2	109.4963	0.158	140	109.4963	0.158	140	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(NC)(H)3	N(CH3)(CNO)	H(CHHN)	C(NC)(H)3	N(CH3)(CNO)	H(CHHN)	109.4704	0.042	12	109.4704	0.002	12	109.4963	0.158	140	109.4963	0.158	140	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(NC)(H)3	N(CH3)(CNS)	H(CHHN)	C(NC)(H)3	N(CH3)(CNS)	H(CHHN)	109.5915	0.436	33	109.5915	0.190	33	109.4963	0.158	140	109.4963	0.158	140	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(NC)(H)3	N(CH3)(CSS)	H(CHHN)	C(NC)(H)3	N(CH3)(CSS)	H(CHHN)	109.5170	0.018	3	109.5170	0.000	3	109.4963	0.158	140	109.4963	0.158	140	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:4:	4:	N-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(NC)(H)3	N(CCHH)(CH3)	H(CHHN)	C(NC)(H)3	N(CCHH)(CH3)	H(CHHN)	112.3587	2.913	3	112.3587	8.487	3	109.5524	0.439	97	109.7051	1.376	122	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:4:	4:	N-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(NC)(H)3	N(CC[6a]CH)(CH3)	H(CHHN)	C(NC)(H)3	N(CC[6a]CH)(CH3)	H(CHHN)	109.4680	0.053	3	109.4680	0.003	3	109.5524	0.439	97	109.7051	1.376	122	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:4:	4:	N-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(NC)(H)3	N(CH3)2	H(CHHN)	C(NC)(H)3	N(CH3)2	H(CHHN)	109.4627	0.092	91	109.4627	0.008	91	109.5524	0.439	97	109.7051	1.376	122	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:4:	4:	N-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(NC[5])(H)3	N(C[5]C[5,6]C[5]Rh)(CH3)	H(CHHN)	C(NC[5])(H)3	N(C[5]C[5,6]C[5]Rh)(CH3)	H(CHHN)	109.4433	0.011	3	109.4433	0.000	3	109.4433	0.000	3	109.7051	1.376	122	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:4:	4:	N-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(NP)(H)3	N(PNNO)(CH3)	H(CHHN)	C(NP)(H)3	N(PNNO)(CH3)	H(CHHN)	109.4580	0.416	5	109.4580	0.173	5	109.4580	0.173	5	109.7051	1.376	122	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:4:	4:	N-2:H-1:H-1:H-1:	S-4:C-4:	C-4:	C(NS)(H)3	N(SCOO)(CH3)	H(CHHN)	C(NS)(H)3	N(SCOO)(CH3)	H(CHHN)	110.4165	3.859	6	110.4165	14.893	6	110.6951	6.517	17	109.7051	1.376	122	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:1:1:1:	4:4:	4:	N-2:H-1:H-1:H-1:	S-4:C-4:	C-4:	C(NS)(H)3	N(SC[6a]CO)(CH3)	H(CHHN)	C(NS)(H)3	N(SC[6a]CO)(CH3)	H(CHHN)	110.8470	1.705	11	110.8470	2.908	11	110.6951	6.517	17	109.7051	1.376	122	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:2:1:1:	3:4:	4:	N-2:C-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CC)(H)2	N(C[5]S[5]2)(CCHH)	H(CCHN)	C(NC[5])(CC)(H)2	N(C[5]S[5]2)(CCHH)	H(CCHN)	109.3560	0.069	3	109.3560	0.005	3	109.3560	0.005	3	109.4540	0.265	7	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:2:1:1:	3:4:	4:	N-2:C-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CC)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	C(NC[6a])(CC)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	110.1460	0.008	2	110.1460	0.000	2	110.1460	0.000	2	109.4540	0.265	7	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:2:1:1:	3:4:	4:	S-2:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(SC[6a])(NC)(H)2	N(CC[5]S)(CHHS)	H(CHNS)	C(SC[6a])(NC)(H)2	N(CC[5]S)(CHHS)	H(CHNS)	108.9090	0.008	2	108.9090	0.000	2	108.9090	0.000	2	109.4540	0.265	7	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:2:1:1:	4:1:	4:	C-2:N-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN)(NH)(H)2	N(CCHH)(H)	H(CCHN)	C(CN)(NH)(H)2	N(CCHH)(H)	H(CCHN)	114.1100	2.695	2	114.1100	7.266	2	114.1100	7.266	2	114.1100	7.266	2	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:2:1:1:	4:4:	4:	N-2:C-2:H-1:H-1:	P[6]-4:C-4:	C-4:	C(NP[6])(CC)(H)2	N(P[6]N[6]2N)(CCHH)	H(CCHN)	C(NP[6])(CC)(H)2	N(P[6]N[6]2N)(CCHH)	H(CCHN)	108.8697	0.437	11	108.8697	0.191	11	108.8697	0.191	11	108.8697	0.191	11	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:3:1:1:	3:4:	4:	N-2:C-3:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CCH)(H)2	N(C[5]C[5]S[5])(CCHH)	H(CCHN)	C(NC[5])(CCH)(H)2	N(C[5]C[5]S[5])(CCHH)	H(CCHN)	109.0195	0.026	2	109.0195	0.001	2	109.0195	0.001	2	109.0195	0.001	2	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CCHH)(H)2	N(C[5]B[5]P[5])(CCHH)	H(CCHN)	C(NC[5])(CCHH)(H)2	N(C[5]B[5]P[5])(CCHH)	H(CCHN)	109.5023	0.283	3	109.5023	0.080	3	109.5659	0.361	17	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CCHH)(H)2	N(C[5]C[5,6]N[5])(CCHH)	H(CCHN)	C(NC[5])(CCHH)(H)2	N(C[5]C[5,6]N[5])(CCHH)	H(CCHN)	107.5070	0.000	1	107.5070	0.000	1	109.5659	0.361	17	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CCHH)(H)2	N(C[5]C[5]O[5])(CCHH)	H(CCHN)	C(NC[5])(CCHH)(H)2	N(C[5]C[5]O[5])(CCHH)	H(CCHN)	110.1275	0.175	2	110.1275	0.031	2	109.5659	0.361	17	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CCHH)(H)2	N(C[5]N[5,5a]S[5])(CCHH)	H(CCHN)	C(NC[5])(CCHH)(H)2	N(C[5]N[5,5a]S[5])(CCHH)	H(CCHN)	109.5500	0.000	1	109.5500	0.000	1	109.5659	0.361	17	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CF3)(H)2	N(C[5]C[5,6a]C[5])(CCHH)	H(CCHN)	C(NC[5])(CF3)(H)2	N(C[5]C[5,6a]C[5])(CCHH)	H(CCHN)	109.8795	0.008	2	109.8795	0.000	2	109.5659	0.361	17	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CH3)(H)2	N(C[5]C[5]O[5])(CCHH)	H(CCHN)	C(NC[5])(CH3)(H)2	N(C[5]C[5]O[5])(CCHH)	H(CCHN)	109.3650	0.000	1	109.3650	0.000	1	109.5659	0.361	17	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CH3)(H)2	N(C[5]N[5,6a]S[5])(CCHH)	H(CCHN)	C(NC[5])(CH3)(H)2	N(C[5]N[5,6a]S[5])(CCHH)	H(CCHN)	109.4140	0.014	2	109.4140	0.000	2	109.5659	0.361	17	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CHHO)(H)2	N(C[5]C[5,6a]C[5])(CCHH)	H(CCHN)	C(NC[5])(CHHO)(H)2	N(C[5]C[5,6a]C[5])(CCHH)	H(CCHN)	109.6855	0.006	2	109.6855	0.000	2	109.5659	0.361	17	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CHHO)(H)2	N(C[5]C[5,6a]N[5])(CCHH)	H(CCHN)	C(NC[5])(CHHO)(H)2	N(C[5]C[5,6a]N[5])(CCHH)	H(CCHN)	109.8260	0.308	3	109.8260	0.095	3	109.5659	0.361	17	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(NC[5a])(CH3)(H)2	N(C[5a]C[5a]S[5a])(CCHH)	H(CCHN)	C(NC[5a])(CH3)(H)2	N(C[5a]C[5a]S[5a])(CCHH)	H(CCHN)	109.6855	0.265	2	109.6855	0.070	2	109.1490	2.640	10	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(NC[5a])(CHHO)(H)2	N(C[5a]C[5a,6a]N[5a])(CCHH)	H(CCHN)	C(NC[5a])(CHHO)(H)2	N(C[5a]C[5a,6a]N[5a])(CCHH)	H(CCHN)	109.0149	1.812	8	109.0149	3.282	8	109.1490	2.640	10	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CC3)(H)2	N(C[6]C[6]N[6])(CCHH)	H(CCHN)	C(NC[6])(CC3)(H)2	N(C[6]C[6]N[6])(CCHH)	H(CCHN)	108.4253	1.376	16	108.4253	1.894	16	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CCCO)(H)2	N(C[6]C[6]N[6])(CCHH)	H(CCHN)	C(NC[6])(CCCO)(H)2	N(C[6]C[6]N[6])(CCHH)	H(CCHN)	109.2915	0.008	2	109.2915	0.000	2	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CCHH)(H)2	N(C[6]C[6,6a]O[6])(CCHH)	H(CCHN)	C(NC[6])(CCHH)(H)2	N(C[6]C[6,6a]O[6])(CCHH)	H(CCHN)	109.6335	0.008	2	109.6335	0.000	2	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CCHH)(H)2	N(C[6]C[6]2)(CCHH)	H(CCHN)	C(NC[6])(CCHH)(H)2	N(C[6]C[6]2)(CCHH)	H(CCHN)	109.0653	0.035	4	109.0653	0.001	4	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CCHH)(H)2	N(C[6]C[6]N[6])(CCHH)	H(CCHN)	C(NC[6])(CCHH)(H)2	N(C[6]C[6]N[6])(CCHH)	H(CCHN)	109.3210	0.010	2	109.3210	0.000	2	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CCHH)(H)2	N(C[6]N[6]2)(CCHH)	H(CCHN)	C(NC[6])(CCHH)(H)2	N(C[6]N[6]2)(CCHH)	H(CCHN)	109.6372	0.020	4	109.6372	0.000	4	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CCHH)(H)2	N(C[6]N[6]S[6])(CCHH)	H(CCHN)	C(NC[6])(CCHH)(H)2	N(C[6]N[6]S[6])(CCHH)	H(CCHN)	109.2350	0.000	1	109.2350	0.000	1	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CH3)(H)2	N(C[6]C[6]2)(CCHH)	H(CCHN)	C(NC[6])(CH3)(H)2	N(C[6]C[6]2)(CCHH)	H(CCHN)	108.7705	0.977	4	108.7705	0.955	4	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CH3)(H)2	N(C[6]N[6]2)(CCHH)	H(CCHN)	C(NC[6])(CH3)(H)2	N(C[6]N[6]2)(CCHH)	H(CCHN)	109.3535	0.062	2	109.3535	0.004	2	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CHHN)(H)2	N(C[6]C[5a,6]N[6])(CCHH)	H(CCHN)	C(NC[6])(CHHN)(H)2	N(C[6]C[5a,6]N[6])(CCHH)	H(CCHN)	107.9585	2.481	2	107.9585	6.157	2	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CHHN)(H)2	N(C[6]C[6,6a]2)(CCHH)	H(CCHN)	C(NC[6])(CHHN)(H)2	N(C[6]C[6,6a]2)(CCHH)	H(CCHN)	109.4835	0.021	2	109.4835	0.000	2	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CHHN)(H)2	N(C[6]C[6]2)(CCHH)	H(CCHN)	C(NC[6])(CHHN)(H)2	N(C[6]C[6]2)(CCHH)	H(CCHN)	109.1835	0.032	2	109.1835	0.001	2	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)	H(CCHN)	C(NC[6])(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)	H(CCHN)	109.9518	0.053	6	109.9518	0.003	6	109.0223	1.129	49	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CC3)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	C(NC[6a])(CC3)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	107.3753	2.716	6	107.3753	7.375	6	108.5878	2.016	52	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CCFF)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	C(NC[6a])(CCFF)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	109.2470	0.055	2	109.2470	0.003	2	108.5878	2.016	52	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CCHH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHN)	C(NC[6a])(CCHH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHN)	109.2387	0.357	3	109.2387	0.127	3	108.5878	2.016	52	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CCHH)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	C(NC[6a])(CCHH)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	109.3902	0.536	8	109.3902	0.288	8	108.5878	2.016	52	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CCHH)(H)2	N(C[6a]N[6a]2)(CCHH)	H(CCHN)	C(NC[6a])(CCHH)(H)2	N(C[6a]N[6a]2)(CCHH)	H(CCHN)	108.6805	0.012	2	108.6805	0.000	2	108.5878	2.016	52	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	C(NC[6a])(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	108.7501	1.077	18	108.7501	1.160	18	108.5878	2.016	52	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)	H(CCHN)	C(NC[6a])(CHHN)(H)2	N(C[6a]C[6a]N[6a])(CCHH)	H(CCHN)	109.7290	0.000	1	109.7290	0.000	1	108.5878	2.016	52	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)	H(CCHN)	C(NC[6a])(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)	H(CCHN)	109.7025	0.132	2	109.7025	0.017	2	108.5878	2.016	52	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CHHO)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	C(NC[6a])(CHHO)(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	107.6988	1.318	10	107.6988	1.736	10	108.5878	2.016	52	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	3:4:	4:	N-2:P-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(PSeCC)(H)2	N(C[6a]C[6a]2)(CHHP)	H(CHNP)	C(NC[6a])(PSeCC)(H)2	N(C[6a]C[6a]2)(CHHP)	H(CHNP)	109.3498	0.601	6	109.3498	0.361	6	109.3498	0.361	6	108.9468	1.528	134	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	4:4:	4:	N-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(NC[6])(CCHH)(H)2	N(C[6]N[6]O[6]C)(CCHH)	H(CCHN)	C(NC[6])(CCHH)(H)2	N(C[6]N[6]O[6]C)(CCHH)	H(CCHN)	110.0805	0.006	2	110.0805	0.000	2	110.0805	0.000	2	109.1954	0.248	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	4:4:	4:	N-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(NP[6])(CCCH)(H)2	N(P[6]N[6]2N)(CCHH)	H(CCHN)	C(NP[6])(CCCH)(H)2	N(P[6]N[6]2N)(CCHH)	H(CCHN)	109.0912	0.424	12	109.0912	0.180	12	109.1185	0.193	23	109.1954	0.248	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	4:4:	4:	N-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(NP[6])(CCHH)(H)2	N(P[6]N[6]2Cl)(CCHH)	H(CCHN)	C(NP[6])(CCHH)(H)2	N(P[6]N[6]2Cl)(CCHH)	H(CCHN)	109.0405	0.093	2	109.0405	0.009	2	109.1185	0.193	23	109.1954	0.248	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	4:4:	4:	N-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(NP[6])(CCHH)(H)2	N(P[6]N[6]2S)(CCHH)	H(CCHN)	C(NP[6])(CCHH)(H)2	N(P[6]N[6]2S)(CCHH)	H(CCHN)	109.2215	0.005	2	109.2215	0.000	2	109.1185	0.193	23	109.1954	0.248	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	4:4:	4:	N-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(NP[6])(CH3)(H)2	N(P[6]N[6]2Cl)(CCHH)	H(CCHN)	C(NP[6])(CH3)(H)2	N(P[6]N[6]2Cl)(CCHH)	H(CCHN)	109.5046	0.158	5	109.5046	0.025	5	109.1185	0.193	23	109.1954	0.248	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:1:1:	4:4:	4:	N-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(NP[6])(CHHO)(H)2	N(P[6]N[6]2O)(CCHH)	H(CCHN)	C(NP[6])(CHHO)(H)2	N(P[6]N[6]2O)(CCHH)	H(CCHN)	108.2920	0.016	2	108.2920	0.000	2	109.1185	0.193	23	109.1954	0.248	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:3:1:	3:4:	4:	N-2:C-4:C-3:H-1:	C[5,6]-3:C-4:	C-4:	C(NC[5,6])(CCCH)(COO)(H)	N(C[5,6]C[5,5,6]C[5,6])(CCCH)	H(CCCN)	C(NC[5,6])(CCCH)(COO)(H)	N(C[5,6]C[5,5,6]C[5,6])(CCCH)	H(CCCN)	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.9544	0.278	7	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:3:1:	3:4:	4:	N-2:C-4:C-3:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CF3)(COO)(H)	N(C[5]C[5,6a]C[5])(CCCH)	H(CCCN)	C(NC[5])(CF3)(COO)(H)	N(C[5]C[5,6a]C[5])(CCCH)	H(CCCN)	109.1750	0.188	2	109.1750	0.035	2	109.1750	0.035	2	108.9544	0.278	7	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:3:1:	3:4:	4:	N-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCCH)	H(CCCN)	C(NC[6a])(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCCH)	H(CCCN)	109.9180	0.000	1	109.9180	0.000	1	108.9050	0.488	4	108.9544	0.278	7	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:3:1:	3:4:	4:	N-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CH3)(COO)(H)	N(C[6a]C[6a]2)(CCCH)	H(CCCN)	C(NC[6a])(CH3)(COO)(H)	N(C[6a]C[6a]2)(CCCH)	H(CCCN)	108.5673	0.218	3	108.5673	0.048	3	108.9050	0.488	4	108.9544	0.278	7	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[3]-3:C-4:	C-4:	C(NC[3])(CH3)2(H)	N(C[3]N[3]P[3])(CCCH)	H(CCCN)	C(NC[3])(CH3)2(H)	N(C[3]N[3]P[3])(CCCH)	H(CCCN)	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[4]-3:C-4:	C-4:	C(NC[4])(CH3)2(H)	N(C[4]N[4]P[4])(CCCH)	H(CCCN)	C(NC[4])(CH3)2(H)	N(C[4]N[4]P[4])(CCCH)	H(CCCN)	109.5930	0.000	1	109.5930	0.000	1	109.6067	0.008	3	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[4]-3:C-4:	C-4:	C(NC[4])(CH3)2(H)	N(C[4]N[4]S[4])(CCCH)	H(CCCN)	C(NC[4])(CH3)2(H)	N(C[4]N[4]S[4])(CCCH)	H(CCCN)	109.7010	0.000	1	109.7010	0.000	1	109.6067	0.008	3	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[4]-3:C-4:	C-4:	C(NC[4])(CH3)2(H)	N(C[4]P[4]2)(CCCH)	H(CCCN)	C(NC[4])(CH3)2(H)	N(C[4]P[4]2)(CCCH)	H(CCCN)	109.5260	0.000	1	109.5260	0.000	1	109.6067	0.008	3	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CH3)2(H)	N(C[5]C[3x3,4x5,12x6]N[5])(CCCH)	H(CCCN)	C(NC[5])(CH3)2(H)	N(C[5]C[3x3,4x5,12x6]N[5])(CCCH)	H(CCCN)	109.5610	0.000	1	109.5610	0.000	1	109.8284	1.507	11	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CH3)2(H)	N(C[5]C[5,5]N[5])(CCCH)	H(CCCN)	C(NC[5])(CH3)2(H)	N(C[5]C[5,5]N[5])(CCCH)	H(CCCN)	109.4760	0.000	1	109.4760	0.000	1	109.8284	1.507	11	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CH3)2(H)	N(C[5]C[5]N[5])(CCCH)	H(CCCN)	C(NC[5])(CH3)2(H)	N(C[5]C[5]N[5])(CCCH)	H(CCCN)	108.4320	0.000	1	108.4320	0.000	1	109.8284	1.507	11	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CH3)2(H)	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	H(CCCN)	C(NC[5])(CH3)2(H)	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	H(CCCN)	110.4324	1.596	5	110.4324	2.546	5	109.8284	1.507	11	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CH3)2(H)	N(C[5]N[5]2)(CCCH)	H(CCCN)	C(NC[5])(CH3)2(H)	N(C[5]N[5]2)(CCCH)	H(CCCN)	110.0910	0.000	1	110.0910	0.000	1	109.8284	1.507	11	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[5]-3:C-4:	C-4:	C(NC[5])(CH3)2(H)	N(C[5]N[5]S[5])(CCCH)	H(CCCN)	C(NC[5])(CH3)2(H)	N(C[5]N[5]S[5])(CCCH)	H(CCCN)	109.1950	0.206	2	109.1950	0.043	2	109.8284	1.507	11	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[5a]-3:C-4:	C-4:	C(NC[5a])(CH3)2(H)	N(C[5a]C[5a]N[5a])(CCCH)	H(CCCN)	C(NC[5a])(CH3)2(H)	N(C[5a]C[5a]N[5a])(CCCH)	H(CCCN)	109.6813	0.592	3	109.6813	0.350	3	109.6813	0.350	3	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CH3)2(H)	N(C[6]C[6]N[6])(CCCH)	H(CCCN)	C(NC[6])(CH3)2(H)	N(C[6]C[6]N[6])(CCCH)	H(CCCN)	110.1240	0.000	1	110.1240	0.000	1	109.2108	0.705	5	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CH3)2(H)	N(C[6]N[6]2)(CCCH)	H(CCCN)	C(NC[6])(CH3)2(H)	N(C[6]N[6]2)(CCCH)	H(CCCN)	109.1185	1.160	2	109.1185	1.346	2	109.2108	0.705	5	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[6]-3:C-4:	C-4:	C(NC[6])(CH3)2(H)	N(C[6]N[6]S[6])(CCCH)	H(CCCN)	C(NC[6])(CH3)2(H)	N(C[6]N[6]S[6])(CCCH)	H(CCCN)	108.8465	0.599	2	108.8465	0.359	2	109.2108	0.705	5	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	3:4:	4:	N-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a])(CH3)2(H)	N(C[6a]C[6a]2)(CCCH)	H(CCCN)	C(NC[6a])(CH3)2(H)	N(C[6a]C[6a]2)(CCCH)	H(CCCN)	108.0035	1.083	2	108.0035	1.172	2	108.0035	1.172	2	109.6771	1.854	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	4:4:	4:	N-2:C-4:C-4:H-1:	C[5]-4:C-4:	C-4:	C(NC[5])(CH3)2(H)	N(C[5]C[5]2Fe)(CCCH)	H(CCCN)	C(NC[5])(CH3)2(H)	N(C[5]C[5]2Fe)(CCCH)	H(CCCN)	109.1405	1.092	2	109.1405	1.194	2	109.1405	1.194	2	108.6188	0.790	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	4:4:	4:	N-2:C-4:C-4:H-1:	P[6]-4:C-4:	C-4:	C(NP[6])(CH3)2(H)	N(P[6]N[6]2O)(CCCH)	H(CCCN)	C(NP[6])(CH3)2(H)	N(P[6]N[6]2O)(CCCH)	H(CCCN)	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	108.6188	0.790	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	4:4:	4:	N-2:C-4:C-4:H-1:	Si[6]-4:C-4:	C-4:	C(NSi[6])(CH3)2(H)	N(Si[6]N[6]2Ni)(CCCH)	H(CCCN)	C(NSi[6])(CH3)2(H)	N(Si[6]N[6]2Ni)(CCCH)	H(CCCN)	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	108.6188	0.790	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	2:4:4:1:	7:4:	4:	N-2:C-4:C-4:H-1:	Nb[3,3]-7:C-4:	C-4:	C(NNb[3,3])(CH3)2(H)	N(Nb[3,3]N[3]2P[3]2FeN)(CCCH)	H(CCCN)	C(NNb[3,3])(CH3)2(H)	N(Nb[3,3]N[3]2P[3]2FeN)(CCCH)	H(CCCN)	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCC)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	C(CCC)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	109.7007	0.040	3	109.7007	0.002	3	109.0609	0.519	27	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCC)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CCC)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	108.9425	0.012	2	108.9425	0.000	2	109.0609	0.519	27	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCH)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	C(CCH)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	109.2170	0.013	2	109.2170	0.000	2	109.0609	0.519	27	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCO)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	C(CCO)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	109.4520	0.013	2	109.4520	0.000	2	109.0609	0.519	27	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CNO)(NC)(H)2	N(CC[5a]C[6a])(CCHH)	H(CCHN)	C(CNO)(NC)(H)2	N(CC[5a]C[6a])(CCHH)	H(CCHN)	109.4155	0.689	6	109.4155	0.475	6	109.0609	0.519	27	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CNO)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CNO)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	108.9385	0.355	8	108.9385	0.126	8	109.0609	0.519	27	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(COO)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(COO)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	108.9000	0.018	2	108.9000	0.000	2	109.0609	0.519	27	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(COO)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	C(COO)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	107.2595	1.102	2	107.2595	1.215	2	109.0609	0.519	27	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C-3:N-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]O)(NC[6a])(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	C(CC[6a]O)(NC[6a])(H)2	N(C[6a]C[6a]2)(CCHH)	H(CCHN)	109.5315	0.028	2	109.5315	0.001	2	109.5315	0.001	2	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[5a]-3:N-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	N(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NC[6a])(H)2	N(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HN)	108.5588	4.184	6	108.5588	17.502	6	108.5588	17.502	6	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6]-3:N-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[5])(H)2	N(C[5]N[5]2)(CC[6]HH)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[5])(H)2	N(C[5]N[5]2)(CC[6]HH)	H(CC[6]HN)	109.5225	0.025	2	109.5225	0.001	2	109.5225	0.001	2	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]C[5])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]C[5])(CC[6a]HH)	H(CC[6a]HN)	109.5095	0.700	4	109.5095	0.491	4	109.5095	0.491	4	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5,6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5,6])(H)2	N(C[5,6]C[3x5,6]N[5,6])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6])(H)2	N(C[5,6]C[3x5,6]N[5,6])(CC[6a]HH)	H(CC[6a]HN)	109.3620	0.027	4	109.3620	0.001	4	109.3620	0.001	4	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5,6a]N[5])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5,6a]N[5])(CC[6a]HH)	H(CC[6a]HN)	108.9725	0.042	2	108.9725	0.002	2	108.9377	1.344	13	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]2)(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]2)(CC[6a]HH)	H(CC[6a]HN)	108.5390	0.000	1	108.5390	0.000	1	108.9377	1.344	13	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]O[5])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]O[5])(CC[6a]HH)	H(CC[6a]HN)	109.1700	0.011	2	109.1700	0.000	2	108.9377	1.344	13	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]S[5])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]S[5])(CC[6a]HH)	H(CC[6a]HN)	109.1080	0.006	2	109.1080	0.000	2	108.9377	1.344	13	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]N[5,6]N[5])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]N[5,6]N[5])(CC[6a]HH)	H(CC[6a]HN)	107.3530	2.748	2	107.3530	7.550	2	108.9377	1.344	13	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]N[5]S[5])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]N[5]S[5])(CC[6a]HH)	H(CC[6a]HN)	109.1015	0.019	2	109.1015	0.000	2	108.9377	1.344	13	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]N[6a]2)(NC[5])(H)2	N(C[5]N[5]2)(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]N[6a]2)(NC[5])(H)2	N(C[5]N[5]2)(CC[6a]HH)	H(CC[6a]HN)	110.1205	0.613	2	110.1205	0.376	2	108.9377	1.344	13	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a])(H)2	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a])(H)2	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	H(CC[6a]HN)	108.1935	3.391	2	108.1935	11.496	2	108.4470	3.918	4	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a])(H)2	N(C[5a]N[5a]S[5a])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a])(H)2	N(C[5a]N[5a]S[5a])(CC[6a]HH)	H(CC[6a]HN)	108.7005	0.029	2	108.7005	0.001	2	108.4470	3.918	4	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6,6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6,6])(H)2	N(C[6,6]C[6,6]2)(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6,6])(H)2	N(C[6,6]C[6,6]2)(CC[6a]HH)	H(CC[6a]HN)	109.3765	0.060	2	109.3765	0.004	2	109.3765	0.004	2	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	N(C[6]C[6,6a]O[6])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6])(H)2	N(C[6]C[6,6a]O[6])(CC[6a]HH)	H(CC[6a]HN)	109.2535	0.013	2	109.2535	0.000	2	109.1789	0.065	7	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	N(C[6]C[6]N[6])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6])(H)2	N(C[6]C[6]N[6])(CC[6a]HH)	H(CC[6a]HN)	108.8145	0.015	2	108.8145	0.000	2	109.1789	0.065	7	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	N(C[6]N[5a,6]S[6])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6])(H)2	N(C[6]N[5a,6]S[6])(CC[6a]HH)	H(CC[6a]HN)	109.3750	0.000	1	109.3750	0.000	1	109.1789	0.065	7	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	N(C[6]N[6]S[6])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6])(H)2	N(C[6]N[6]S[6])(CC[6a]HH)	H(CC[6a]HN)	109.3705	0.026	2	109.3705	0.001	2	109.1789	0.065	7	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	N(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a])(H)2	N(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HN)	108.9722	0.407	13	108.9722	0.166	13	108.9906	0.174	19	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	N(C[6a]C[6a]N[6a])(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a])(H)2	N(C[6a]C[6a]N[6a])(CC[6a]HH)	H(CC[6a]HN)	109.0303	0.475	6	109.0303	0.226	6	108.9906	0.174	19	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	C[6a]-3:N-2:H-1:H-1:	Si[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSi[5])(H)2	N(Si[5]C[5]2)(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSi[5])(H)2	N(Si[5]C[5]2)(CC[6a]HH)	H(CC[6a]HN)	108.7535	0.008	2	108.7535	0.000	2	108.7535	0.000	2	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	3:4:	4:	P-3:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(PCC)(NC)(H)2	N(CC[6a]H)(CHHP)	H(CHNP)	C(PCC)(NC)(H)2	N(CC[6a]H)(CHHP)	H(CHNP)	109.6627	0.493	6	109.6627	0.243	6	109.6627	0.243	6	109.0702	1.475	98	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:1:	4:	C-3:N-2:H-1:H-1:	C-4:H-1:	C-4:	C(CNO)(NH)(H)2	N(CCHH)(H)	H(CCHN)	C(CNO)(NH)(H)2	N(CCHH)(H)	H(CCHN)	108.4235	0.026	2	108.4235	0.001	2	108.4235	0.001	2	108.8118	0.279	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:1:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-1:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(C)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(C)	H(CC[6a]HN)	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	108.8118	0.279	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:1:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NH)(H)2	N(CC[6a]HH)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH)(H)2	N(CC[6a]HH)(H)	H(CC[6a]HN)	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8118	0.279	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CN[5]O)(NC)(H)2	N(CCHH)(CS)	H(CCHN)	C(CN[5]O)(NC)(H)2	N(CCHH)(CS)	H(CCHN)	109.7955	0.018	2	109.7955	0.000	2	109.8548	0.007	6	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(COO)(NC)(H)2	N(CCHH)(CRe)	H(CCHN)	C(COO)(NC)(H)2	N(CCHH)(CRe)	H(CCHN)	109.9570	0.027	2	109.9570	0.001	2	109.8548	0.007	6	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(COO)(NC)(H)2	N(CCHH)(CTc)	H(CCHN)	C(COO)(NC)(H)2	N(CCHH)(CTc)	H(CCHN)	109.8120	0.006	2	109.8120	0.000	2	109.8548	0.007	6	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CCH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CCH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.2311	0.187	7	109.2311	0.035	7	109.2083	0.416	46	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CCI)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CCI)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.3387	0.219	7	109.3387	0.048	7	109.2083	0.416	46	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[5]H)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CC[5]H)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.1485	2.138	2	109.1485	4.569	2	109.2083	0.416	46	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[6a]O)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CC[6a]O)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.0396	0.795	18	109.0396	0.631	18	109.2083	0.416	46	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CNO)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CNO)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.7952	0.508	4	109.7952	0.258	4	109.2083	0.416	46	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CN[6]O)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CN[6]O)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.2130	0.023	2	109.2130	0.001	2	109.2083	0.416	46	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(COO)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(COO)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.1625	0.147	6	109.1625	0.022	6	109.2083	0.416	46	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5a]C[5a]N[5a])(NN)(H)2	N(CC[5a]HH)(NN)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NN)(H)2	N(CC[5a]HH)(NN)	H(CC[5a]HN)	109.1280	0.010	2	109.1280	0.000	2	108.9373	0.217	6	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5a]C[5a]O[5a])(NN)(H)2	N(CC[5a]HH)(NN)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NN)(H)2	N(CC[5a]HH)(NN)	H(CC[5a]HN)	108.5570	0.031	3	108.5570	0.001	3	108.9373	0.217	6	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5a]N[5a]O[5a])(NN)(H)2	N(CC[5a]HH)(NN)	H(CC[5a]HN)	C(C[5a]N[5a]O[5a])(NN)(H)2	N(CC[5a]HH)(NN)	H(CC[5a]HN)	109.6970	0.000	1	109.6970	0.000	1	108.9373	0.217	6	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6]-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6]C[6]N[6])(NN)(H)2	N(CC[6]HH)(NN)	H(CC[6]HN)	C(C[6]C[6]N[6])(NN)(H)2	N(CC[6]HH)(NN)	H(CC[6]HN)	109.2090	0.008	2	109.2090	0.000	2	109.2090	0.000	2	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6])	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6])	H(CC[6a]HN)	108.7410	0.025	2	108.7410	0.001	2	108.8436	0.376	37	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CFe)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CFe)	H(CC[6a]HN)	109.6580	0.031	2	109.6580	0.001	2	108.8436	0.376	37	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CMo)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CMo)	H(CC[6a]HN)	109.1229	0.065	7	109.1229	0.004	7	108.8436	0.376	37	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CN)	H(CC[6a]HN)	106.9260	0.962	2	106.9260	0.925	2	108.8436	0.376	37	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CNi)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CNi)	H(CC[6a]HN)	108.9890	0.045	2	108.9890	0.002	2	108.8436	0.376	37	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(COs)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(COs)	H(CC[6a]HN)	108.7579	0.488	11	108.7579	0.238	11	108.8436	0.376	37	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CPt)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CPt)	H(CC[6a]HN)	108.8437	0.339	6	108.8437	0.115	6	108.8436	0.376	37	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CRu)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CRu)	H(CC[6a]HN)	109.0656	0.070	5	109.0656	0.005	5	108.8436	0.376	37	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a,6a]2)(NN)(H)2	N(CC[6a]HH)(NN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NN)(H)2	N(CC[6a]HH)(NN)	H(CC[6a]HN)	109.3710	0.008	2	109.3710	0.000	2	108.7560	3.179	16	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	N(CC[6a]HH)(NN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	N(CC[6a]HH)(NN)	H(CC[6a]HN)	109.6132	0.078	4	109.6132	0.006	4	108.7560	3.179	16	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(NN)(H)2	N(CC[6a]HH)(NN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN)(H)2	N(CC[6a]HH)(NN)	H(CC[6a]HN)	109.3051	0.289	8	109.3051	0.083	8	108.7560	3.179	16	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:2:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]N[6a])(NN)(H)2	N(CC[6a]HH)(NC)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NN)(H)2	N(CC[6a]HH)(NC)	H(CC[6a]HN)	104.2300	0.006	2	104.2300	0.000	2	108.7560	3.179	16	109.0448	0.796	113	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCH)(NC)(H)2	N(CCHH)(COO)	H(CCHN)	C(CCH)(NC)(H)2	N(CCHH)(COO)	H(CCHN)	109.4340	3.963	2	109.4340	15.702	2	109.1368	2.917	8	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCO)(NC)(H)2	N(CCHH)(CNO)	H(CCHN)	C(CCO)(NC)(H)2	N(CCHH)(CNO)	H(CCHN)	108.2280	0.016	2	108.2280	0.000	2	109.1368	2.917	8	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(COO)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	C(COO)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	109.4425	0.916	4	109.4425	0.839	4	109.1368	2.917	8	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	N(CC[5a]HH)(CSS)	H(CC[5a]HN)	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	N(CC[5a]HH)(CSS)	H(CC[5a]HN)	109.2018	0.053	4	109.2018	0.003	4	109.3122	0.552	13	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]N[5a])(NC)(H)2	N(CC[5a]HH)(CC[6a]2)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC)(H)2	N(CC[5a]HH)(CC[6a]2)	H(CC[5a]HN)	109.8150	0.000	1	109.8150	0.000	1	109.3122	0.552	13	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]S[5a])(NC)(H)2	N(CC[5a]HH)(CC[5a]H)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NC)(H)2	N(CC[5a]HH)(CC[5a]H)	H(CC[5a]HN)	109.2610	0.000	1	109.2610	0.000	1	109.3122	0.552	13	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]S[5a])(NC)(H)2	N(CC[5a]HH)(CC[6a]H)	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NC)(H)2	N(CC[5a]HH)(CC[6a]H)	H(CC[5a]HN)	109.2342	1.246	5	109.2342	1.553	5	109.3122	0.552	13	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[5a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]N[5a]2)(NC)(H)2	N(CC[5a]HH)(CC[6a]2)	H(CC[5a]HN)	C(C[5a]N[5a]2)(NC)(H)2	N(CC[5a]HH)(CC[6a]2)	H(CC[5a]HN)	109.5025	0.016	2	109.5025	0.000	2	109.3122	0.552	13	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	C(C[6]C[6]2)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	109.2885	0.088	2	109.2885	0.008	2	109.0217	0.212	6	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(NC)(H)2	N(CC[6]HH)(CNS)	H(CC[6]HN)	C(C[6]C[6]2)(NC)(H)2	N(CC[6]HH)(CNS)	H(CC[6]HN)	108.4310	0.007	2	108.4310	0.000	2	109.0217	0.212	6	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6])(NC)(H)2	N(CC[6]HH)(CCO)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC)(H)2	N(CC[6]HH)(CCO)	H(CC[6]HN)	109.3455	0.021	2	109.3455	0.000	2	109.0217	0.212	6	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6a]O)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6a]O)	H(CC[6a]HN)	109.2305	0.144	4	109.2305	0.021	4	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	N(CC[6a]HH)(CC[6a]C)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	N(CC[6a]HH)(CC[6a]C)	H(CC[6a]HN)	109.1730	0.028	2	109.1730	0.001	2	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCC)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCC)	H(CC[6a]HN)	109.1172	0.237	18	109.1172	0.056	18	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCH)	H(CC[6a]HN)	109.6745	0.030	2	109.6745	0.001	2	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCN)	H(CC[6a]HN)	109.8785	0.066	4	109.8785	0.004	4	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCO)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCO)	H(CC[6a]HN)	108.8351	0.301	9	108.8351	0.091	9	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCS)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCS)	H(CC[6a]HN)	108.3500	0.577	2	108.3500	0.333	2	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5]H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5]H)	H(CC[6a]HN)	109.2022	0.460	10	109.2022	0.211	10	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5]O)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5]O)	H(CC[6a]HN)	108.7550	0.000	1	108.7550	0.000	1	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5a]2)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5a]2)	H(CC[6a]HN)	109.6350	0.037	2	109.6350	0.001	2	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5a]H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5a]H)	H(CC[6a]HN)	109.3804	0.339	17	109.3804	0.115	17	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5a]O)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5a]O)	H(CC[6a]HN)	108.7270	0.011	2	108.7270	0.000	2	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5a]S)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[5a]S)	H(CC[6a]HN)	104.5583	7.460	2	104.5583	55.645	2	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6]S)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6]S)	H(CC[6a]HN)	109.4447	0.269	8	109.4447	0.072	8	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6a]C)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6a]C)	H(CC[6a]HN)	109.6493	0.424	10	109.6493	0.180	10	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]HN)	109.0047	1.706	100	109.0047	2.912	100	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6a]O)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CC[6a]O)	H(CC[6a]HN)	109.2703	0.469	18	109.2703	0.220	18	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CNN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CNN)	H(CC[6a]HN)	109.6355	0.013	2	109.6355	0.000	2	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CNS)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CNS)	H(CC[6a]HN)	109.0870	0.814	4	109.0870	0.662	4	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CN[5a]C)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CN[5a]C)	H(CC[6a]HN)	109.3445	0.029	2	109.3445	0.001	2	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(NC)(H)2	N(CC[6a]HH)(CC[6a]C)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC)(H)2	N(CC[6a]HH)(CC[6a]C)	H(CC[6a]HN)	109.5545	0.158	4	109.5545	0.025	4	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(NC)(H)2	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC)(H)2	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]HN)	109.6584	0.755	12	109.6584	0.570	12	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(NC)(H)2	N(CC[6a]HH)(CC[6a]O)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC)(H)2	N(CC[6a]HH)(CC[6a]O)	H(CC[6a]HN)	109.6035	0.220	4	109.6035	0.049	4	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:3:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(NC)(H)2	N(CC[6a]HH)(CNO)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC)(H)2	N(CC[6a]HH)(CNO)	H(CC[6a]HN)	108.4195	0.052	2	108.4195	0.003	2	109.1436	1.770	241	109.1488	1.698	268	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C-3:N-2:H-1:H-1:	S-4:C-4:	C-4:	C(CNO)(NS)(H)2	N(SC[6a]OO)(CCHH)	H(CCHN)	C(CNO)(NS)(H)2	N(SC[6a]OO)(CCHH)	H(CCHN)	109.0810	0.016	4	109.0810	0.000	4	109.0810	0.000	4	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(NC)(H)2	N(CC[6a]HP)(CC[6]HH)	H(CC[6]HN)	C(C[6]C[6]2)(NC)(H)2	N(CC[6a]HP)(CC[6]HH)	H(CC[6]HN)	108.4540	6.874	2	108.4540	47.259	2	108.4540	47.259	2	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6]C[6]N[6])(NP)(H)2	N(CC[6]HH)(PC3)	H(CC[6]HN)	C(C[6]C[6]N[6])(NP)(H)2	N(CC[6]HH)(PC3)	H(CC[6]HN)	109.4475	0.035	2	109.4475	0.001	2	109.1565	0.051	6	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6]-3:N-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6]C[6]N[6])(NP)(H)2	N(CC[6]HH)(PC[6a]3)	H(CC[6]HN)	C(C[6]C[6]N[6])(NP)(H)2	N(CC[6]HH)(PC[6a]3)	H(CC[6]HN)	109.0110	0.020	4	109.0110	0.000	4	109.1565	0.051	6	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CC[6a]HN)	109.2910	0.066	2	109.2910	0.004	2	109.0713	0.095	25	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]CH)(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]CH)(CC[6a]HH)	H(CC[6a]HN)	108.9690	0.055	2	108.9690	0.003	2	109.0713	0.095	25	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CC[6a]HN)	108.8060	0.375	4	108.8060	0.141	4	109.0713	0.095	25	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	N(CC[6a]HH)2	H(CC[6a]HN)	109.1199	0.296	17	109.1199	0.088	17	109.0713	0.095	25	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(NP)(H)2	N(CC[6a]HH)(PNOO)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NP)(H)2	N(CC[6a]HH)(PNOO)	H(CC[6a]HN)	108.4455	0.006	2	108.4455	0.000	2	108.9727	0.216	6	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]N[6a])(NP)(H)2	N(CC[6a]HH)(PC[6a]3)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NP)(H)2	N(CC[6a]HH)(PC[6a]3)	H(CC[6a]HN)	109.2362	0.287	4	109.2362	0.083	4	108.9727	0.216	6	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6a]-3:N-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(NS)(H)2	N(CC[6a]HH)(SC[6a]OO)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NS)(H)2	N(CC[6a]HH)(SC[6a]OO)	H(CC[6a]HN)	108.9440	0.014	2	108.9440	0.000	2	108.9440	0.000	2	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:1:1:	4:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]2H)(CC[6a]HH)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	N(C[5]C[5]2H)(CC[6a]HH)	H(CC[6a]HN)	109.2970	0.222	4	109.2970	0.049	4	109.2970	0.049	4	109.0585	1.086	49	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:2:1:	3:4:	4:	C-3:N-2:O-2:H-1:	C-3:C-4:	C-4:	C(CCH)(NC)(OC)(H)	N(CC[6a]2)(CCHO)	H(CCNO)	C(CCH)(NC)(OC)(H)	N(CC[6a]2)(CCHO)	H(CCNO)	107.6560	0.000	1	107.6560	0.000	1	109.1848	0.958	5	109.1848	0.958	5	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:2:1:	3:4:	4:	C-3:N-2:O-2:H-1:	C-3:C-4:	C-4:	C(CNO)(NC)(OH)(H)	N(CC[6a]2)(CCHO)	H(CCNO)	C(CNO)(NC)(OH)(H)	N(CC[6a]2)(CCHO)	H(CCNO)	109.5670	0.551	4	109.5670	0.303	4	109.1848	0.958	5	109.1848	0.958	5	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:2:1:	4:2:	4:	C[6a]-3:N-2:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(NN)2(H)	N(CC[6a]HN)(NN)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NN)2(H)	N(CC[6a]HN)(NN)	H(CC[6a]NN)	108.5190	0.061	4	108.5190	0.004	4	108.5190	0.004	4	108.5190	0.004	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:2:1:	4:3:	4:	C[6a]-3:N-2:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC)2(H)	N(CC[6a]HN)(CC[6a]H)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NC)2(H)	N(CC[6a]HN)(CC[6a]H)	H(CC[6a]NN)	108.8692	0.891	4	108.8692	0.794	4	108.8692	0.794	4	108.8692	0.794	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:2:1:	4:4:	4:	C[6a]-3:C-2:N-2:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(CN)(NP)(H)	N(CC[6a]CH)(PC[6a]2O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CN)(NP)(H)	N(CC[6a]CH)(PC[6a]2O)	H(CC[6a]CN)	107.4370	0.000	1	107.4370	0.000	1	107.4370	0.000	1	107.4370	0.000	1	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:3:1:	3:4:	4:	C[6]-3:N-2:O-3:H-1:	C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	N(C[6]N[6]2)(CC[6]HO)	H(CC[6]NO)	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	N(C[6]N[6]2)(CC[6]HO)	H(CC[6]NO)	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	109.5590	3.372	3	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:3:1:	3:4:	4:	C[6a]-3:N-2:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(COO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a])(COO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	109.5590	3.372	3	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:3:1:	3:4:	4:	C[6a]-3:N-2:C-3:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[6])(CCH)(H)	N(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NN[6])(CCH)(H)	N(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CN)	111.6750	0.000	1	111.6750	0.000	1	111.6750	0.000	1	109.5590	3.372	3	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:4:1:	3:4:	4:	C-3:N-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]O)(NC[6a])(CH3)(H)	N(C[6a]C[6a]2)(CCCH)	H(CCCN)	C(CC[6a]O)(NC[6a])(CH3)(H)	N(C[6a]C[6a]2)(CCCH)	H(CCCN)	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	108.3653	0.460	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:4:1:	3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	N(C[5a]N[5a]S[5a])(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	N(C[5a]N[5a]S[5a])(CC[6a]CH)	H(CC[6a]CN)	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	108.3653	0.460	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:4:1:	3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	108.1070	0.000	1	108.1070	0.000	1	108.3437	0.706	3	108.3653	0.460	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:4:1:	3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	109.2770	0.000	1	109.2770	0.000	1	108.3437	0.706	3	108.3653	0.460	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:4:1:	3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	107.6470	0.000	1	107.6470	0.000	1	108.3437	0.706	3	108.3653	0.460	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:4:1:	3:4:	4:	N-3:N-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(NC[6a]H)(NC[6a])(CCl3)(H)	N(C[6a]C[6a]2)(CCHN)	H(CCNN)	C(NC[6a]H)(NC[6a])(CCl3)(H)	N(C[6a]C[6a]2)(CCHN)	H(CCNN)	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	108.3653	0.460	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:4:1:	4:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	N(C[5]C[5]2Fe)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	N(C[5]C[5]2Fe)(CC[6a]CH)	H(CC[6a]CN)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	106.9535	2.018	2	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:2:4:1:	4:4:	4:	C[6a]-3:N-2:C-4:H-1:	P[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	N(P[6]O[6]2S)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	N(P[6]O[6]2S)(CC[6a]CH)	H(CC[6a]CN)	105.9490	0.000	1	105.9490	0.000	1	105.9490	0.000	1	106.9535	2.018	2	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:2:	4:	C[5a]-3:C[6a]-3:N-2:H-1:	C-4:N-2:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	N(CC[5a]C[6a]H)(NN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	N(CC[5a]C[6a]H)(NN)	H(CC[5a]C[6a]N)	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	107.7465	0.035	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:2:	4:	C[6a]-3:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	107.7465	0.035	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:2:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CS)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CS)	H(CC[6a]2N)	107.7350	0.010	2	107.7350	0.000	2	107.7350	0.000	2	107.7465	0.035	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C-3:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CNO)(COO)(NC)(H)	N(CCCH)(CSS)	H(CCCN)	C(CNO)(COO)(NC)(H)	N(CCCH)(CSS)	H(CCCN)	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCC)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCC)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	104.1930	0.000	1	104.1930	0.000	1	108.9414	3.496	24	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[6a]CN)	106.0960	0.000	1	106.0960	0.000	1	108.9414	3.496	24	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CNO)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	109.2865	1.498	22	109.2865	2.245	22	108.9414	3.496	24	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2H)(CC[6a]H)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2H)(CC[6a]H)	H(CC[6a]2N)	108.4920	0.000	1	108.4920	0.000	1	108.3756	0.441	17	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CCH)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CCH)	H(CC[6a]2N)	108.5063	0.751	6	108.5063	0.564	6	108.3756	0.441	17	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CC[5]O)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CC[5]O)	H(CC[6a]2N)	107.0970	0.000	1	107.0970	0.000	1	108.3756	0.441	17	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CC[6a]2)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CC[6a]2)	H(CC[6a]2N)	108.1780	0.484	3	108.1780	0.234	3	108.3756	0.441	17	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CC[6a]H)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CC[6a]H)	H(CC[6a]2N)	108.5926	0.644	5	108.5926	0.415	5	108.3756	0.441	17	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CC[6a]N)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC)(H)	N(CC[6a]2H)(CC[6a]N)	H(CC[6a]2N)	108.2610	0.000	1	108.2610	0.000	1	108.3756	0.441	17	108.7197	2.218	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:N-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NC)(H)	N(CC[6a]CH)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NC)(H)	N(CC[6a]CH)2	H(CC[6a]CN)	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	109.9160	2.340	5	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CCH)(NS)(H)	N(CC[6a]CH)(SC[6a]2O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCH)(NS)(H)	N(CC[6a]CH)(SC[6a]2O)	H(CC[6a]CN)	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	109.9160	2.340	5	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)2(NS)(H)	N(CC[6a]2H)(SC[6a]2O)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NS)(H)	N(CC[6a]2H)(SC[6a]2O)	H(CC[6a]2N)	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.9160	2.340	5	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	S[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(NS[5])(H)	N(S[5]C[5,6a]2O)(CC[6a]2H)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NS[5])(H)	N(S[5]C[5,6a]2O)(CC[6a]2H)	H(CC[6a]2N)	110.7060	2.698	2	110.7060	7.281	2	110.7060	7.281	2	109.9160	2.340	5	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	3:4:	4:	C-3:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CN[6]O)(CCHN)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CN[6]O)(CCHN)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	108.5630	1.083	3	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	N(C[5]C[5,6a]2)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	N(C[5]C[5,6a]2)(CC[6a]CH)	H(CC[6a]CN)	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	108.5630	1.083	3	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CN)	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	108.5630	1.083	3	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CC[4]H)(CCHH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CC[4]H)(CCHH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	109.6090	0.000	1	109.6090	0.000	1	108.8803	0.734	6	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CC[6a]O)(CCCH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CC[6a]O)(CCCH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	109.1720	0.000	1	109.1720	0.000	1	108.8803	0.734	6	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CN[5]O)(CC3)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CN[5]O)(CC3)(NN)(H)	N(CCCH)(NN)	H(CCCN)	107.7300	0.000	1	107.7300	0.000	1	108.8803	0.734	6	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CN[5]O)(CCCO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CN[5]O)(CCCO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	109.3255	0.869	2	109.3255	0.755	2	108.8803	0.734	6	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CN[5]O)(CCHH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CN[5]O)(CCHH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	108.1200	0.000	1	108.1200	0.000	1	108.8803	0.734	6	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[5a]-3:C[6]-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	N(CC[5a]C[6]H)(NN)	H(CC[5a]C[6]N)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	N(CC[5a]C[6]H)(NN)	H(CC[5a]C[6]N)	107.0130	0.000	1	107.0130	0.000	1	107.0130	0.000	1	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	N(CC[6a]CH)(CO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	N(CC[6a]CH)(CO)	H(CC[6a]CN)	106.7690	0.000	1	106.7690	0.000	1	107.8093	0.816	3	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-2:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CRu)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CRu)	H(CC[6a]CN)	108.3295	0.095	2	108.3295	0.009	2	107.8093	0.816	3	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	107.5460	0.000	1	107.5460	0.000	1	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CCCH)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	108.8915	0.476	2	108.8915	0.226	2	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CCHH)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	109.7650	1.678	3	109.7650	2.817	3	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	106.5570	1.856	3	106.5570	3.444	3	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	108.3580	0.000	1	108.3580	0.000	1	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	N(CC[6a]CH)(NC[6a])	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	N(CC[6a]CH)(NC[6a])	H(CC[6a]CN)	107.7570	0.000	1	107.7570	0.000	1	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NC[6a])	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NC[6a])	H(CC[6a]CN)	109.8900	0.000	1	109.8900	0.000	1	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NMo)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NMo)	H(CC[6a]CN)	107.5690	0.000	1	107.5690	0.000	1	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	109.4680	0.000	1	109.4680	0.000	1	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	N(CC[6a]CH)(NN)	H(CC[6a]CN)	109.8090	0.000	1	109.8090	0.000	1	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CH3)(NN)(H)	N(CC[6a]CH)(NC)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NN)(H)	N(CC[6a]CH)(NC)	H(CC[6a]CN)	108.8970	0.000	1	108.8970	0.000	1	108.5027	2.418	16	108.4525	1.841	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CN[5]O)(CCHH)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CN[5]O)(CCHH)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	108.9520	0.000	1	108.9520	0.000	1	107.9950	4.100	3	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CN[5]O)(CCHH)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CN[5]O)(CCHH)(NC)(H)	N(CCCH)(COO)	H(CCCN)	105.6690	0.000	1	105.6690	0.000	1	107.9950	4.100	3	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CN[5]O)(CHHN)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CN[5]O)(CHHN)(NC)(H)	N(CCCH)(COO)	H(CCCN)	109.3640	0.000	1	109.3640	0.000	1	107.9950	4.100	3	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[5a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	N(CC[5a]CH)(COO)	H(CC[5a]CN)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	N(CC[5a]CH)(COO)	H(CC[5a]CN)	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[5a]-3:C-4:N-2:H-1:	C-4:S-3:	C-4:	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	N(CC[5a]CH)(SCO)	H(CC[5a]CN)	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	N(CC[5a]CH)(SCO)	H(CC[5a]CN)	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	N(CC[6,6]CH)(CC[6a]H)	H(CC[6,6]CN)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	N(CC[6,6]CH)(CC[6a]H)	H(CC[6,6]CN)	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	N(CC[6a]CH)(CC[5]O)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	N(CC[6a]CH)(CC[5]O)	H(CC[6a]CN)	108.9360	0.000	1	108.9360	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[6a]CN)	109.0515	0.156	2	109.0515	0.024	2	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	109.1720	0.364	6	109.1720	0.133	6	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]O)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]O)	H(CC[6a]CN)	108.7733	0.566	3	108.7733	0.321	3	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCCH)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	107.5560	0.000	1	107.5560	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCCO)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCO)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	108.5040	0.000	1	108.5040	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCFF)(NC)(H)	N(CC[6a]CH)(CC[6a]O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFF)(NC)(H)	N(CC[6a]CH)(CC[6a]O)	H(CC[6a]CN)	107.7020	0.000	1	107.7020	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHH)(NC)(H)	N(CC[6a]CH)(CNS)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NC)(H)	N(CC[6a]CH)(CNS)	H(CC[6a]CN)	106.7000	0.000	1	106.7000	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHN)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	108.1695	0.470	2	108.1695	0.221	2	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHO)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	109.2930	0.000	1	109.2930	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	N(CC[6a]CH)(CCO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	N(CC[6a]CH)(CCO)	H(CC[6a]CN)	107.5220	1.332	2	107.5220	1.775	2	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	N(CC[6a]CH)(CC[6a]2)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	N(CC[6a]CH)(CC[6a]2)	H(CC[6a]CN)	109.7420	0.000	1	109.7420	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	N(CC[6a]CH)(CC[6a]C)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	N(CC[6a]CH)(CC[6a]C)	H(CC[6a]CN)	109.4267	0.441	4	109.4267	0.194	4	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6,6]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6,6]H)	H(CC[6a]CN)	109.1723	0.375	6	109.1723	0.140	6	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6a]2)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6a]2)	H(CC[6a]CN)	108.8565	0.107	2	108.8565	0.011	2	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	108.7576	0.569	14	108.7576	0.324	14	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6a]O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6a]O)	H(CC[6a]CN)	107.3960	0.000	1	107.3960	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	N(CC[6a]CH)(CC[6a]2)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	N(CC[6a]CH)(CC[6a]2)	H(CC[6a]CN)	113.3450	0.000	1	113.3450	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	108.0953	0.568	7	108.0953	0.323	7	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	106.7350	0.000	1	106.7350	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CCC)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CCC)	H(CC[6a]CN)	108.1950	0.000	1	108.1950	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CCN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CCN)	H(CC[6a]CN)	108.2090	0.000	1	108.2090	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CCO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CCO)	H(CC[6a]CN)	107.5054	0.536	5	107.5054	0.287	5	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[3]O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[3]O)	H(CC[6a]CN)	102.8400	0.000	1	102.8400	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[3x4]O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[3x4]O)	H(CC[6a]CN)	108.5565	0.226	2	108.5565	0.051	2	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[4]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[4]H)	H(CC[6a]CN)	108.3260	0.000	1	108.3260	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[5]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[5]H)	H(CC[6a]CN)	106.8300	0.000	1	106.8300	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[6a]CN)	108.7439	0.349	8	108.7439	0.122	8	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6]H)	H(CC[6a]CN)	108.9130	0.011	2	108.9130	0.000	2	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]CN)	108.8690	1.055	25	108.8690	1.114	25	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]O)	H(CC[6a]CN)	107.8727	0.443	4	107.8727	0.197	4	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	107.6820	0.645	2	107.6820	0.416	2	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CHHO)(NC)(H)	N(CC[6a]CH)(CCH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	N(CC[6a]CH)(CCH)	H(CC[6a]CN)	109.2300	0.000	1	109.2300	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CHHO)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	N(CC[6a]CH)(COO)	H(CC[6a]CN)	107.8180	0.000	1	107.8180	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	N(CC[6a]CH)(CCO)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	N(CC[6a]CH)(CCO)	H(CC[6a]CN)	106.8550	0.000	1	106.8550	0.000	1	108.5594	1.239	114	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-3:	C-4:	C(C[6a]C[6a]2)(CCHH)(NS)(H)	N(CC[6a]CH)(SCO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NS)(H)	N(CC[6a]CH)(SCO)	H(CC[6a]CN)	109.0880	0.000	1	109.0880	0.000	1	108.5225	0.640	2	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	N(CC[6a]CH)(SCO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	N(CC[6a]CH)(SCO)	H(CC[6a]CN)	107.9570	0.000	1	107.9570	0.000	1	108.5225	0.640	2	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:N-2:H-1:	C-4:S-3:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	N(CC[6a]C[6]H)(SCO)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	N(CC[6a]C[6]H)(SCO)	H(CC[6a]C[6]N)	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.5308	1.281	123	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C-3:C-4:N-2:H-1:	S-4:C-4:	C-4:	C(CC[6a]O)(CCHH)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CC[6a]O)(CCHH)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NC)(H)	N(CC[5,5,6]HH)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	N(CC[5,5,6]HH)(CC[6a]CH)	H(CC[6a]CN)	104.8170	0.000	1	104.8170	0.000	1	107.7616	3.974	5	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CCCH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CCCH)	H(CC[6a]CN)	107.3320	0.000	1	107.3320	0.000	1	107.7616	3.974	5	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CH3)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CH3)	H(CC[6a]CN)	110.2760	0.000	1	110.2760	0.000	1	107.7616	3.974	5	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)2	H(CC[6a]CN)	107.7740	0.000	1	107.7740	0.000	1	107.7616	3.974	5	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CN)	108.6090	0.000	1	108.6090	0.000	1	107.7616	3.974	5	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	N(CC[6a]CH)(PC[6a]2O)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	N(CC[6a]CH)(PC[6a]2O)	H(CC[6a]CN)	107.7710	0.697	2	107.7710	0.486	2	108.1618	0.308	6	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	N(CC[6a]CH)(PC[6a]2O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	N(CC[6a]CH)(PC[6a]2O)	H(CC[6a]CN)	107.7740	0.000	1	107.7740	0.000	1	108.1618	0.308	6	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NP)(H)	N(CC[6a]CH)(PC[6a]2N)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NP)(H)	N(CC[6a]CH)(PC[6a]2N)	H(CC[6a]CN)	108.5517	0.266	3	108.5517	0.070	3	108.1618	0.308	6	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	N(CC[6a]CH)(SNOO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	N(CC[6a]CH)(SNOO)	H(CC[6a]CN)	106.9780	0.000	1	106.9780	0.000	1	107.3160	8.293	11	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	N(CC[6a]CH)(SO3)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	N(CC[6a]CH)(SO3)	H(CC[6a]CN)	108.4550	0.000	1	108.4550	0.000	1	107.3160	8.293	11	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	107.4090	0.000	1	107.4090	0.000	1	107.3160	8.293	11	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	107.5420	0.000	1	107.5420	0.000	1	107.3160	8.293	11	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	99.0919	0.000	1	99.0919	0.000	1	107.3160	8.293	11	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	107.8620	1.003	2	107.8620	1.005	2	107.3160	8.293	11	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	N(CC[6a]CH)(SCOO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	N(CC[6a]CH)(SCOO)	H(CC[6a]CN)	109.1005	0.016	2	109.1005	0.000	2	107.3160	8.293	11	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	N(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CN)	109.7350	0.000	1	109.7350	0.000	1	107.3160	8.293	11	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CCl3)(NS)(H)	N(CC[6a]CH)(SCOO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl3)(NS)(H)	N(CC[6a]CH)(SCOO)	H(CC[6a]CN)	107.3400	0.000	1	107.3400	0.000	1	107.3160	8.293	11	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:N-2:H-1:	P-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(NP)(H)	N(PC[6a]C[6]O)(CC[6a]CH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	N(PC[6a]C[6]O)(CC[6a]CH)	H(CC[6a]CN)	105.3860	0.966	2	105.3860	0.933	2	105.3860	0.933	2	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	3:4:2:1:	4:4:	4:	C[6a]-3:P-4:N-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(NC)(H)	N(CC[6a]HP)(CC[6]HH)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PO3)(NC)(H)	N(CC[6a]HP)(CC[6]HH)	H(CC[6a]NP)	107.1700	0.000	1	107.1700	0.000	1	107.1700	0.000	1	107.5131	4.656	26	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC3)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	C(CC3)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	109.2355	0.132	4	109.2355	0.017	4	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC3)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	C(CC3)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	109.4990	1.269	8	109.4990	1.609	8	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC3)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CC3)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.1643	0.574	86	109.1643	0.330	86	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCCH)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	C(CCCH)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	109.7280	0.061	2	109.7280	0.004	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCCH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CCCH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.3087	0.180	6	109.3087	0.033	6	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[5]O)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[5]O)(CCHH)	H(CCHN)	109.2137	0.201	6	109.2137	0.040	6	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	109.3604	0.280	10	109.3604	0.078	10	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[5a]O)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[5a]O)(CCHH)	H(CCHN)	108.6370	0.312	8	108.6370	0.098	8	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[6]H)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[6]H)(CCHH)	H(CCHN)	109.7185	0.677	10	109.7185	0.458	10	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[6]O)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[6]O)(CCHH)	H(CCHN)	109.2112	0.420	12	109.2112	0.176	12	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[6]S)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[6]S)(CCHH)	H(CCHN)	109.3435	0.143	8	109.3435	0.020	8	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	109.6262	0.092	5	109.6262	0.009	5	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	109.5076	1.353	21	109.5076	1.831	21	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.4170	1.012	128	109.4170	1.025	128	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	109.0175	0.396	12	109.0175	0.157	12	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CN[5]2)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CN[5]2)(CCHH)	H(CCHN)	109.9150	0.014	2	109.9150	0.000	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CN[6]2)(CCHH)	H(CCHN)	C(CCHH)(NC)(H)2	N(CN[6]2)(CCHH)	H(CCHN)	109.8213	0.061	4	109.8213	0.004	4	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHN)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	C(CCHN)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	109.7365	0.049	2	109.7365	0.002	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHN)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CCHN)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.2393	0.078	6	109.2393	0.006	6	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHO)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	C(CCHO)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	109.2940	0.105	4	109.2940	0.011	4	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHO)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CCHO)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.3974	0.461	27	109.3974	0.213	27	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5]HH)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	C(CC[5]HH)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	109.4177	0.028	4	109.4177	0.001	4	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5a]HH)(NC)(H)2	N(CC[5]H)(CCHH)	H(CCHN)	C(CC[5a]HH)(NC)(H)2	N(CC[5]H)(CCHH)	H(CCHN)	109.6830	0.034	2	109.6830	0.001	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5a]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CC[5a]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.7767	0.324	10	109.7767	0.105	10	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6]HH)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	C(CC[6]HH)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	108.8840	0.014	2	108.8840	0.000	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]CC)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CC[6a]CC)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.4510	0.027	3	109.4510	0.001	3	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	C(CC[6a]HH)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	109.1070	0.024	2	109.1070	0.001	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	C(CC[6a]HH)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	109.3270	0.010	2	109.3270	0.000	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CC[6a]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.6322	0.310	13	109.6322	0.096	13	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	C(CC[6a]HH)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	109.6460	0.000	1	109.6460	0.000	1	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(NC)(H)2	N(CC[5]C)(CCHH)	H(CCHN)	C(CH3)(NC)(H)2	N(CC[5]C)(CCHH)	H(CCHN)	109.0850	0.044	2	109.0850	0.002	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(NC)(H)2	N(CC[6]C)(CCHH)	H(CCHN)	C(CH3)(NC)(H)2	N(CC[6]C)(CCHH)	H(CCHN)	109.0595	0.183	2	109.0595	0.034	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(NC)(H)2	N(CN[5]S)(CCHH)	H(CCHN)	C(CH3)(NC)(H)2	N(CN[5]S)(CCHH)	H(CCHN)	109.1115	0.076	2	109.1115	0.006	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[5a]C)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[5a]C)(CCHH)	H(CCHN)	109.6335	0.120	4	109.6335	0.014	4	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	109.3625	0.779	53	109.3625	0.607	53	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[5a]W)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[5a]W)(CCHH)	H(CCHN)	110.1780	0.038	2	110.1780	0.001	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[6]H)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[6]H)(CCHH)	H(CCHN)	109.4175	0.381	10	109.4175	0.145	10	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[6]O)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[6]O)(CCHH)	H(CCHN)	108.8560	0.000	1	108.8560	0.000	1	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[6a]2)(CCHH)	H(CCHN)	109.6691	0.128	11	109.6691	0.016	11	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	109.7037	0.243	27	109.7037	0.059	27	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.5737	0.605	297	109.5737	0.366	297	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	108.1684	1.423	33	108.1684	2.026	33	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(NC)(H)2	N(CC[5]O)(CCHH)	H(CCHN)	C(CHHO)(NC)(H)2	N(CC[5]O)(CCHH)	H(CCHN)	109.3695	0.021	2	109.3695	0.000	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	C(CHHO)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	109.7040	0.038	2	109.7040	0.001	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(NC)(H)2	N(CC[6]H)(CCHH)	H(CCHN)	C(CHHO)(NC)(H)2	N(CC[6]H)(CCHH)	H(CCHN)	105.6920	1.918	2	105.6920	3.677	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(NC)(H)2	N(CC[6]O)(CCHH)	H(CCHN)	C(CHHO)(NC)(H)2	N(CC[6]O)(CCHH)	H(CCHN)	109.1640	0.013	2	109.1640	0.000	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	C(CHHO)(NC)(H)2	N(CC[6a]C)(CCHH)	H(CCHN)	111.3053	0.052	4	111.3053	0.003	4	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CHHO)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.5228	0.206	22	109.5228	0.042	22	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHP)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	C(CHHP)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	109.6410	0.025	2	109.6410	0.001	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHS)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CHHS)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.6190	0.000	1	109.6190	0.000	1	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHS)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	C(CHHS)(NC)(H)2	N(CC[6a]O)(CCHH)	H(CCHN)	109.5310	0.049	2	109.5310	0.002	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[5]HH)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	C(CN[5]HH)(NC)(H)2	N(CC[5a]H)(CCHH)	H(CCHN)	109.6883	0.113	3	109.6883	0.013	3	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[5]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CN[5]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.6750	0.281	36	109.6750	0.079	36	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[5a]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CN[5a]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.4530	0.152	4	109.4530	0.023	4	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[6]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CN[6]HH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.3372	1.320	4	109.3372	1.742	4	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:	C-4:	C(CSeHH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	C(CSeHH)(NC)(H)2	N(CC[6a]H)(CCHH)	H(CCHN)	109.3345	0.047	2	109.3345	0.002	2	109.4177	0.609	942	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	C-4:N-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(CC[5a]HH)(NC[5])(H)2	N(C[5]C[5,6a]C[5])(CCHH)	H(CCHN)	C(CC[5a]HH)(NC[5])(H)2	N(C[5]C[5,6a]C[5])(CCHH)	H(CCHN)	109.3410	0.048	2	109.3410	0.002	2	109.3410	0.002	2	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	3:4:	4:	S-4:N-2:H-1:H-1:	C[4]-3:C-4:	C-4:	C(SC[6a]OO)(NC[4])(H)2	N(C[4]C[4]2)(CHHS)	H(CHNS)	C(SC[6a]OO)(NC[4])(H)2	N(C[4]C[4]2)(CHHS)	H(CHNS)	109.7465	0.013	2	109.7465	0.000	2	109.7465	0.000	2	109.4182	0.606	946	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-1:	C-4:	C(CC3)(NC)(H)2	N(CCHH)(C)	H(CCHN)	C(CC3)(NC)(H)2	N(CCHH)(C)	H(CCHN)	109.4115	0.012	2	109.4115	0.000	2	110.0150	0.612	4	106.3955	234.463	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-1:	C-4:	C(CF3)(NC)(H)2	N(CCHH)(C)	H(CCHN)	C(CF3)(NC)(H)2	N(CCHH)(C)	H(CCHN)	110.6185	0.616	2	110.6185	0.379	2	110.0150	0.612	4	106.3955	234.463	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:1:	4:	C-4:N-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCHH)(NH)(H)2	N(CCHH)(H)	H(CCHN)	C(CCHH)(NH)(H)2	N(CCHH)(H)	H(CCHN)	109.2124	2.043	5	109.2124	4.176	5	109.4629	20.028	18	106.3955	234.463	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:1:	4:	C-4:N-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(NH)(H)2	N(CCHH)(H)	H(CCHN)	C(CC[6a]HO)(NH)(H)2	N(CCHH)(H)	H(CCHN)	108.3355	0.097	2	108.3355	0.009	2	109.4629	20.028	18	106.3955	234.463	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:1:	4:	C-4:N-2:H-1:H-1:	C-4:H-1:	C-4:	C(CHHN)(NH)(H)2	N(CCHH)(H)	H(CCHN)	C(CHHN)(NH)(H)2	N(CCHH)(H)	H(CCHN)	109.6739	3.610	9	109.6739	13.030	9	109.4629	20.028	18	106.3955	234.463	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:1:	4:	C-4:N-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[6]HH)(NH)(H)2	N(CCHH)(H)	H(CCHN)	C(CN[6]HH)(NH)(H)2	N(CCHH)(H)	H(CCHN)	110.2674	14.662	2	110.2674	214.972	2	109.4629	20.028	18	106.3955	234.463	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:1:	4:	C-4:N-2:H-1:O-1:	C-4:H-1:	C-4:	C(CCCN)(NH)(H)(O)	N(CCHO)(H)	H(CCNO)	C(CCCN)(NH)(H)(O)	N(CCHO)(H)	H(CCNO)	35.4851	0.000	1	35.4851	0.000	1	35.4851	0.000	1	106.3955	234.463	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:1:	4:	C[4]-4:N-2:H-1:H-1:	C-4:F-1:	C-4:	C(C[4]C[4]2C)(NF)(H)2	N(CC[4]HH)(F)	H(CC[4]HN)	C(C[4]C[4]2C)(NF)(H)2	N(CC[4]HH)(F)	H(CC[4]HN)	107.0050	5.832	2	107.0050	34.015	2	107.0050	34.015	2	106.3955	234.463	25	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CC3)(NC)(H)2	N(CCHH)(CRh)	H(CCHN)	C(CC3)(NC)(H)2	N(CCHH)(CRh)	H(CCHN)	109.1063	0.319	24	109.1063	0.101	24	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CB)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CB)	H(CCHN)	109.9865	0.093	4	109.9865	0.009	4	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CPd)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CPd)	H(CCHN)	109.5860	0.027	2	109.5860	0.001	2	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CRe)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CRe)	H(CCHN)	109.0610	0.016	2	109.0610	0.000	2	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CSe)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CSe)	H(CCHN)	109.5390	0.166	4	109.5390	0.028	4	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CCHN)(NC)(H)2	N(CCHH)(CS)	H(CCHN)	C(CCHN)(NC)(H)2	N(CCHH)(CS)	H(CCHN)	109.3027	0.115	13	109.3027	0.013	13	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CH3)(NC)(H)2	N(CCHH)(CRh)	H(CCHN)	C(CH3)(NC)(H)2	N(CCHH)(CRh)	H(CCHN)	109.3460	0.052	2	109.3460	0.003	2	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CH3)(NC)(H)2	N(CCHH)(CRu)	H(CCHN)	C(CH3)(NC)(H)2	N(CCHH)(CRu)	H(CCHN)	109.1020	0.072	3	109.1020	0.005	3	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CMo)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CMo)	H(CCHN)	109.5943	0.195	4	109.5943	0.038	4	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CRu)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CRu)	H(CCHN)	109.4160	0.000	1	109.4160	0.000	1	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CS)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CS)	H(CCHN)	109.2265	0.016	2	109.2265	0.000	2	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(CN[6a]HH)(NC)(H)2	N(CCHH)(CS)	H(CCHN)	C(CN[6a]HH)(NC)(H)2	N(CCHH)(CS)	H(CCHN)	108.9513	0.078	3	108.9513	0.006	3	109.2810	0.109	64	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CCCN)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CCCN)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.8351	0.466	24	109.8351	0.218	24	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CCHH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CCHH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.6476	0.500	29	109.6476	0.250	29	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CCHN)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CCHN)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.6089	0.221	8	109.6089	0.049	8	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[5,6]HH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CC[5,6]HH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	110.2645	0.023	2	110.2645	0.001	2	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[5]HH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CC[5]HH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.0290	0.013	2	109.0290	0.000	2	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[6]BrC)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CC[6]BrC)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.6750	0.008	2	109.6750	0.000	2	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[6]HH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CC[6]HH)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	110.0617	0.921	6	110.0617	0.849	6	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[6a]CN)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CC[6a]CN)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.7615	0.087	2	109.7615	0.008	2	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[6a]CO)(NN)(H)2	N(CCHH)(NC)	H(CCHN)	C(CC[6a]CO)(NN)(H)2	N(CCHH)(NC)	H(CCHN)	109.5675	0.015	2	109.5675	0.000	2	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[6a]CO)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CC[6a]CO)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	107.6565	4.922	2	107.6565	24.228	2	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CHHN)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CHHN)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.3974	0.951	31	109.3974	0.904	31	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(CHHO)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	C(CHHO)(NN)(H)2	N(CCHH)(NN)	H(CCHN)	109.0601	0.949	26	109.0601	0.901	26	109.4989	0.813	136	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[5]-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5]C[5,5]O[5]H)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	C(C[5]C[5,5]O[5]H)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	108.0695	5.488	2	108.0695	30.117	2	109.2918	2.085	34	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[5]-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	109.6170	0.411	4	109.6170	0.169	4	109.2918	2.085	34	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[5]-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5]C[5]2Cl)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	C(C[5]C[5]2Cl)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	110.5095	0.028	2	110.5095	0.001	2	109.2918	2.085	34	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[5]-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5]C[5]2H)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	C(C[5]C[5]2H)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	109.9799	0.127	8	109.9799	0.016	8	109.2918	2.085	34	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[5]-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5]C[5]N[5]H)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	109.2245	0.218	2	109.2245	0.048	2	109.2918	2.085	34	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[5]-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5]C[5]O[5]H)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NN)(H)2	N(CC[5]HH)(NN)	H(CC[5]HN)	108.8755	1.293	16	108.8755	1.673	16	109.2918	2.085	34	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[6]-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[6]C[6]O[6]H)(NC)(H)2	N(CC[6]HH)(CN)	H(CC[6]HN)	C(C[6]C[6]O[6]H)(NC)(H)2	N(CC[6]HH)(CN)	H(CC[6]HN)	109.5826	0.092	7	109.5826	0.009	7	109.5826	0.009	7	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[6]-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6]C[5,6]C[6]H)(NN)(H)2	N(CC[6]HH)(NN)	H(CC[6]HN)	C(C[6]C[5,6]C[6]H)(NN)(H)2	N(CC[6]HH)(NN)	H(CC[6]HN)	109.1655	1.964	4	109.1655	3.858	4	109.0445	2.097	15	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[6]-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6]C[6]2C)(NN)(H)2	N(CC[6]HH)(NN)	H(CC[6]HN)	C(C[6]C[6]2C)(NN)(H)2	N(CC[6]HH)(NN)	H(CC[6]HN)	110.0655	0.029	2	110.0655	0.001	2	109.0445	2.097	15	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	C[6]-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6]C[6]O[6]H)(NN)(H)2	N(CC[6]HH)(NN)	H(CC[6]HN)	C(C[6]C[6]O[6]H)(NN)(H)2	N(CC[6]HH)(NN)	H(CC[6]HN)	108.7639	1.366	9	108.7639	1.866	9	109.0445	2.097	15	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	S-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CCr)	H(CHNS)	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CCr)	H(CHNS)	109.5870	0.013	2	109.5870	0.000	2	109.5730	0.000	4	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	S-4:N-2:H-1:H-1:	C-4:C-2:	C-4:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CFe)	H(CHNS)	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CFe)	H(CHNS)	109.5590	0.011	2	109.5590	0.000	2	109.5730	0.000	4	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:2:	4:	Si-4:N-2:H-1:H-1:	C-4:N-2:	C-4:	C(SiC3)(NN)(H)2	N(CSiHH)(NW)	H(CSiHN)	C(SiC3)(NN)(H)2	N(CSiHH)(NW)	H(CSiHN)	109.5180	0.035	2	109.5180	0.001	2	109.5180	0.001	2	109.3963	0.842	262	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CCC)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CCC)	H(CCHN)	109.2235	0.070	4	109.2235	0.005	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CCN)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CCN)	H(CCHN)	107.6570	0.024	2	107.6570	0.001	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	108.8077	0.046	4	108.8077	0.002	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CFeN)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CFeN)	H(CCHN)	108.3870	0.000	1	108.3870	0.000	1	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CNN)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CNN)	H(CCHN)	107.2556	6.352	4	107.2556	40.350	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CNO)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CNO)	H(CCHN)	110.1483	1.797	6	110.1483	3.229	6	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(COO)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(COO)	H(CCHN)	109.0135	0.339	6	109.0135	0.115	6	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)(CSS)	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)(CSS)	H(CCHN)	110.0020	0.000	1	110.0020	0.000	1	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHN)(NC)(H)2	N(CCHH)(CNO)	H(CCHN)	C(CCHN)(NC)(H)2	N(CCHH)(CNO)	H(CCHN)	109.0706	0.163	8	109.0706	0.027	8	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHO)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	C(CCHO)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	109.1557	0.013	6	109.1557	0.000	6	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5a]HH)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	C(CC[5a]HH)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	108.7540	0.040	2	108.7540	0.002	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(NC)(H)2	N(CCHH)(CCC)	H(CCHN)	C(CC[6a]HH)(NC)(H)2	N(CCHH)(CCC)	H(CCHN)	110.2015	0.986	2	110.2015	0.973	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	C(CC[6a]HH)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	109.2860	0.219	4	109.2860	0.048	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(NC)(H)2	N(CCHH)(CHO)	H(CCHN)	C(CC[6a]HH)(NC)(H)2	N(CCHH)(CHO)	H(CCHN)	108.1290	1.090	2	108.1290	1.189	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(NC)(H)2	N(CCHH)(CNN)	H(CCHN)	C(CC[6a]HH)(NC)(H)2	N(CCHH)(CNN)	H(CCHN)	109.4360	0.023	2	109.4360	0.001	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CClHH)(NC)(H)2	N(CCHH)(COP)	H(CCHN)	C(CClHH)(NC)(H)2	N(CCHH)(COP)	H(CCHN)	107.7235	0.209	2	107.7235	0.044	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(NC)(H)2	N(CCHH)(CCN)	H(CCHN)	C(CH3)(NC)(H)2	N(CCHH)(CCN)	H(CCHN)	109.8547	0.052	4	109.8547	0.003	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	C(CH3)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	109.3342	0.238	4	109.3342	0.057	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(NC)(H)2	N(CCHH)(CHO)	H(CCHN)	C(CH3)(NC)(H)2	N(CCHH)(CHO)	H(CCHN)	109.2540	0.030	2	109.2540	0.001	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(NC)(H)2	N(CCHH)(CNS)	H(CCHN)	C(CH3)(NC)(H)2	N(CCHH)(CNS)	H(CCHN)	109.0684	1.664	22	109.0684	2.770	22	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(NC)(H)2	N(CCHH)(CPS)	H(CCHN)	C(CH3)(NC)(H)2	N(CCHH)(CPS)	H(CCHN)	109.1815	0.374	4	109.1815	0.140	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CCC)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CCC)	H(CCHN)	110.0045	1.454	12	110.0045	2.113	12	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CCH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CCH)	H(CCHN)	109.6963	0.160	18	109.6963	0.026	18	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	108.1708	1.358	10	108.1708	1.844	10	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CNN)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CNN)	H(CCHN)	109.7315	0.028	2	109.7315	0.001	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CNO)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CNO)	H(CCHN)	109.4218	0.100	4	109.4218	0.010	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CNS)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CNS)	H(CCHN)	109.2455	0.266	4	109.2455	0.071	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHO)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	C(CHHO)(NC)(H)2	N(CCHH)(CCO)	H(CCHN)	108.8803	1.062	4	108.8803	1.128	4	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHS)(NC)(H)2	N(CCHH)(CNN)	H(CCHN)	C(CHHS)(NC)(H)2	N(CCHH)(CNN)	H(CCHN)	109.4640	0.007	2	109.4640	0.000	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHS)(NC)(H)2	N(CCHH)(CNS)	H(CCHN)	C(CHHS)(NC)(H)2	N(CCHH)(CNS)	H(CCHN)	108.7760	0.033	2	108.7760	0.001	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN3)(NC)(H)2	N(CCHH)(CCH)	H(CCHN)	C(CN3)(NC)(H)2	N(CCHH)(CCH)	H(CCHN)	110.6810	0.008	2	110.6810	0.000	2	109.1989	2.058	152	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:	C-4:	C(CC[6a]OP)(NN)(H)2	N(CCHH)(NCO)	H(CCHN)	C(CC[6a]OP)(NN)(H)2	N(CCHH)(NCO)	H(CCHN)	109.8795	0.096	4	109.8795	0.009	4	110.3550	0.983	9	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:	C-4:	C(CHHN)(NN)(H)2	N(CCHH)(NOO)	H(CCHN)	C(CHHN)(NN)(H)2	N(CCHH)(NOO)	H(CCHN)	110.7354	1.245	5	110.7354	1.551	5	110.3550	0.983	9	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C[5]-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Co)(NC)(H)2	N(CC[5]HH)(CC[6a]O)	H(CC[5]HN)	C(C[5]C[5]2Co)(NC)(H)2	N(CC[5]HH)(CC[6a]O)	H(CC[5]HN)	109.0135	0.016	2	109.0135	0.000	2	109.5110	3.143	11	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C[5]-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Fe)(NC)(H)2	N(CC[5]HH)(CC[5]H)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC)(H)2	N(CC[5]HH)(CC[5]H)	H(CC[5]HN)	108.5395	0.009	2	108.5395	0.000	2	109.5110	3.143	11	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C[5]-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(NC)(H)2	N(CC[5]HH)(CC[5a]H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NC)(H)2	N(CC[5]HH)(CC[5a]H)	H(CC[5]HN)	109.2853	0.413	3	109.2853	0.170	3	109.5110	3.143	11	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C[5]-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(NC)(H)2	N(CC[5]HH)(CC[6a]H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NC)(H)2	N(CC[5]HH)(CC[6a]H)	H(CC[5]HN)	110.4147	2.903	4	110.4147	8.430	4	109.5110	3.143	11	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C[6]-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]C)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	C(C[6]C[6,6]C[6]C)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	109.2444	0.215	12	109.2444	0.046	12	109.0507	1.752	28	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C[6]-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	C(C[6]C[6]2C)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	108.6955	3.003	6	108.6955	9.018	6	109.0507	1.752	28	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C[6]-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	C(C[6]C[6]2H)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	109.1235	0.101	6	109.1235	0.010	6	109.0507	1.752	28	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	C[6]-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2O)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	C(C[6]C[6]2O)(NC)(H)2	N(CC[6]HH)(CC[6a]H)	H(CC[6]HN)	108.8935	0.320	4	108.8935	0.103	4	109.0507	1.752	28	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	S-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CCO)	H(CHNS)	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CCO)	H(CHNS)	109.0261	0.469	7	109.0261	0.220	7	109.4229	0.451	11	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	S-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(COsC)	H(CHNS)	C(SC[6a]OO)(NC)(H)2	N(CHHS)(COsC)	H(CHNS)	110.3160	0.071	2	110.3160	0.005	2	109.4229	0.451	11	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:3:	4:	S-4:N-2:H-1:H-1:	C-4:C-3:	C-4:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CSS)	H(CHNS)	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CSS)	H(CHNS)	109.9185	0.006	2	109.9185	0.000	2	109.4229	0.451	11	109.2565	1.978	211	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(NC)(H)2	N(CCHH)2	H(CCHN)	C(CCHH)(NC)(H)2	N(CCHH)2	H(CCHN)	109.6697	1.254	15	109.6697	1.573	15	109.0837	2.048	77	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(NC)(H)2	N(CCHH)2	H(CCHN)	C(CH3)(NC)(H)2	N(CCHH)2	H(CCHN)	107.6457	2.245	15	107.6457	5.041	15	109.0837	2.048	77	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CCCH)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCCH)(CCHH)	H(CCHN)	108.7345	3.381	2	108.7345	11.429	2	109.0837	2.048	77	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)(CH3)	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)(CH3)	H(CCHN)	109.8945	1.899	2	109.8945	3.605	2	109.0837	2.048	77	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CCHH)2	H(CCHN)	C(CHHN)(NC)(H)2	N(CCHH)2	H(CCHN)	109.3539	0.382	33	109.3539	0.146	33	109.0837	2.048	77	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CCHN)	C(CHHN)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CCHN)	109.5410	0.027	2	109.5410	0.001	2	109.0837	2.048	77	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(NC)(H)2	N(CCHH)2	H(CCHN)	C(CHHO)(NC)(H)2	N(CCHH)2	H(CCHN)	108.8878	0.265	4	108.8878	0.070	4	109.0837	2.048	77	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CCHN)	C(CHHO)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CCHN)	109.4430	0.024	2	109.4430	0.001	2	109.0837	2.048	77	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHS)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CCHN)	C(CHHS)(NC)(H)2	N(CC[6a]HH)(CCHH)	H(CCHN)	110.1305	0.028	2	110.1305	0.001	2	109.0837	2.048	77	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCCH)(NS)(H)2	N(CCHH)(SNOO)	H(CCHN)	C(CCCH)(NS)(H)2	N(CCHH)(SNOO)	H(CCHN)	109.1130	0.021	2	109.1130	0.000	2	109.3038	0.050	4	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC[5]HH)(NS)(H)2	N(CCHH)(SCOO)	H(CCHN)	C(CC[5]HH)(NS)(H)2	N(CCHH)(SCOO)	H(CCHN)	109.4945	0.073	2	109.4945	0.005	2	109.3038	0.050	4	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CN[6]HH)(NC[6])(H)2	N(C[6]C[6]2H)(CCHH)	H(CCHN)	C(CN[6]HH)(NC[6])(H)2	N(C[6]C[6]2H)(CCHH)	H(CCHN)	109.3010	0.010	2	109.3010	0.000	2	109.3010	0.000	2	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(NP)(H)2	N(PC[6a]2Fe)(CCHH)	H(CCHN)	C(CCHH)(NP)(H)2	N(PC[6a]2Fe)(CCHH)	H(CCHN)	109.1925	0.033	2	109.1925	0.001	2	109.6001	1.721	14	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHN)(NP)(H)2	N(PC[6a]3)(CCHH)	H(CCHN)	C(CCHN)(NP)(H)2	N(PC[6a]3)(CCHH)	H(CCHN)	109.5373	1.277	4	109.5373	1.631	4	109.6001	1.721	14	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	P-4:C-4:	C-4:	C(CC[6a]HN)(NP)(H)2	N(PC[6a]3)(CCHH)	H(CCHN)	C(CC[6a]HN)(NP)(H)2	N(PC[6a]3)(CCHH)	H(CCHN)	111.7920	1.445	2	111.7920	2.089	2	109.6001	1.721	14	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHN)(NP)(H)2	N(PC[3x6]2Os)(CCHH)	H(CCHN)	C(CHHN)(NP)(H)2	N(PC[3x6]2Os)(CCHH)	H(CCHN)	109.1160	0.064	2	109.1160	0.004	2	109.6001	1.721	14	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHN)(NP)(H)2	N(PC[6a]SS)(CCHH)	H(CCHN)	C(CHHN)(NP)(H)2	N(PC[6a]SS)(CCHH)	H(CCHN)	109.9245	0.514	2	109.9245	0.264	2	109.6001	1.721	14	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHN)(NP)(H)2	N(POsCC)(CCHH)	H(CCHN)	C(CHHN)(NP)(H)2	N(POsCC)(CCHH)	H(CCHN)	108.1015	0.023	2	108.1015	0.001	2	109.6001	1.721	14	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCCH)(NS)(H)2	N(SC[6a]OO)(CCHH)	H(CCHN)	C(CCCH)(NS)(H)2	N(SC[6a]OO)(CCHH)	H(CCHN)	109.1727	0.275	3	109.1727	0.076	3	109.3011	0.302	10	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[5]HH)(NS)(H)2	N(SC[6a]OO)(CCHH)	H(CCHN)	C(CC[5]HH)(NS)(H)2	N(SC[6a]OO)(CCHH)	H(CCHN)	109.4240	0.000	1	109.4240	0.000	1	109.3011	0.302	10	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C-4:N-2:H-1:H-1:	S-4:C-4:	C-4:	C(CHHN)(NS)(H)2	N(SC[6a]OO)(CCHH)	H(CCHN)	C(CHHN)(NS)(H)2	N(SC[6a]OO)(CCHH)	H(CCHN)	109.3448	0.706	6	109.3448	0.498	6	109.3011	0.302	10	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C[3]-4:N-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[3]C[3]2H)(NS)(H)2	N(SC[6a]OO)(CC[3]HH)	H(CC[3]HN)	C(C[3]C[3]2H)(NS)(H)2	N(SC[6a]OO)(CC[3]HH)	H(CC[3]HN)	109.2060	0.025	2	109.2060	0.001	2	109.2060	0.001	2	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(NC)(H)2	N(CC[5,5,6]HH)(CC[6a]CH)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,5]C[5,6]2)(NC)(H)2	N(CC[5,5,6]HH)(CC[6a]CH)	H(CC[5,5,6]HN)	108.8630	1.356	2	108.8630	1.839	2	108.8630	1.839	2	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C[5]-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(NC)(H)2	N(CC[5]HH)(CC3)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC)(H)2	N(CC[5]HH)(CC3)	H(CC[5]HN)	109.3010	0.041	2	109.3010	0.002	2	109.3010	0.002	2	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	C[5]-4:N-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(NS)(H)2	N(SC[6a]OO)(CC[5]HH)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NS)(H)2	N(SC[6a]OO)(CC[5]HH)	H(CC[5]HN)	109.7050	0.049	2	109.7050	0.002	2	109.7050	0.002	2	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:1:1:	4:4:	4:	P-4:N-2:H-1:H-1:	C-4:C-4:	C-4:	C(PC[6a]NiC)(NC)(H)2	N(CHHP)2	H(CHNP)	C(PC[6a]NiC)(NC)(H)2	N(CHHP)2	H(CHNP)	109.5433	0.240	4	109.5433	0.058	4	109.5433	0.058	4	109.2017	1.590	119	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:2:1:	3:4:	4:	C-4:C-2:N-2:H-1:	C-3:C-4:	C-4:	C(CC3)(CN)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CC3)(CN)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	108.8130	0.221	2	108.8130	0.049	2	108.8130	0.049	2	108.8130	0.049	2	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:2:1:	4:2:	4:	C-4:C-2:N-2:H-1:	C-4:N-2:	C-4:	C(CC[6a]HN)(CC[6a])(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CC[6a]HN)(CC[6a])(NN)(H)	N(CCCH)(NN)	H(CCCN)	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:2:1:	4:3:	4:	C-4:C-2:N-2:H-1:	C-4:S-3:	C-4:	C(CC3)(CC)(NS)(H)	N(CCCH)(SCO)	H(CCCN)	C(CC3)(CC)(NS)(H)	N(CCCH)(SCO)	H(CCCN)	107.3020	0.000	1	107.3020	0.000	1	107.6400	0.228	2	108.4368	1.017	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:2:1:	4:3:	4:	C-4:C-2:N-2:H-1:	C-4:S-3:	C-4:	C(CCCH)(CC)(NS)(H)	N(CCCH)(SCO)	H(CCCN)	C(CCCH)(CC)(NS)(H)	N(CCCH)(SCO)	H(CCCN)	107.9780	0.000	1	107.9780	0.000	1	107.6400	0.228	2	108.4368	1.017	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:2:1:	4:3:	4:	C-4:N-2:O-2:H-1:	C-4:C-3:	C-4:	C(CCl3)(NC)(OH)(H)	N(CCHO)(CHO)	H(CCNO)	C(CCl3)(NC)(OH)(H)	N(CCHO)(CHO)	H(CCNO)	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	108.4368	1.017	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:2:1:	4:3:	4:	C[3x6]-4:C-2:N-2:H-1:	C-4:C-3:	C-4:	C(C[3x6]C[6,6]3)(CN)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(CN)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	H(CC[3x6]CN)	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.4368	1.017	4	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:3:1:	3:4:	4:	C-4:N-2:C-3:H-1:	C[5]-3:C-4:	C-4:	C(CC[6a]HH)(NC[5])(CNO)(H)	N(C[5]C[5]O[5])(CCCH)	H(CCCN)	C(CC[6a]HH)(NC[5])(CNO)(H)	N(C[5]C[5]O[5])(CCCH)	H(CCCN)	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:3:1:	4:4:	4:	C-4:N-2:C-3:H-1:	P[5]-4:C-4:	C-4:	C(CC[5]HH)(NP[5])(COO)(H)	N(P[5]O[5]S[5]S)(CCCH)	H(CCCN)	C(CC[5]HH)(NP[5])(COO)(H)	N(P[5]O[5]S[5]S)(CCCH)	H(CCCN)	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:4:1:	3:4:	4:	C-4:N-2:C-4:H-1:	C[5]-3:C-4:	C-4:	C(CC[6a]CH)(NC[5])(CF3)(H)	N(C[5]C[5,6a]C[5])(CCCH)	H(CCCN)	C(CC[6a]CH)(NC[5])(CF3)(H)	N(C[5]C[5,6a]C[5])(CCCH)	H(CCCN)	109.3075	0.934	2	109.3075	0.873	2	109.3967	0.460	3	108.4222	1.483	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:4:1:	3:4:	4:	C-4:N-2:C-4:H-1:	C[5]-3:C-4:	C-4:	C(CC[6a]HH)(NC[5])(CHHO)(H)	N(C[5]N[5]2)(CCCH)	H(CCCN)	C(CC[6a]HH)(NC[5])(CHHO)(H)	N(C[5]N[5]2)(CCCH)	H(CCCN)	109.5750	0.000	1	109.5750	0.000	1	109.3967	0.460	3	108.4222	1.483	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:4:1:	3:4:	4:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6]HH)(NC[6a])(CH3)(H)	N(C[6a]C[5a,6a]N[6a])(CCCH)	H(CCCN)	C(CC[6]HH)(NC[6a])(CH3)(H)	N(C[6a]C[5a,6a]N[6a])(CCCH)	H(CCCN)	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	108.4222	1.483	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:2:4:1:	3:4:	4:	C[6]-4:N-2:C-4:H-1:	C[6]-3:C-4:	C-4:	C(C[6]C[6]2H)(NC[6])(CH3)(H)	N(C[6]N[6]2)(CC[6]CH)	H(CC[6]CN)	C(C[6]C[6]2H)(NC[6])(CH3)(H)	N(C[6]N[6]2)(CC[6]CH)	H(CC[6]CN)	107.0900	0.173	2	107.0900	0.030	2	107.0900	0.030	2	108.4222	1.483	6	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC3)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CC3)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	107.4490	0.000	1	107.4490	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CNO)(NC)(H)	N(CC[5]O)(CCCH)	H(CCCN)	C(CCCH)(CNO)(NC)(H)	N(CC[5]O)(CCCH)	H(CCCN)	106.9240	0.000	1	106.9240	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CNO)(NC)(H)	N(CC[6a]C)(CCCH)	H(CCCN)	C(CCCH)(CNO)(NC)(H)	N(CC[6a]C)(CCCH)	H(CCCN)	109.7710	0.000	1	109.7710	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CNO)(NC)(H)	N(CC[6a]C)(CCCH)	H(CCCN)	C(CCHH)(CNO)(NC)(H)	N(CC[6a]C)(CCCH)	H(CCCN)	109.4260	0.000	1	109.4260	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CNO)(NC)(H)	N(CC[6a]O)(CCCH)	H(CCCN)	C(CCHH)(CNO)(NC)(H)	N(CC[6a]O)(CCCH)	H(CCCN)	108.6470	0.000	1	108.6470	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(COO)(NC)(H)	N(CC[6]H)(CCCH)	H(CCCN)	C(CCHH)(COO)(NC)(H)	N(CC[6]H)(CCCH)	H(CCCN)	109.1405	0.062	2	109.1405	0.004	2	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CCHH)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	109.4890	0.000	1	109.4890	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(COO)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CCHH)(COO)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	109.5523	0.181	3	109.5523	0.033	3	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC[5]CH)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CC[5]CH)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	108.6020	0.000	1	108.6020	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC[5a]CH)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CC[5a]CH)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	108.3690	0.000	1	108.3690	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC[5a]C[6a]H)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CC[5a]C[6a]H)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	108.6650	0.000	1	108.6650	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]2H)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CC[6a]2H)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	110.2510	0.000	1	110.2510	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(CNO)(NC)(H)	N(CC[5]O)(CCCH)	H(CCCN)	C(CC[6a]HH)(CNO)(NC)(H)	N(CC[5]O)(CCCH)	H(CCCN)	109.5440	0.000	1	109.5440	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(CNO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CC[6a]HH)(CNO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	109.1060	0.000	1	109.1060	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(COO)(NC)(H)	N(CC[5]H)(CCCH)	H(CCCN)	C(CC[6a]HH)(COO)(NC)(H)	N(CC[5]H)(CCCH)	H(CCCN)	108.7540	0.000	1	108.7540	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CC[6a]HH)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	110.6510	0.000	1	110.6510	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HN)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CC[6a]HN)(COO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	107.6702	1.629	6	107.6702	2.654	6	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)(CNO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CH3)(CNO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	109.9040	0.144	2	109.9040	0.021	2	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)(COO)(NC)(H)	N(CC[5]H)(CCCH)	H(CCCN)	C(CH3)(COO)(NC)(H)	N(CC[5]H)(CCCH)	H(CCCN)	109.9790	0.000	1	109.9790	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)(COO)(NC)(H)	N(CC[6a]O)(CCCH)	H(CCCN)	C(CH3)(COO)(NC)(H)	N(CC[6a]O)(CCCH)	H(CCCN)	107.4587	0.325	3	107.4587	0.106	3	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CHHO)(CNO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CHHO)(CNO)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	108.9280	0.000	1	108.9280	0.000	1	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	3:4:	4:	C-4:C-3:N-2:H-1:	C-3:C-4:	C-4:	C(CHHS)(COO)(NC)(H)	N(CC[6a]O)(CCCH)	H(CCCN)	C(CHHS)(COO)(NC)(H)	N(CC[6a]O)(CCCH)	H(CCCN)	108.2760	0.328	2	108.2760	0.108	2	108.7132	1.406	34	108.7132	1.406	34	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-1:	C-4:	C(CH3)(CNO)(NC)(H)	N(CCCH)(C)	H(CCCN)	C(CH3)(CNO)(NC)(H)	N(CCCH)(C)	H(CCCN)	108.2460	1.031	2	108.2460	1.063	2	108.2460	1.063	2	108.5447	0.799	3	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NH)(H)	N(CC[6a]C[5]H)(H)	H(CC[6a]C[5]N)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NH)(H)	N(CC[6a]C[5]H)(H)	H(CC[6a]C[5]N)	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	108.5447	0.799	3	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C-4:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(CCHH)(CCH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CCHH)(CCH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	108.2770	0.000	1	108.2770	0.000	1	107.5935	1.575	10	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C-4:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(CCHH)(CNO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CCHH)(CNO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	108.2820	0.000	1	108.2820	0.000	1	107.5935	1.575	10	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C-4:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(CCHO)(CCH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CCHO)(CCH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	107.2160	0.000	1	107.2160	0.000	1	107.5935	1.575	10	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C-4:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(CC[5]HO)(CNO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CC[5]HO)(CNO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	106.9520	0.074	2	106.9520	0.005	2	107.5935	1.575	10	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C-4:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(CC[6a]HH)(COO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CC[6a]HH)(COO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	106.5770	2.281	2	106.5770	5.204	2	107.5935	1.575	10	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C-4:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(CF3)(CCH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CF3)(CCH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	109.1540	0.000	1	109.1540	0.000	1	107.5935	1.575	10	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C-4:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(CH3)(CCN)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CH3)(CCN)(NN)(H)	N(CCCH)(NN)	H(CCCN)	109.0380	0.000	1	109.0380	0.000	1	107.5935	1.575	10	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C-4:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(CH3)(CNO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CH3)(CNO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	106.9100	0.000	1	106.9100	0.000	1	107.5935	1.575	10	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C[5]-4:C-3:N-2:H-1:	C-4:N-2:	C-4:	C(C[5]C[5]N[5]H)(COO)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	C(C[5]C[5]N[5]H)(COO)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:C-2:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C[5]H)(CS)	H(CC[6a]C[5]N)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C[5]H)(CS)	H(CC[6a]C[5]N)	101.4040	0.000	1	101.4040	0.000	1	101.4040	0.000	1	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:N-2:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	N(CC[6a]C[5]H)(NN)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	N(CC[6a]C[5]H)(NN)	H(CC[6a]C[5]N)	109.4260	0.933	2	109.4260	0.871	2	109.4260	0.871	2	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C[6]-4:C[6a]-3:N-2:H-1:	C-4:N-2:	C-4:	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	N(CC[6a]C[6]H)(NN)	H(CC[6a]C[6]N)	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	N(CC[6a]C[6]H)(NN)	H(CC[6a]C[6]N)	109.0310	0.000	1	109.0310	0.000	1	109.1270	0.018	2	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:2:	4:	C[6]-4:C[6a]-3:N-2:H-1:	C-4:N-2:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	N(CC[6a]C[6]H)(NN)	H(CC[6a]C[6]N)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	N(CC[6a]C[6]H)(NN)	H(CC[6a]C[6]N)	109.2230	0.000	1	109.2230	0.000	1	109.1270	0.018	2	107.7057	4.410	16	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CBrHH)(COO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CBrHH)(COO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	107.5920	0.000	1	107.5920	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CC3)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CC3)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	107.8480	0.000	1	107.8480	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CCH)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CCCH)(CCH)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	107.6190	0.000	1	107.6190	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CCCH)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	107.9130	0.000	1	107.9130	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(COO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CCCH)(COO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	108.1030	0.917	4	108.1030	0.841	4	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CCCO)(COO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CCCO)(COO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	108.1260	0.000	1	108.1260	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CNO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CCHH)(CNO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	107.6060	0.000	1	107.6060	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(COO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CC[5]HH)(COO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	109.1250	0.000	1	109.1250	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CC[6a]HH)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	107.6010	1.131	3	107.6010	1.279	3	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(CNO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CC[6a]HH)(CNO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	115.3830	0.000	1	115.3830	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(CN[5]O)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CC[6a]HH)(CN[5]O)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	109.8620	0.000	1	109.8620	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(COO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CC[6a]HH)(COO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	108.9730	0.000	1	108.9730	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(COO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CC[6a]HH)(COO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	107.6980	0.967	2	107.6980	0.936	2	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)(CHH)(NC)(H)	N(CCCH)(CNS)	H(CCCN)	C(CH3)(CHH)(NC)(H)	N(CCCH)(CNS)	H(CCCN)	106.6900	0.000	1	106.6900	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CH3)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	108.2880	0.000	1	108.2880	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)(CNO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CH3)(CNO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	107.7780	0.000	1	107.7780	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)(COO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CH3)(COO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	108.1290	0.081	2	108.1290	0.006	2	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)(COO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CH3)(COO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	109.5950	0.000	1	109.5950	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CHHO)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CHHO)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	107.7670	0.000	1	107.7670	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(CHHS)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CHHS)(CNO)(NC)(H)	N(CCCH)(CCO)	H(CCCN)	109.4360	0.000	1	109.4360	0.000	1	108.3878	2.689	27	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C[3]-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]N[3]H)(COO)(NC)(H)	N(CC[3]CH)(CC[6a]2)	H(CC[3]CN)	C(C[3]C[3]N[3]H)(COO)(NC)(H)	N(CC[3]CH)(CC[6a]2)	H(CC[3]CN)	110.5900	1.063	5	110.5900	1.130	5	110.5900	1.130	5	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	N(CC[5]CH)(CC[6a]2)	H(CC[5]CN)	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	N(CC[5]CH)(CC[6a]2)	H(CC[5]CN)	109.4025	1.057	2	109.4025	1.118	2	109.4025	1.118	2	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C[5]H)(CC[6a]2)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C[5]H)(CC[6a]2)	H(CC[6a]C[5]N)	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:S-3:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	N(CC[6a]C[5]H)(SCO)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	N(CC[6a]C[5]H)(SCO)	H(CC[6a]C[5]N)	106.4300	0.000	1	106.4300	0.000	1	107.0200	0.354	3	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:S-3:	C-4:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	N(CC[6a]C[5]H)(SCO)	H(CC[6a]C[5]N)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	N(CC[6a]C[5]H)(SCO)	H(CC[6a]C[5]N)	107.3150	0.431	2	107.3150	0.186	2	107.0200	0.354	3	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6a]-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6,6]C[6a]H)(CC[6a]H)	H(CC[6,6]C[6a]N)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6,6]C[6a]H)(CC[6a]H)	H(CC[6,6]C[6a]N)	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C[6]-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	N(CC[6]CH)(CCO)	H(CC[6]CN)	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	N(CC[6]CH)(CCO)	H(CC[6]CN)	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:N-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C[6]H)(CC[6a]2)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C[6]H)(CC[6a]2)	H(CC[6a]C[6]N)	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:3:	4:	P-4:C-3:N-2:H-1:	C-4:C-3:	C-4:	C(PC[6a]2O)(CCC)(NC)(H)	N(CCHP)(COO)	H(CCNP)	C(PC[6a]2O)(CCC)(NC)(H)	N(CCHP)(COO)	H(CCNP)	108.0250	0.000	1	108.0250	0.000	1	108.0250	0.000	1	108.6631	2.666	42	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CHH)(NC)(H)	N(CCCH)(CCHH)	H(CCCN)	C(CCHH)(CHH)(NC)(H)	N(CCCH)(CCHH)	H(CCCN)	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	C-4:P-4:	C-4:	C(CH3)(COO)(NP)(H)	N(CCCH)(PO3)	H(CCCN)	C(CH3)(COO)(NP)(H)	N(CCCH)(PO3)	H(CCCN)	109.0587	0.408	3	109.0587	0.166	3	109.0587	0.166	3	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	P-4:C-4:	C-4:	C(CCHH)(COO)(NP)(H)	N(PRhOO)(CCCH)	H(CCCN)	C(CCHH)(COO)(NP)(H)	N(PRhOO)(CCCH)	H(CCCN)	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	S-4:C-4:	C-4:	C(CCCH)(CNO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CCCH)(CNO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	107.0795	0.193	2	107.0795	0.037	2	107.4149	8.967	8	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	S-4:C-4:	C-4:	C(CCHH)(COO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CCHH)(COO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	109.2070	0.000	1	109.2070	0.000	1	107.4149	8.967	8	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	S-4:C-4:	C-4:	C(CC[6a]2H)(COO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CC[6a]2H)(COO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	108.4700	0.000	1	108.4700	0.000	1	107.4149	8.967	8	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	S-4:C-4:	C-4:	C(CC[6a]ClH)(CN[5]O)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CC[6a]ClH)(CN[5]O)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	110.0300	0.000	1	110.0300	0.000	1	107.4149	8.967	8	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	S-4:C-4:	C-4:	C(CC[6a]HH)(COO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CC[6a]HH)(COO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	108.5530	0.000	1	108.5530	0.000	1	107.4149	8.967	8	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	S-4:C-4:	C-4:	C(CH3)(CNO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CH3)(CNO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	100.4210	0.000	1	100.4210	0.000	1	107.4149	8.967	8	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C-3:N-2:H-1:	S-4:C-4:	C-4:	C(CHHO)(COO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CHHO)(COO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	108.4790	0.000	1	108.4790	0.000	1	107.4149	8.967	8	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C-4:C[6a]-3:N-2:H-1:	C-4:P-4:	C-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	N(CC[6a]CH)(PN3)	H(CC[6a]CN)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	N(CC[6a]CH)(PN3)	H(CC[6a]CN)	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C[4]-4:C-3:N-2:H-1:	S-4:C-4:	C-4:	C(C[4]C[4]2N)(CCH)(NS)(H)	N(SC[6a]OO)(CC[4]CH)	H(CC[4]CN)	C(C[4]C[4]2N)(CCH)(NS)(H)	N(SC[6a]OO)(CC[4]CH)	H(CC[4]CN)	106.5640	0.000	1	106.5640	0.000	1	106.5640	0.000	1	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:S-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	N(CC[6a]C[5]H)(SCOO)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	N(CC[6a]C[5]H)(SCOO)	H(CC[6a]C[5]N)	105.9500	0.000	1	105.9500	0.000	1	105.9500	0.000	1	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:N-2:H-1:	C-4:S-4:	C-4:	C(C[6]C[6]2H)(CCH)(NS)(H)	N(CC[6]CH)(SCOO)	H(CC[6]CN)	C(C[6]C[6]2H)(CCH)(NS)(H)	N(CC[6]CH)(SCOO)	H(CC[6]CN)	109.1040	1.486	2	109.1040	2.209	2	109.1040	2.209	2	107.8304	4.852	18	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	2:4:	4:	C-4:C-4:N-2:H-1:	N-2:C-4:	C-4:	C(CC[6a]HH)(CCHH)(NN)(H)	N(NC[6a])(CCCH)	H(CCCN)	C(CC[6a]HH)(CCHH)(NN)(H)	N(NC[6a])(CCCH)	H(CCCN)	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CC3)(CH3)(NC)(H)	N(CC[6a]C)(CCCH)	H(CCCN)	C(CC3)(CH3)(NC)(H)	N(CC[6a]C)(CCCH)	H(CCCN)	108.5280	0.000	1	108.5280	0.000	1	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CC3)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CC3)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	108.1743	0.500	4	108.1743	0.250	4	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CCCH)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	109.2260	0.433	2	109.2260	0.187	2	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CHHO)(NC)(H)	N(CC[6a]C)(CCCH)	H(CCCN)	C(CCCH)(CHHO)(NC)(H)	N(CC[6a]C)(CCCH)	H(CCCN)	108.8920	0.213	4	108.8920	0.046	4	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CHHO)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CCCH)(CHHO)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	108.4265	0.077	4	108.4265	0.006	4	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CHHO)(NC)(H)	N(CC[6a]N[6])(CCCH)	H(CCCN)	C(CCCH)(CHHO)(NC)(H)	N(CC[6a]N[6])(CCCH)	H(CCCN)	109.5493	0.166	3	109.5493	0.028	3	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CH3)(NC)(H)	N(CC[6]O)(CCCH)	H(CCCN)	C(CCHH)(CH3)(NC)(H)	N(CC[6]O)(CCCH)	H(CCCN)	109.3060	0.000	1	109.3060	0.000	1	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CHHO)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CCHH)(CHHO)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	109.5735	0.206	2	109.5735	0.042	2	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]2O)(CCCH)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CC[6a]2O)(CCCH)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	109.1050	0.000	1	109.1050	0.000	1	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	109.5290	0.252	3	109.5290	0.064	3	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HN)(CH3)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CC[6a]HN)(CH3)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	110.2700	0.089	2	110.2700	0.008	2	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HN)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CC[6a]HN)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	108.7160	0.355	2	108.7160	0.126	2	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HO)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CC[6a]HO)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	108.9030	0.000	2	108.9030	0.000	2	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(NC)(H)	N(CC[3x3,4,3x5,14x6]N)(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CC[3x3,4,3x5,14x6]N)(CCCH)	H(CCCN)	109.9540	0.000	1	109.9540	0.000	1	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(NC)(H)	N(CC[5x3,5x5,20x6]N)(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CC[5x3,5x5,20x6]N)(CCCH)	H(CCCN)	109.7827	0.583	3	109.7827	0.339	3	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(NC)(H)	N(CC[6]C)(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CC[6]C)(CCCH)	H(CCCN)	110.2790	0.000	1	110.2790	0.000	1	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	108.8523	0.437	3	108.8523	0.191	3	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(NC)(H)	N(CC[6a]N)(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CC[6a]N)(CCCH)	H(CCCN)	109.0271	0.836	18	109.0271	0.698	18	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(NC)(H)	N(CC[6a]N[6])(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CC[6a]N[6])(CCCH)	H(CCCN)	109.5470	0.000	1	109.5470	0.000	1	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(NC)(H)	N(CN[5a]N)(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CN[5a]N)(CCCH)	H(CCCN)	109.6200	0.375	7	109.6200	0.141	7	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CHHN)(CH3)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	C(CHHN)(CH3)(NC)(H)	N(CC[6a]2)(CCCH)	H(CCCN)	109.5640	0.000	1	109.5640	0.000	1	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CHHN)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CHHN)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	109.5523	0.336	3	109.5523	0.113	3	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CHHO)(CC3)(NC)(H)	N(CN[5]Pd)(CCCH)	H(CCCN)	C(CHHO)(CC3)(NC)(H)	N(CN[5]Pd)(CCCH)	H(CCCN)	107.4965	0.177	2	107.4965	0.032	2	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CHHO)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	C(CHHO)(CH3)(NC)(H)	N(CC[6a]H)(CCCH)	H(CCCN)	109.3425	0.441	2	109.3425	0.194	2	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:	C-4:	C(CHHO)(CHHS)(NC)(H)	N(CC[6a]O)(CCCH)	H(CCCN)	C(CHHO)(CHHS)(NC)(H)	N(CC[6a]O)(CCCH)	H(CCCN)	108.3120	0.000	1	108.3120	0.000	1	109.1249	0.531	74	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	S-3:C-4:	C-4:	C(CC[6a]CH)(CSiHH)(NS)(H)	N(SC[6a]O)(CCCH)	H(CCCN)	C(CC[6a]CH)(CSiHH)(NS)(H)	N(SC[6a]O)(CCCH)	H(CCCN)	106.3210	0.000	1	106.3210	0.000	1	106.9290	0.739	2	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	3:4:	4:	C-4:C-4:N-2:H-1:	S-3:C-4:	C-4:	C(CClCC)(CCHN)(NS)(H)	N(SC[6a]O)(CCCH)	H(CCCN)	C(CClCC)(CCHN)(NS)(H)	N(SC[6a]O)(CCCH)	H(CCCN)	107.5370	0.000	1	107.5370	0.000	1	106.9290	0.739	2	109.0671	0.652	76	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:	C-4:	C(CCHO)2(NH)(H)	N(CCCH)(H)	H(CCCN)	C(CCHO)2(NH)(H)	N(CCCH)(H)	H(CCCN)	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	106.1415	10.965	2	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C-4:N-2:H-1:	C-4:C-1:	C-4:	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	N(CC[3x6]CH)(C)	H(CC[3x6]CN)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	N(CC[3x6]CH)(C)	H(CC[3x6]CN)	103.8000	0.000	1	103.8000	0.000	1	103.8000	0.000	1	106.1415	10.965	2	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:C-2:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CFe)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CFe)	H(CCCN)	107.5820	0.000	1	107.5820	0.000	1	107.8599	0.833	8	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:C-2:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CPd)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CPd)	H(CCCN)	108.5935	0.029	2	108.5935	0.001	2	107.8599	0.833	8	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:C-2:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CPt)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CPt)	H(CCCN)	108.3730	0.359	2	108.3730	0.129	2	107.8599	0.833	8	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:C-2:	C-4:	C(CHHO)(CC3)(NC)(H)	N(CCCH)(CPd)	H(CCCN)	C(CHHO)(CC3)(NC)(H)	N(CCCH)(CPd)	H(CCCN)	107.1213	1.093	3	107.1213	1.194	3	107.8599	0.833	8	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CCCH)(CCHH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CCCH)(CCHH)(NN)(H)	N(CCCH)(NN)	H(CCCN)	109.1360	0.000	1	109.1360	0.000	1	108.9878	1.576	10	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CCHH)(CF3)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CCHH)(CF3)(NN)(H)	N(CCCH)(NN)	H(CCCN)	109.3400	0.000	1	109.3400	0.000	1	108.9878	1.576	10	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CCHN)(CCHO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CCHN)(CCHO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	110.2890	0.000	1	110.2890	0.000	1	108.9878	1.576	10	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CCHO)2(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CCHO)2(NN)(H)	N(CCCH)(NN)	H(CCCN)	109.5857	0.048	3	109.5857	0.002	3	108.9878	1.576	10	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CC[5]HO)(CCHN)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CC[5]HO)(CCHN)(NN)(H)	N(CCCH)(NN)	H(CCCN)	108.8790	0.000	1	108.8790	0.000	1	108.9878	1.576	10	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CC[6a]HH)(CC[6]HO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	N(CCCH)(NN)	H(CCCN)	106.7475	0.482	2	106.7475	0.232	2	108.9878	1.576	10	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(CH3)2(NN)(H)	N(CCCH)(NC)	H(CCCN)	C(CH3)2(NN)(H)	N(CCCH)(NC)	H(CCCN)	109.9820	0.000	1	109.9820	0.000	1	108.9878	1.576	10	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C[3]-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	N(CC[3]CH)(NN)	H(CC[3]CN)	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	N(CC[3]CH)(NN)	H(CC[3]CN)	106.8460	0.000	1	106.8460	0.000	1	106.8460	0.000	1	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C[4]-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	N(CC[4]CH)(NN)	H(CC[4]CN)	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	N(CC[4]CH)(NN)	H(CC[4]CN)	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C[5]-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	109.4020	0.000	1	109.4020	0.000	1	109.1288	0.483	12	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C[5]-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	108.8577	0.983	4	108.8577	0.966	4	109.1288	0.483	12	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C[5]-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	110.0690	0.000	1	110.0690	0.000	1	109.1288	0.483	12	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:2:	4:	C[5]-4:C-4:N-2:H-1:	C-4:N-2:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	N(CC[5]CH)(NN)	H(CC[5]CN)	109.1072	0.482	6	109.1072	0.232	6	109.1288	0.483	12	108.6364	1.275	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CCHO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CCCH)(CCHO)(NC)(H)	N(CCCH)(COO)	H(CCCN)	107.3490	0.000	1	107.3490	0.000	1	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CCCH)2(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CCCH)2(NC)(H)	N(CCCH)(COO)	H(CCCN)	107.5950	0.000	1	107.5950	0.000	1	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CHHN)(NC)(H)	N(CCCH)(CNO)	H(CCCN)	C(CCHH)(CHHN)(NC)(H)	N(CCCH)(CNO)	H(CCCN)	108.3420	0.000	1	108.3420	0.000	1	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HO)(CCHH)(NC)(H)	N(CCCH)(COO)	H(CCCN)	C(CC[5]HO)(CCHH)(NC)(H)	N(CCCH)(COO)	H(CCCN)	107.5980	0.000	1	107.5980	0.000	1	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]ClH)(CH3)(NC)(H)	N(CCCH)(CCH)	H(CCCN)	C(CC[6a]ClH)(CH3)(NC)(H)	N(CCCH)(CCH)	H(CCCN)	111.2070	1.438	2	111.2070	2.069	2	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(CHHN)(NC)(H)	N(CCCH)(CNO)	H(CCCN)	C(CC[6a]HH)(CHHN)(NC)(H)	N(CCCH)(CNO)	H(CCCN)	109.4040	0.000	1	109.4040	0.000	1	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CClHH)(CCHH)(NC)(H)	N(CCCH)(CCH)	H(CCCN)	C(CClHH)(CCHH)(NC)(H)	N(CCCH)(CCH)	H(CCCN)	110.2200	1.648	2	110.2200	2.714	2	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CCC)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CCC)	H(CCCN)	110.8090	2.973	2	110.8090	8.837	2	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CCH)	H(CCCN)	109.0460	0.000	1	109.0460	0.000	1	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CCN)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CCN)	H(CCCN)	109.1873	0.580	6	109.1873	0.337	6	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CCO)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CCO)	H(CCCN)	106.5780	1.940	2	106.5780	3.765	2	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CHN)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CHN)	H(CCCN)	108.4920	0.000	1	108.4920	0.000	1	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CNN)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CNN)	H(CCCN)	108.7868	0.619	6	108.7868	0.383	6	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CNO)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CNO)	H(CCCN)	108.6730	0.000	1	108.6730	0.000	1	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CNP)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CNP)	H(CCCN)	109.2431	0.514	15	109.2431	0.264	15	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CNS)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CNS)	H(CCCN)	107.4320	0.569	2	107.4320	0.323	2	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CNW)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CNW)	H(CCCN)	109.7250	0.000	2	109.7250	0.000	2	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CZrC)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CZrC)	H(CCCN)	109.5850	0.000	1	109.5850	0.000	1	109.0525	1.514	48	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:C-4:N-2:H-1:	C-4:S-3:	C-4:	C(CC[6a]2O)(CCHH)(NS)(H)	N(CCCH)(SCO)	H(CCCN)	C(CC[6a]2O)(CCHH)(NS)(H)	N(CCCH)(SCO)	H(CCCN)	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C-4:P-4:N-2:H-1:	C-4:C-3:	C-4:	C(CCl3)(PO3)(NC)(H)	N(CCHP)(CCO)	H(CCNP)	C(CCl3)(PO3)(NC)(H)	N(CCHP)(CCO)	H(CCNP)	106.8640	0.000	1	106.8640	0.000	1	106.8640	0.000	1	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	N(CC[3x6]CH)(CC[3]H)	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	N(CC[3x6]CH)(CC[3]H)	H(CC[3x6]CN)	107.4280	0.000	1	107.4280	0.000	1	107.7735	0.079	6	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	H(CC[3x6]CN)	107.8426	0.251	5	107.8426	0.063	5	107.7735	0.079	6	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:N-2:H-1:	C-4:S-3:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	N(CC[5]CH)(SCO)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	N(CC[5]CH)(SCO)	H(CC[5]CN)	107.9310	0.000	1	107.9310	0.000	1	108.6975	1.175	2	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:N-2:H-1:	C-4:S-3:	C-4:	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	N(CC[5]CH)(SCO)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	N(CC[5]CH)(SCO)	H(CC[5]CN)	109.4640	0.000	1	109.4640	0.000	1	108.6975	1.175	2	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C[5]-4:C[6]-4:N-2:H-1:	C-4:C[6]-3:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	N(CC[5]C[6]H)(C[6]C[6]2)	H(CC[5]C[6]N)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	N(CC[5]C[6]H)(C[6]C[6]2)	H(CC[5]C[6]N)	113.1540	0.000	1	113.1540	0.000	1	113.1540	0.000	1	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	N(CC[6]CH)(CC[6a]H)	H(CC[6]CN)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	N(CC[6]CH)(CC[6a]H)	H(CC[6]CN)	108.4795	0.040	2	108.4795	0.002	2	108.8792	0.194	5	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(CH3)(NC)(H)	N(CC[6]CH)(CC[6a]H)	H(CC[6]CN)	C(C[6]C[6]2H)(CH3)(NC)(H)	N(CC[6]CH)(CC[6a]H)	H(CC[6]CN)	109.0075	0.359	2	109.0075	0.129	2	108.8792	0.194	5	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:N-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	N(CC[6]CH)(CCO)	H(CC[6]CN)	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	N(CC[6]CH)(CCO)	H(CC[6]CN)	109.4220	0.000	1	109.4220	0.000	1	108.8792	0.194	5	108.9113	1.698	64	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(NC)(H)	N(CCCH)(CNNU)	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)(CNNU)	H(CCCN)	108.1130	0.000	1	108.1130	0.000	1	108.5361	0.520	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(NC)(H)	N(CCCH)2	H(CCCN)	C(CH3)2(NC)(H)	N(CCCH)2	H(CCCN)	108.5395	0.332	2	108.5395	0.110	2	108.5361	0.520	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(NC)(H)	N(CRuNN)(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CRuNN)(CCCH)	H(CCCN)	107.9400	0.000	1	107.9400	0.000	1	108.5361	0.520	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(NC)(H)	N(CThCO)(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CThCO)(CCCH)	H(CCCN)	109.3780	0.000	1	109.3780	0.000	1	108.5361	0.520	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(NC)(H)	N(CTiNN)(CCCH)	H(CCCN)	C(CH3)2(NC)(H)	N(CTiNN)(CCCH)	H(CCCN)	108.5930	1.067	3	108.5930	1.139	3	108.5361	0.520	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	C-4:P-4:	C-4:	C(CH3)2(NP)(H)	N(CCCH)(PCNO)	H(CCCN)	C(CH3)2(NP)(H)	N(CCCH)(PCNO)	H(CCCN)	108.1035	0.191	4	108.1035	0.036	4	108.1035	0.036	4	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	P-4:C-4:	C-4:	C(CC3)(CH3)(NP)(H)	N(PC[6a]2O)(CCCH)	H(CCCN)	C(CC3)(CH3)(NP)(H)	N(PC[6a]2O)(CCCH)	H(CCCN)	107.1090	0.000	1	107.1090	0.000	1	107.8317	0.436	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(NP)(H)	N(PC[6a]2C)(CCCH)	H(CCCN)	C(CH3)2(NP)(H)	N(PC[6a]2C)(CCCH)	H(CCCN)	108.0070	0.000	1	108.0070	0.000	1	107.8317	0.436	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(NP)(H)	N(PC[6a]2Co)(CCCH)	H(CCCN)	C(CH3)2(NP)(H)	N(PC[6a]2Co)(CCCH)	H(CCCN)	108.4070	0.000	1	108.4070	0.000	1	107.8317	0.436	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(NP)(H)	N(PC[6a]CrN)(CCCH)	H(CCCN)	C(CH3)2(NP)(H)	N(PC[6a]CrN)(CCCH)	H(CCCN)	108.2450	0.000	1	108.2450	0.000	1	107.8317	0.436	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(NP)(H)	N(PC[6a]PdN)(CCCH)	H(CCCN)	C(CH3)2(NP)(H)	N(PC[6a]PdN)(CCCH)	H(CCCN)	108.2190	0.000	1	108.2190	0.000	1	107.8317	0.436	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(NP)(H)	N(PPdCN)(CCCH)	H(CCCN)	C(CH3)2(NP)(H)	N(PPdCN)(CCCH)	H(CCCN)	108.0725	0.128	2	108.0725	0.016	2	107.8317	0.436	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	P-4:C-4:	C-4:	C(CSiCC)(CCHH)(NP)(H)	N(PC[6a]2O)(CCCH)	H(CCCN)	C(CSiCC)(CCHH)(NP)(H)	N(PC[6a]2O)(CCCH)	H(CCCN)	106.5220	0.000	1	106.5220	0.000	1	107.8317	0.436	8	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	S-4:C-4:	C-4:	C(CCCH)(CHHO)(NS)(H)	N(SC[6a]CO)(CCCH)	H(CCCN)	C(CCCH)(CHHO)(NS)(H)	N(SC[6a]CO)(CCCH)	H(CCCN)	109.0307	0.157	3	109.0307	0.025	3	108.2284	1.912	11	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	S-4:C-4:	C-4:	C(CCCN)(CCHH)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CCCN)(CCHH)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	106.9440	0.188	2	106.9440	0.035	2	108.2284	1.912	11	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	S-4:C-4:	C-4:	C(CCHH)(CHHN)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CCHH)(CHHN)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	111.3140	0.000	1	111.3140	0.000	1	108.2284	1.912	11	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	S-4:C-4:	C-4:	C(CCHH)(CHHS)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CCHH)(CHHS)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	107.8505	0.701	2	107.8505	0.491	2	108.2284	1.912	11	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	S-4:C-4:	C-4:	C(CCHN)(CF3)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CCHN)(CF3)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	106.7920	0.000	1	106.7920	0.000	1	108.2284	1.912	11	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	S-4:C-4:	C-4:	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	107.0970	0.000	1	107.0970	0.000	1	108.2284	1.912	11	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C-4:C-4:N-2:H-1:	S-4:C-4:	C-4:	C(CC[6a]HO)(CHHO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	C(CC[6a]HO)(CHHO)(NS)(H)	N(SC[6a]OO)(CCCH)	H(CCCN)	108.6280	0.000	1	108.6280	0.000	1	108.2284	1.912	11	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:N-2:H-1:	S-4:C-4:	C-4:	C(C[5]C[5]2Fe)(CH3)(NS)(H)	N(SC[6a]OO)(CC[5]CH)	H(CC[5]CN)	C(C[5]C[5]2Fe)(CH3)(NS)(H)	N(SC[6a]OO)(CC[5]CH)	H(CC[5]CN)	105.8690	0.000	1	105.8690	0.000	1	105.8690	0.000	1	108.1168	1.070	32	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	4:4:2:1:	5:4:	4:	C-4:C-4:N-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(NP)(H)	N(PCeCNO)(CCCH)	H(CCCN)	C(CH3)2(NP)(H)	N(PCeCNO)(CCCH)	H(CCCN)	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	5:2:1:1:	4:4:	4:	C[3x3,4,3x5,14x6]-5:N-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NS)(H)2	N(CC[3x3,4,3x5,14x6]HH)(SNOO)	H(CC[3x3,4,3x5,14x6]HN)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NS)(H)2	N(CC[3x3,4,3x5,14x6]HH)(SNOO)	H(CC[3x3,4,3x5,14x6]HN)	108.9950	1.076	2	108.9950	1.158	2	108.9950	1.158	2	108.9950	1.158	2	109.1722	2.990	3339	109.1722	2.990	3339
490	941	951	0:SP3_SP-NON_SP2	C	N	H	6:3:2:1:	4:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:N-2:H-1:	C-4:C[6]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	N(CC[5x3,5x5,20x6]C[6a]H)(C[6]C[6]2)	H(CC[5x3,5x5,20x6]C[6a]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	N(CC[5x3,5x5,20x6]C[6a]H)(C[6]C[6]2)	H(CC[5x3,5x5,20x6]C[6a]N)	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	109.1722	2.990	3339	109.1722	2.990	3339
490	941	952	0:SP3_SP2_SP3	C	N	S	3:4:3:2:	4:2:	3:4:1:1:	C[6a]-3:S-4:C-3:N-2:	C-4:N-2:	C[6]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	N(CC[6a]CS)(NC[6a])	S(C[6]C[6]2)(CC[6a]CN)(O)2	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	N(CC[6a]CS)(NC[6a])	S(C[6]C[6]2)(CC[6a]CN)(O)2	105.7080	0.000	1	105.7080	0.000	1	105.7080	0.000	1	105.1750	0.315	3	109.5414	12.133	12	109.5414	12.133	12
490	941	952	0:SP3_SP2_SP3	C	N	S	3:4:3:2:	4:2:	3:4:1:1:	C[6a]-3:S-4:C-3:N-2:	C-4:N-2:	C[6a]-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	N(CC[6a]CS)(NC[6a])	S(C[6a]C[6a]2)(CC[6a]CN)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	N(CC[6a]CS)(NC[6a])	S(C[6a]C[6a]2)(CC[6a]CN)(O)2	104.9085	0.452	2	104.9085	0.204	2	104.9085	0.204	2	105.1750	0.315	3	109.5414	12.133	12	109.5414	12.133	12
490	941	952	0:SP3_SP2_SP3	C	N	S	4:2:1:1:	3:4:	3:4:1:1:	S-4:N-2:H-1:H-1:	C[4]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(NC[4])(H)2	N(C[4]C[4]2)(CHHS)	S(C[6a]C[6a]2)(CHHN)(O)2	C(SC[6a]OO)(NC[4])(H)2	N(C[4]C[4]2)(CHHS)	S(C[6a]C[6a]2)(CHHN)(O)2	109.7420	0.000	1	109.7420	0.000	1	109.7420	0.000	1	109.7420	0.000	1	109.5414	12.133	12	109.5414	12.133	12
490	941	952	0:SP3_SP2_SP3	C	N	S	4:2:1:1:	4:2:	3:4:1:1:	S-4:N-2:H-1:H-1:	C-4:C-2:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CCr)	S(C[6a]C[6a]2)(CHHN)(O)2	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CCr)	S(C[6a]C[6a]2)(CHHN)(O)2	110.3380	0.000	1	110.3380	0.000	1	110.4620	0.031	2	110.4620	0.031	2	109.5414	12.133	12	109.5414	12.133	12
490	941	952	0:SP3_SP2_SP3	C	N	S	4:2:1:1:	4:2:	3:4:1:1:	S-4:N-2:H-1:H-1:	C-4:C-2:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CFe)	S(C[6a]C[6a]2)(CHHN)(O)2	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CFe)	S(C[6a]C[6a]2)(CHHN)(O)2	110.5860	0.000	1	110.5860	0.000	1	110.4620	0.031	2	110.4620	0.031	2	109.5414	12.133	12	109.5414	12.133	12
490	941	952	0:SP3_SP2_SP3	C	N	S	4:2:1:1:	4:3:	3:4:1:1:	S-4:N-2:H-1:H-1:	C-4:C-3:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CCO)	S(C[6a]C[6a]2)(CHHN)(O)2	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CCO)	S(C[6a]C[6a]2)(CHHN)(O)2	113.1172	2.269	4	113.1172	5.147	4	111.3843	10.697	6	111.3843	10.697	6	109.5414	12.133	12	109.5414	12.133	12
490	941	952	0:SP3_SP2_SP3	C	N	S	4:2:1:1:	4:3:	3:4:1:1:	S-4:N-2:H-1:H-1:	C-4:C-3:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(COsC)	S(C[6a]C[6a]2)(CHHN)(O)2	C(SC[6a]OO)(NC)(H)2	N(CHHS)(COsC)	S(C[6a]C[6a]2)(CHHN)(O)2	106.9160	0.000	1	106.9160	0.000	1	111.3843	10.697	6	111.3843	10.697	6	109.5414	12.133	12	109.5414	12.133	12
490	941	952	0:SP3_SP2_SP3	C	N	S	4:2:1:1:	4:3:	3:4:1:1:	S-4:N-2:H-1:H-1:	C-4:C-3:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CSS)	S(C[6a]C[6a]2)(CHHN)(O)2	C(SC[6a]OO)(NC)(H)2	N(CHHS)(CSS)	S(C[6a]C[6a]2)(CHHN)(O)2	108.9210	0.000	1	108.9210	0.000	1	111.3843	10.697	6	111.3843	10.697	6	109.5414	12.133	12	109.5414	12.133	12
490	941	956	0:SP3_SP2_SP2	C	N	N	3:2:4:1:	3:4:	3:4:1:	N-3:N-2:C-4:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(NC[6a])(CCl3)(H)	N(C[6a]C[6a]2)(CCHN)	N(C[6a]C[6a]2)(CCHN)(H)	C(NC[6a]H)(NC[6a])(CCl3)(H)	N(C[6a]C[6a]2)(CCHN)	N(C[6a]C[6a]2)(CCHN)(H)	114.0980	0.000	1	114.0980	0.000	1	114.0980	0.000	1	114.0980	0.000	1	107.7705	80.075	2	107.7705	80.075	2
490	941	956	0:SP3_SP2_SP2	C	N	N	4:4:3:2:	2:4:	4:1:1:	C-4:C-4:N-3:N-2:	N-2:C-4:	C-4:O-1:O-1:	C(CH3)2(NOO)(NN)	N(NC[6a])(CCCN)	N(CCCN)(O)2	C(CH3)2(NOO)(NN)	N(NC[6a])(CCCN)	N(CCCN)(O)2	101.4430	0.000	1	101.4430	0.000	1	101.4430	0.000	1	101.4430	0.000	1	107.7705	80.075	2	107.7705	80.075	2
490	941	983	0:SP3_SP1_SP2	C	N	C	2:2:1:1:	3:4:	4:2:	N-2:C-2:H-1:H-1:	C[5]-3:C-4:	C-4:C-2:	C(NC[5])(CC)(H)2	N(C[5]S[5]2)(CCHH)	C(CHHN)(CH)	C(NC[5])(CC)(H)2	N(C[5]S[5]2)(CCHH)	C(CHHN)(CH)	111.4290	0.167	2	111.4290	0.028	2	111.4290	0.028	2	110.2787	3.984	3	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	2:2:1:1:	3:4:	4:2:	N-2:C-2:H-1:H-1:	C[6a]-3:C-4:	C-4:C-2:	C(NC[6a])(CC)(H)2	N(C[6a]C[6a]2)(CCHH)	C(CHHN)(CC)	C(NC[6a])(CC)(H)2	N(C[6a]C[6a]2)(CCHH)	C(CHHN)(CC)	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	110.2787	3.984	3	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	2:2:1:1:	4:1:	4:1:	C-2:N-2:H-1:H-1:	C-4:H-1:	C-4:N-1:	C(CN)(NH)(H)2	N(CCHH)(H)	C(CHHN)(N)	C(CN)(NH)(H)2	N(CCHH)(H)	C(CHHN)(N)	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	2:2:1:1:	4:4:	4:2:	N-2:C-2:H-1:H-1:	P[6]-4:C-4:	C-4:C-2:	C(NP[6])(CC)(H)2	N(P[6]N[6]2N)(CCHH)	C(CHHN)(CH)	C(NP[6])(CC)(H)2	N(P[6]N[6]2N)(CCHH)	C(CHHN)(CH)	113.2012	1.842	5	113.2012	3.394	5	113.2012	3.394	5	113.2012	3.394	5	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	3:2:2:1:	4:4:	4:1:	C[6a]-3:C-2:N-2:H-1:	C-4:P-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(NP)(H)	N(CC[6a]CH)(PC[6a]2O)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(CN)(NP)(H)	N(CC[6a]CH)(PC[6a]2O)	C(CC[6a]HN)(N)	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	4:2:2:1:	3:4:	4:1:	C-4:C-2:N-2:H-1:	C-3:C-4:	C-4:N-1:	C(CC3)(CN)(NC)(H)	N(CC[6a]H)(CCCH)	C(CCHN)(N)	C(CC3)(CN)(NC)(H)	N(CC[6a]H)(CCCH)	C(CCHN)(N)	106.1635	0.323	2	106.1635	0.104	2	106.1635	0.104	2	106.1635	0.104	2	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	4:2:2:1:	4:2:	3:4:	C-4:C-2:N-2:H-1:	C-4:N-2:	C[6a]-3:C-4:	C(CC[6a]HN)(CC[6a])(NN)(H)	N(CCCH)(NN)	C(C[6a]C[6a]2)(CCHN)	C(CC[6a]HN)(CC[6a])(NN)(H)	N(CCCH)(NN)	C(C[6a]C[6a]2)(CCHN)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	4:2:2:1:	4:3:	4:1:	C[3x6]-4:C-2:N-2:H-1:	C-4:C-3:	C-4:N-1:	C(C[3x6]C[6,6]3)(CN)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	C(CC[3x6]HN)(N)	C(C[3x6]C[6,6]3)(CN)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	C(CC[3x6]HN)(N)	106.5710	0.000	1	106.5710	0.000	1	106.5710	0.000	1	106.5710	0.000	1	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	4:2:2:1:	4:3:	4:2:	C-4:C-2:N-2:H-1:	C-4:S-3:	C-4:C-2:	C(CC3)(CC)(NS)(H)	N(CCCH)(SCO)	C(CCHN)(CP)	C(CC3)(CC)(NS)(H)	N(CCCH)(SCO)	C(CCHN)(CP)	108.0800	0.000	1	108.0800	0.000	1	109.0690	1.956	2	109.0690	1.956	2	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	4:2:2:1:	4:3:	4:2:	C-4:C-2:N-2:H-1:	C-4:S-3:	C-4:C-2:	C(CCCH)(CC)(NS)(H)	N(CCCH)(SCO)	C(CCHN)(CSi)	C(CCCH)(CC)(NS)(H)	N(CCCH)(SCO)	C(CCHN)(CSi)	110.0580	0.000	1	110.0580	0.000	1	109.0690	1.956	2	109.0690	1.956	2	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	4:3:2:2:	3:4:	4:1:	C-4:C-3:C-2:N-2:	C-3:C-4:	C-4:N-1:	C(CH3)(CNO)(CN)(NC)	N(CC[6a]2)(CC3)	C(CCCN)(N)	C(CH3)(CNO)(CN)(NC)	N(CC[6a]2)(CC3)	C(CCCN)(N)	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	4:4:2:2:	4:2:	4:1:	C-4:C-4:C-2:N-2:	C-4:N-2:	C-4:N-1:	C(CH3)2(CN)(NN)	N(CC3)(NC)	C(CCCN)(N)	C(CH3)2(CN)(NN)	N(CC3)(NC)	C(CCCN)(N)	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	4:4:2:2:	4:3:	4:1:	C-4:C-4:C-2:N-2:	C-4:C-3:	C-4:N-1:	C(CH3)2(CN)(NC)	N(CC3)(CCO)	C(CCCN)(N)	C(CH3)2(CN)(NC)	N(CC3)(CCO)	C(CCCN)(N)	111.6950	0.000	1	111.6950	0.000	1	111.6950	0.000	1	112.1990	0.508	2	110.6514	7.546	20	110.6514	7.546	20
490	941	983	0:SP3_SP1_SP2	C	N	C	4:4:2:2:	4:3:	4:1:	C[6]-4:C-4:C-2:N-2:	C-4:C-3:	C-4:N-1:	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	N(CC[6]CC)(CC[6a]H)	C(CC[6]CN)(N)	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	N(CC[6]CC)(CC[6a]H)	C(CC[6]CN)(N)	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	112.1990	0.508	2	110.6514	7.546	20	110.6514	7.546	20
490	941	992	0:SP3_SP2_SP3	C	N	P	2:4:1:1:	3:4:	4:4:4:1:	N-2:P-4:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:C-4:Se-1:	C(NC[6a])(PSeCC)(H)2	N(C[6a]C[6a]2)(CHHP)	P(CHHN)3(Se)	C(NC[6a])(PSeCC)(H)2	N(C[6a]C[6a]2)(CHHP)	P(CHHN)3(Se)	111.3880	3.082	3	111.3880	9.501	3	111.3880	9.501	3	111.3880	9.501	3	108.4507	11.544	7	108.4507	11.544	7
490	941	992	0:SP3_SP2_SP3	C	N	P	3:4:2:1:	4:4:	4:2:2:1:	C[6a]-3:P-4:N-2:H-1:	C-4:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NC)(H)	N(CC[6a]HP)(CC[6]HH)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NC)(H)	N(CC[6a]HP)(CC[6]HH)	P(CC[6a]HN)(OC)2(O)	104.6180	0.000	1	104.6180	0.000	1	104.6180	0.000	1	104.6180	0.000	1	108.4507	11.544	7	108.4507	11.544	7
490	941	992	0:SP3_SP2_SP3	C	N	P	3:4:4:2:	4:4:	4:2:2:1:	C[6a]-3:C-4:P-4:N-2:	C-4:S-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	N(CC[6a]CP)(SC[6a]OO)	P(CC[6a]CN)(OC[6a])2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	N(CC[6a]CP)(SC[6a]OO)	P(CC[6a]CN)(OC[6a])2(O)	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	108.4507	11.544	7	108.4507	11.544	7
490	941	992	0:SP3_SP2_SP3	C	N	P	4:3:2:1:	4:3:	3:3:4:1:	P-4:C-3:N-2:H-1:	C-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCC)(NC)(H)	N(CCHP)(COO)	P(C[6a]C[6a]2)2(CCHN)(O)	C(PC[6a]2O)(CCC)(NC)(H)	N(CCHP)(COO)	P(C[6a]C[6a]2)2(CCHN)(O)	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	108.4507	11.544	7	108.4507	11.544	7
490	941	992	0:SP3_SP2_SP3	C	N	P	4:4:2:1:	4:3:	4:2:2:1:	C-4:P-4:N-2:H-1:	C-4:C-3:	C-4:O-2:O-2:O-1:	C(CCl3)(PO3)(NC)(H)	N(CCHP)(CCO)	P(CCHN)(OC)2(O)	C(CCl3)(PO3)(NC)(H)	N(CCHP)(CCO)	P(CCHN)(OC)2(O)	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	108.4507	11.544	7	108.4507	11.544	7
490	942	951	0:SP3_SP-NON_SP-NON	C	Ga[6,6]	H	3:4:1:1:	4:4:4:	4:	Ga[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C-4:	C(Ga[6,6]C[3x6]2)(CH3)(H)2	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH)	H(CGa[6,6]CH)	C(Ga[6,6]C[3x6]2)(CH3)(H)2	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH){6|C<4>}	H(CGa[6,6]CH)	108.4535	0.346	11	108.4535	0.120	11	108.4535	0.120	11	108.4535	0.120	11	108.4535	0.120	11	108.4535	0.120	11
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6,6]	H	4:1:1:1:	3:3:2:4:	4:	Ga[6,6]-4:H-1:H-1:H-1:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	C-4:	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	H(CGa[6,6]HH)	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	H(CGa[6,6]HH)	109.4780	0.014	2	109.4780	0.000	2	109.4780	0.000	2	109.4610	0.001	5	108.8027	1.221	27	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6,6]	H	4:1:1:1:	3:3:2:4:	4:	Ga[6,6]-4:H-1:H-1:H-1:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	C-4:	C(Ga[6,6]O[6,6]N[6]2)(H)3	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	H(CGa[6,6]HH)	C(Ga[6,6]O[6,6]N[6]2)(H)3	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	H(CGa[6,6]HH)	109.4497	0.041	3	109.4497	0.002	3	109.4497	0.002	3	109.4610	0.001	5	108.8027	1.221	27	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6,6]	H	4:1:1:1:	3:3:3:4:	4:	Ga[6,6]-4:H-1:H-1:H-1:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	C-4:	C(Ga[6,6]N[3x6]N[6]2)(H)3	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	H(CGa[6,6]HH)	C(Ga[6,6]N[3x6]N[6]2)(H)3	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	H(CGa[6,6]HH)	109.4950	0.037	2	109.4950	0.001	2	109.4950	0.001	2	109.4736	0.002	5	108.8027	1.221	27	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6,6]	H	4:1:1:1:	3:3:3:4:	4:	Ga[6,6]-4:H-1:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	C-4:	C(Ga[6,6]N[6,6]N[6]2)(H)3	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	H(CGa[6,6]HH)	C(Ga[6,6]N[6,6]N[6]2)(H)3	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	H(CGa[6,6]HH)	109.4593	0.041	3	109.4593	0.002	3	109.4593	0.002	3	109.4736	0.002	5	108.8027	1.221	27	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6,6]	H	4:1:1:1:	4:2:4:4:	4:	Ga[6,6]-4:H-1:H-1:H-1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	C-4:	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	H(CGa[6,6]HH)	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	H(CGa[6,6]HH)	109.4746	0.029	9	109.4746	0.001	9	109.4746	0.001	9	109.4746	0.001	9	108.8027	1.221	27	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6,6]	H	4:4:4:1:	4:2:4:4:	4:	Ga[6,6]-4:C-4:C-4:H-1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	C-4:	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	H(CGa[6,6]CC)	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	H(CGa[6,6]CC)	107.2161	0.667	8	107.2161	0.445	8	107.2161	0.445	8	107.2161	0.445	8	108.8027	1.221	27	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	2:2:4:1:	4:	Ga[6]-4:H-1:H-1:H-1:	S[6]-2:S[6]-2:C-4:Cl-1:	C-4:	C(Ga[6]S[6]2Cl)(H)3	Ga[6](S[6]P[6])2(CH3)(Cl)	H(CGa[6]HH)	C(Ga[6]S[6]2Cl)(H)3	Ga[6](S[6]P[6])2(CH3)(Cl){1|N<2>,4|C<3>}	H(CGa[6]HH)	109.4000	0.009	3	109.4000	0.000	3	109.4000	0.000	3	109.4000	0.000	3	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	2:3:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	O[6]-2:N[6]-3:C-4:C-4:	C-4:	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2	H(CGa[6]HH)	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2{1|H<1>,2|C<3>}	H(CGa[6]HH)	109.4685	0.006	2	109.4685	0.000	2	109.4685	0.000	2	109.4685	0.000	2	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:2:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:C-4:	C-4:	C(Ga[6]C[5,6]O[6]C)(H)3	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2	H(CGa[6]HH)	C(Ga[6]C[5,6]O[6]C)(H)3	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2{2|C<4>,3|C<3>}	H(CGa[6]HH)	109.4567	0.041	4	109.4567	0.002	4	109.4609	0.001	9	109.4672	0.001	23	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:2:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:C-4:	C-4:	C(Ga[6]C[5,6]O[6]C)(H)3	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2	H(CGa[6]HH)	C(Ga[6]C[5,6]O[6]C)(H)3	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	H(CGa[6]HH)	109.4642	0.036	5	109.4642	0.001	5	109.4609	0.001	9	109.4672	0.001	23	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:2:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[5,6]-3:O[6]-2:C-4:C-4:	C-4:	C(Ga[6]N[5,6]O[6]C)(H)3	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2	H(CGa[6]HH)	C(Ga[6]N[5,6]O[6]C)(H)3	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2{1|O<2>,4|C<3>}	H(CGa[6]HH)	109.4720	0.026	4	109.4720	0.001	4	109.4720	0.001	4	109.4672	0.001	23	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:2:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[6]-3:O[6]-2:C-4:C-4:	C-4:	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2	H(CGa[6]HH)	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2{1|Ga<4>,1|C<3>,2|C<4>}	H(CGa[6]HH)	109.4780	0.027	4	109.4780	0.001	4	109.4709	0.001	10	109.4672	0.001	23	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:2:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[6]-3:O[6]-2:C-4:C-4:	C-4:	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2	H(CGa[6]HH)	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	H(CGa[6]HH)	109.4662	0.020	6	109.4662	0.000	6	109.4709	0.001	10	109.4672	0.001	23	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:3:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C-4:	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2	H(CGa[6]HH)	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2{2|O<2>,5|C<3>}	H(CGa[6]HH)	109.4805	0.036	15	109.4805	0.001	15	109.4858	0.003	33	109.4853	0.002	62	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:3:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C-4:	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2	H(CGa[6]HH)	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2{1|Ga<4>,1|H<1>,5|C<3>}	H(CGa[6]HH)	109.4723	0.078	8	109.4723	0.006	8	109.4858	0.003	33	109.4853	0.002	62	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:3:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C-4:	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2	H(CGa[6]HH)	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2{1|Ga<4>,6|C<3>}	H(CGa[6]HH)	109.4808	0.023	5	109.4808	0.001	5	109.4858	0.003	33	109.4853	0.002	62	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:3:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C-4:	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]N[5,6]C[5])2(CH3)2	H(CGa[6]HH)	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]N[5,6]C[5])2(CH3)2{1|Ga<4>,2|H<1>,4|C<3>}	H(CGa[6]HH)	109.5284	0.068	5	109.5284	0.005	5	109.4858	0.003	33	109.4853	0.002	62	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:3:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[6,6]-3:N[6]-3:C-4:C-4:	C-4:	C(Ga[6]N[6,6]N[6]C)(H)3	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	H(CGa[6]HH)	C(Ga[6]N[6,6]N[6]C)(H)3	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	H(CGa[6]HH)	109.4807	0.027	6	109.4807	0.001	6	109.4803	0.001	11	109.4853	0.002	62	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:3:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[6,6]-3:N[6]-3:C-4:C-4:	C-4:	C(Ga[6]N[6,6]N[6]C)(H)3	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2	H(CGa[6]HH)	C(Ga[6]N[6,6]N[6]C)(H)3	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,4|C<3>}	H(CGa[6]HH)	109.4798	0.027	5	109.4798	0.001	5	109.4803	0.001	11	109.4853	0.002	62	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:3:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C-4:	C(Ga[6]N[6]2C)(H)3	Ga[6](N[6]C[6a]C[6])2(CH3)2	H(CGa[6]HH)	C(Ga[6]N[6]2C)(H)3	Ga[6](N[6]C[6a]C[6])2(CH3)2{2|C<4>,5|C<3>}	H(CGa[6]HH)	109.4910	0.033	14	109.4910	0.001	14	109.4910	0.001	14	109.4853	0.002	62	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	3:3:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	O[6,6]-3:N[6]-3:C-4:C-4:	C-4:	C(Ga[6]O[6,6]N[6]C)(H)3	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2	H(CGa[6]HH)	C(Ga[6]O[6,6]N[6]C)(H)3	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2{2|C<4>,2|N<2>,2|N<3>,3|C<3>}	H(CGa[6]HH)	109.4755	0.033	4	109.4755	0.001	4	109.4755	0.001	4	109.4853	0.002	62	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	4:2:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	C-4:	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2	H(CGa[6]HH)	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<4>,4|H<1>}	H(CGa[6]HH)	109.4688	0.037	5	109.4688	0.001	5	109.4301	0.005	11	109.4301	0.005	11	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:1:1:1:	4:2:4:4:	4:	Ga[6]-4:H-1:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	C-4:	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2	H(CGa[6]HH)	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2{1|Ga<4>,2|C<4>}	H(CGa[6]HH)	109.3978	0.075	6	109.3978	0.006	6	109.4301	0.005	11	109.4301	0.005	11	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:3:2:1:	3:3:3:4:	4:	Ga[6]-4:C[6a]-3:O-2:H-1:	N[6]-3:N[6]-3:C[6a]-3:C-4:	C-4:	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	H(CC[6a]Ga[6]O)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO){2|C<4>,2|F<1>,7|C<3>}	H(CC[6a]Ga[6]O)	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:4:1:1:	3:3:3:4:	4:	Ga[6]-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:In-3:C-4:	C-4:	C(Ga[6]N[6]2In)(CH3)(H)2	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH)	H(CGa[6]CH)	C(Ga[6]N[6]2In)(CH3)(H)2	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH){2|C<4>,5|C<3>}	H(CGa[6]CH)	108.3572	0.873	4	108.3572	0.763	4	108.3572	0.763	4	108.3572	0.763	4	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:4:1:1:	3:3:4:4:	4:	Ga[6]-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C-4:	C(Ga[6]N[6]2C)(CH3)(H)2	Ga[6](N[6]C[6a]C[6])2(CCHH)2	H(CGa[6]CH)	C(Ga[6]N[6]2C)(CH3)(H)2	Ga[6](N[6]C[6a]C[6])2(CCHH)2{2|C<4>,5|C<3>}	H(CGa[6]CH)	108.6120	0.804	4	108.6120	0.646	4	108.6120	0.646	4	107.8690	0.335	18	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:4:1:1:	3:3:4:4:	4:	Ga[6]-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:In-4:C-4:	C-4:	C(Ga[6]N[6]2In)(CH3)(H)2	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH)	H(CGa[6]CH)	C(Ga[6]N[6]2In)(CH3)(H)2	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH){2|C<4>,5|C<3>}	H(CGa[6]CH)	107.4460	0.006	2	107.4460	0.000	2	107.4460	0.000	2	107.8690	0.335	18	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:4:1:1:	3:3:4:4:	4:	Ga[6]-4:Si-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C-4:	C(Ga[6]N[6]2C)(SiC3)(H)2	Ga[6](N[6]Ga[6]N)2(CSiHH)2	H(CGa[6]SiH)	C(Ga[6]N[6]2C)(SiC3)(H)2	Ga[6](N[6]Ga[6]N)2(CSiHH)2{1|N<3>,4|C<4>}	H(CGa[6]SiH)	107.6918	0.272	12	107.6918	0.074	12	107.6918	0.074	12	107.8690	0.335	18	109.1562	0.471	128	109.0946	0.612	155
490	943	951	0:SP3_SP-NON_SP-NON	C	Ga[6]	H	4:4:1:1:	4:4:4:4:	4:	Ga[6]-4:C-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C-4:C-4:	C-4:	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	H(CGa[6]CH)	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	H(CGa[6]CH)	108.3578	0.555	4	108.3578	0.308	4	108.3578	0.308	4	108.3578	0.308	4	109.1562	0.471	128	109.0946	0.612	155
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	1:1:1:1:	4:	4:	H-1:H-1:I-1:I-1:	C-4:	C-4:	C(H)2(I)2	I(CHHI)	I(CHHI)	C(H)2(I)2	I(CHHI)	I(CHHI)	112.4214	3.403	9	112.4214	11.577	9	112.4214	11.577	9	111.9730	5.196	24	111.8649	5.023	34	111.8649	5.023	34
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	1:1:1:1:	4:	4:	H-1:I-1:I-1:I-1:	C-4:	C-4:	C(H)(I)3	I(CHII)	I(CHII)	C(H)(I)3	I(CHII)	I(CHII)	111.7039	1.309	15	111.7039	1.714	15	111.7039	1.714	15	111.9730	5.196	24	111.8649	5.023	34	111.8649	5.023	34
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	3:1:1:1:	4:	4:	B[5]-3:H-1:I-1:I-1:	C-4:	C-4:	C(B[5]O[5]2)(H)(I)2	I(CB[5]HI)	I(CB[5]HI)	C(B[5]O[5]2)(H)(I)2	I(CB[5]HI)	I(CB[5]HI)	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	111.0475	0.724	2	111.8649	5.023	34	111.8649	5.023	34
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	3:1:1:1:	4:	4:	C-3:H-1:I-1:I-1:	C-4:	C-4:	C(COO)(H)(I)2	I(CCHI)	I(CCHI)	C(COO)(H)(I)2	I(CCHI)	I(CCHI)	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	111.0475	0.724	2	111.8649	5.023	34	111.8649	5.023	34
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	4:1:1:1:	4:	4:	C-4:H-1:I-1:I-1:	C-4:	C-4:	C(CCHH)(H)(I)2	I(CCHI)	I(CCHI)	C(CCHH)(H)(I)2	I(CCHI)	I(CCHI)	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	113.0470	3.686	5	111.8649	5.023	34	111.8649	5.023	34
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	4:1:1:1:	4:	4:	C[5]-4:H-1:I-1:I-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(H)(I)2	I(CC[5]HI)	I(CC[5]HI)	C(C[5]C[5]N[5]O)(H)(I)2	I(CC[5]HI)	I(CC[5]HI)	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	113.0470	3.686	5	111.8649	5.023	34	111.8649	5.023	34
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	4:1:1:1:	4:	4:	S-4:H-1:I-1:I-1:	C-4:	C-4:	C(SC[6a]OO)(H)(I)2	I(CHIS)	I(CHIS)	C(SC[6a]OO)(H)(I)2	I(CHIS)	I(CHIS)	114.2867	1.118	3	114.2867	1.251	3	114.2867	1.251	3	113.0470	3.686	5	111.8649	5.023	34	111.8649	5.023	34
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	4:3:1:1:	4:	4:	C-4:N-3:I-1:I-1:	C-4:	C-4:	C(CCHH)(NOO)(I)2	I(CCIN)	I(CCIN)	C(CCHH)(NOO)(I)2	I(CCIN)	I(CCIN)	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	111.8649	5.023	34	111.8649	5.023	34
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	4:4:1:1:	4:	4:	C-4:C-4:I-1:I-1:	C-4:	C-4:	C(CCHH)(CHHN)(I)2	I(CCCI)	I(CCCI)	C(CCHH)(CHHN)(I)2	I(CCCI)	I(CCCI)	107.8220	0.000	1	107.8220	0.000	1	107.8220	0.000	1	109.6155	6.433	2	111.8649	5.023	34	111.8649	5.023	34
490	944	944	0:SP3_SP-NON_SP-NON	C	I	I	4:4:1:1:	4:	4:	S-4:S-4:I-1:I-1:	C-4:	C-4:	C(SC[6a]OO)2(I)2	I(CISS)	I(CISS)	C(SC[6a]OO)2(I)2	I(CISS)	I(CISS)	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	109.6155	6.433	2	111.8649	5.023	34	111.8649	5.023	34