490	893	941	0:SP3_SP2_SP3	C	O	N	3:2:2:1:	4:1:	3:4:	C-3:N-2:O-2:H-1:	C-4:H-1:	C-3:C-4:	C(CNO)(NC)(OH)(H)	O(CCHN)(H)	N(CC[6a]2)(CCHO)	C(CNO)(NC)(OH)(H)	O(CCHN)(H)	N(CC[6a]2)(CCHO)	110.4095	0.805	4	110.4095	0.648	4	110.4095	0.648	4	110.4095	0.648	4	109.7407	2.831	7	109.7407	2.831	7
490	893	941	0:SP3_SP2_SP3	C	O	N	3:2:2:1:	4:4:	3:4:	C-3:N-2:O-2:H-1:	C-4:C-4:	C-3:C-4:	C(CCH)(NC)(OC)(H)	O(CCHH)(CCHN)	N(CC[6a]2)(CCHO)	C(CCH)(NC)(OC)(H)	O(CCHH)(CCHN)	N(CC[6a]2)(CCHO)	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	109.7407	2.831	7	109.7407	2.831	7
490	893	941	0:SP3_SP2_SP3	C	O	N	4:2:2:1:	4:1:	4:3:	C-4:N-2:O-2:H-1:	C-4:H-1:	C-4:C-3:	C(CCl3)(NC)(OH)(H)	O(CCHN)(H)	N(CCHO)(CHO)	C(CCl3)(NC)(OH)(H)	O(CCHN)(H)	N(CCHO)(CHO)	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.7407	2.831	7	109.7407	2.831	7
490	893	941	0:SP3_SP2_SP3	C	O	N	4:4:2:2:	4:2:	4:2:	C-4:C-4:N-2:O-2:	C-4:O-2:	C-4:N-2:	C(CH3)2(NN)(OO)	O(CCCN)(OH)	N(CCCO)(NC)	C(CH3)2(NN)(OO)	O(CCCN)(OH)	N(CCCO)(NC)	106.3170	0.000	1	106.3170	0.000	1	106.3170	0.000	1	106.3170	0.000	1	109.7407	2.831	7	109.7407	2.831	7
490	893	943	0:SP3_SP-NON_SP2	C	O	Ga[6]	4:3:2:1:	4:3:	3:3:3:4:	Ga[6]-4:C[6a]-3:O-2:H-1:	C-4:B-3:	N[6]-3:N[6]-3:C[6a]-3:C-4:	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	O(CC[6a]Ga[6]H)(BC[6a]2)	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	O(CC[6a]Ga[6]H)(BC[6a]2)	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>}	105.8650	0.000	1	105.8650	0.000	1	105.8650	0.000	1	105.8650	0.000	1	105.8650	0.000	1	105.8650	0.000	1
490	893	945	0:SP3_SP2_SP3	C	O	P	3:2:1:1:	3:4:	3:3:4:	P-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CHHP)	P(C[6a]C[6a]2)2(CHHO)	C(PC[6a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CHHP)	P(C[6a]C[6a]2)2(CHHO)	111.4407	4.428	3	111.4407	19.605	3	111.4407	19.605	3	111.4407	19.605	3	110.9388	8.223	6	110.9388	8.223	6
490	893	945	0:SP3_SP2_SP3	C	O	P	3:3:2:3:	3:4:	4:4:4:	C[6a]-3:C[6a]-3:O-2:P-3:	B[5]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)2(OB[5])(PCC)	O(B[5]C[5,6a]2)(CC[6a]2P)	P(CC[6a]2O)(CC3)2	C(C[6a]C[6a]2)2(OB[5])(PCC)	O(B[5]C[5,6a]2)(CC[6a]2P)	P(CC[6a]2O)(CC3)2	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	110.9388	8.223	6	110.9388	8.223	6
490	893	945	0:SP3_SP2_SP3	C	O	P	3:3:3:2:	3:4:	3:3:4:	C[6a]-3:P-3:P-3:O-2:	B[5a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	O(B[5a]O[5a]2)(CC[6a]PP)	P(C[6a]C[6a]2)2(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	O(B[5a]O[5a]2)(CC[6a]PP)	P(C[6a]C[6a]2)2(CC[6a]OP)	110.6895	0.100	2	110.6895	0.010	2	110.6895	0.010	2	110.6895	0.010	2	110.9388	8.223	6	110.9388	8.223	6
490	893	945	0:SP3_SP3_SP3	C	O	P	3:2:1:1:	4:1:	4:4:4:	P-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:C-4:	C(PCC)(OH)(H)2	O(CHHP)(H)	P(CCHH)(CHHO)2	C(PCC)(OH)(H)2	O(CHHP)(H)	P(CCHH)(CHHO)2	114.1955	2.951	2	114.1955	8.707	2	114.1955	8.707	2	114.1955	8.707	2	114.1955	8.707	2	114.1955	8.707	2
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	2:4:	4:	O-2:H-1:H-1:H-1:	N-2:C-4:	C-4:	C(ON)(H)3	O(NC[4])(CH3)	H(CHHO)	C(ON)(H)3	O(NC[4])(CH3)	H(CHHO)	109.4945	0.021	4	109.4945	0.000	4	109.4663	0.762	81	109.4664	0.734	84	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	2:4:	4:	O-2:H-1:H-1:H-1:	N-2:C-4:	C-4:	C(ON)(H)3	O(NC[5a])(CH3)	H(CHHO)	C(ON)(H)3	O(NC[5a])(CH3)	H(CHHO)	109.4547	0.081	3	109.4547	0.007	3	109.4663	0.762	81	109.4664	0.734	84	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	2:4:	4:	O-2:H-1:H-1:H-1:	N-2:C-4:	C-4:	C(ON)(H)3	O(NC[6])(CH3)	H(CHHO)	C(ON)(H)3	O(NC[6])(CH3)	H(CHHO)	109.4639	0.926	72	109.4639	0.858	72	109.4663	0.762	81	109.4664	0.734	84	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	2:4:	4:	O-2:H-1:H-1:H-1:	N-2:C-4:	C-4:	C(ON)(H)3	O(NC[6a])(CH3)	H(CHHO)	C(ON)(H)3	O(NC[6a])(CH3)	H(CHHO)	109.5130	0.016	2	109.5130	0.000	2	109.4663	0.762	81	109.4664	0.734	84	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	2:4:	4:	O-2:H-1:H-1:H-1:	S-2:C-4:	C-4:	C(OS)(H)3	O(SC[6a])(CH3)	H(CHHO)	C(OS)(H)3	O(SC[6a])(CH3)	H(CHHO)	109.4700	0.038	3	109.4700	0.001	3	109.4700	0.001	3	109.4664	0.734	84	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:C-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(C)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(OC)(C)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.3790	0.184	2	109.3790	0.034	2	109.3790	0.034	2	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:F-1:F-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(F)2(H)	O(C[6a]C[6a]2)(CFFH)	H(CFFO)	C(OC[6a])(F)2(H)	O(C[6a]C[6a]2)(CFFH)	H(CFFO)	111.8760	1.303	9	111.8760	1.698	9	111.8760	1.698	9	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B-3:C-4:	C-4:	C(OB)(H)3	O(BB[5]O)(CH3)	H(CHHO)	C(OB)(H)3	O(BB[5]O)(CH3)	H(CHHO)	109.4698	0.027	5	109.4698	0.001	5	109.4881	0.220	43	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B-3:C-4:	C-4:	C(OB)(H)3	O(BC[5]Br)(CH3)	H(CHHO)	C(OB)(H)3	O(BC[5]Br)(CH3)	H(CHHO)	109.4880	0.011	2	109.4880	0.000	2	109.4881	0.220	43	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B-3:C-4:	C-4:	C(OB)(H)3	O(BC[5]O)(CH3)	H(CHHO)	C(OB)(H)3	O(BC[5]O)(CH3)	H(CHHO)	109.4795	0.036	6	109.4795	0.001	6	109.4881	0.220	43	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B-3:C-4:	C-4:	C(OB)(H)3	O(BC[5a]C[6a])(CH3)	H(CHHO)	C(OB)(H)3	O(BC[5a]C[6a])(CH3)	H(CHHO)	109.4630	0.088	6	109.4630	0.008	6	109.4881	0.220	43	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B-3:C-4:	C-4:	C(OB)(H)3	O(BC[6,6]2)(CH3)	H(CHHO)	C(OB)(H)3	O(BC[6,6]2)(CH3)	H(CHHO)	109.4750	0.006	2	109.4750	0.000	2	109.4881	0.220	43	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B-3:C-4:	C-4:	C(OB)(H)3	O(BC[6]O)(CH3)	H(CHHO)	C(OB)(H)3	O(BC[6]O)(CH3)	H(CHHO)	109.4636	0.019	5	109.4636	0.000	5	109.4881	0.220	43	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B-3:C-4:	C-4:	C(OB)(H)3	O(BC[6a]O)(CH3)	H(CHHO)	C(OB)(H)3	O(BC[6a]O)(CH3)	H(CHHO)	109.5263	0.840	14	109.5263	0.705	14	109.4881	0.220	43	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B-3:C-4:	C-4:	C(OB)(H)3	O(BPtN)(CH3)	H(CHHO)	C(OB)(H)3	O(BPtN)(CH3)	H(CHHO)	109.4577	0.022	3	109.4577	0.000	3	109.4881	0.220	43	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B[5,6,6]-3:C-4:	C-4:	C(OB[5,6,6])(H)3	O(B[5,6,6]B[3x3,4x5,14x6]C[5,3x6])(CH3)	H(CHHO)	C(OB[5,6,6])(H)3	O(B[5,6,6]B[3x3,4x5,14x6]C[5,3x6])(CH3)	H(CHHO)	109.4623	0.040	3	109.4623	0.002	3	109.4623	0.002	3	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B[5]-3:C-4:	C-4:	C(OB[5])(H)3	O(B[5]C[5,6a]2)(CH3)	H(CHHO)	C(OB[5])(H)3	O(B[5]C[5,6a]2)(CH3)	H(CHHO)	109.4662	0.034	6	109.4662	0.001	6	109.4693	0.003	16	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B[5]-3:C-4:	C-4:	C(OB[5])(H)3	O(B[5]C[5]N[5])(CH3)	H(CHHO)	C(OB[5])(H)3	O(B[5]C[5]N[5])(CH3)	H(CHHO)	109.4711	0.061	10	109.4711	0.004	10	109.4693	0.003	16	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B[6]-3:C-4:	C-4:	C(OB[6])(H)3	O(B[6]C[5,6]2)(CH3)	H(CHHO)	C(OB[6])(H)3	O(B[6]C[5,6]2)(CH3)	H(CHHO)	109.4732	0.024	5	109.4732	0.001	5	109.4732	0.001	5	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B[6a]-3:C-4:	C-4:	C(OB[6a])(H)3	O(B[6a]C[6a,6a]O[6a])(CH3)	H(CHHO)	C(OB[6a])(H)3	O(B[6a]C[6a,6a]O[6a])(CH3)	H(CHHO)	109.4790	0.035	3	109.4790	0.001	3	109.7657	1.239	16	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B[6a]-3:C-4:	C-4:	C(OB[6a])(H)3	O(B[6a]C[6a]N[6a])(CH3)	H(CHHO)	C(OB[6a])(H)3	O(B[6a]C[6a]N[6a])(CH3)	H(CHHO)	111.0873	2.462	3	111.0873	6.062	3	109.7657	1.239	16	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	B[6a]-3:C-4:	C-4:	C(OB[6a])(H)3	O(B[6a]O[6a]2)(CH3)	H(CHHO)	C(OB[6a])(H)3	O(B[6a]O[6a]2)(CH3)	H(CHHO)	109.4552	0.030	10	109.4552	0.001	10	109.7657	1.239	16	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3,3,5,5x6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,3,5,5x6]O)(CH3)	H(CHHO)	109.4707	0.021	4	109.4707	0.000	4	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3,3,5]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,3,5]O)(CH3)	H(CHHO)	109.4503	0.121	3	109.4503	0.015	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3,3]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,3]O)(CH3)	H(CHHO)	109.4675	0.016	4	109.4675	0.000	4	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3,5,5]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,5,5]O)(CH3)	H(CHHO)	109.4712	0.030	5	109.4712	0.001	5	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3,5,5]S)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,5,5]S)(CH3)	H(CHHO)	110.0700	0.900	3	110.0700	0.810	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3,5,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,5,6]O)(CH3)	H(CHHO)	108.4402	2.169	5	108.4402	4.705	5	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3,5]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,5]O)(CH3)	H(CHHO)	108.9655	2.415	51	108.9655	5.835	51	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3,6,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,6,6]O)(CH3)	H(CHHO)	109.4595	0.042	6	109.4595	0.002	6	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,6]O)(CH3)	H(CHHO)	109.3196	0.637	22	109.3196	0.406	22	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3]C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3]C)(CH3)	H(CHHO)	109.4964	0.028	5	109.4964	0.001	5	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3]N)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3]N)(CH3)	H(CHHO)	109.4747	0.034	3	109.4747	0.001	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3]O)(CH3)	H(CHHO)	109.3264	1.035	456	109.3264	1.072	456	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3x4,3x6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x4,3x6]O)(CH3)	H(CHHO)	109.3072	1.477	44	109.3072	2.181	44	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3x4,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x4,6]O)(CH3)	H(CHHO)	109.4697	0.026	3	109.4697	0.001	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3x4]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x4]O)(CH3)	H(CHHO)	109.2694	1.325	15	109.2694	1.756	15	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3x5,3x6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x5,3x6]O)(CH3)	H(CHHO)	109.4620	0.043	5	109.4620	0.002	5	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3x5,6,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x5,6,6]O)(CH3)	H(CHHO)	108.9777	1.406	3	108.9777	1.976	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3x5,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x5,6]O)(CH3)	H(CHHO)	109.4805	0.037	2	109.4805	0.001	2	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3x5]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x5]O)(CH3)	H(CHHO)	109.4487	0.015	3	109.4487	0.000	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[3x6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x6]O)(CH3)	H(CHHO)	109.4695	0.033	46	109.4695	0.001	46	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[4,4,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4,4,6]O)(CH3)	H(CHHO)	109.4806	0.044	10	109.4806	0.002	10	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[4,4]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4,4]O)(CH3)	H(CHHO)	109.2583	0.838	23	109.2583	0.701	23	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[4,5,5]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4,5,5]O)(CH3)	H(CHHO)	109.4669	0.027	9	109.4669	0.001	9	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[4,5,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4,5,6]O)(CH3)	H(CHHO)	109.6899	1.580	14	109.6899	2.498	14	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[4,5]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4,5]O)(CH3)	H(CHHO)	109.2632	1.101	18	109.2632	1.212	18	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[4,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4,6]O)(CH3)	H(CHHO)	109.4767	0.025	9	109.4767	0.001	9	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[4]C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4]C)(CH3)	H(CHHO)	109.4720	0.025	3	109.4720	0.001	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[4]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4]O)(CH3)	H(CHHO)	109.3770	0.869	254	109.3770	0.755	254	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[4x5,6,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4x5,6,6]O)(CH3)	H(CHHO)	109.4640	0.023	2	109.4640	0.001	2	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5,3x6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,3x6]O)(CH3)	H(CHHO)	109.4750	0.031	3	109.4750	0.001	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5,5,3x6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,5,3x6]O)(CH3)	H(CHHO)	109.4642	0.013	6	109.4642	0.000	6	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5,5,6,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,5,6,6]O)(CH3)	H(CHHO)	109.4727	0.048	20	109.4727	0.002	20	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5,5,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,5,6]O)(CH3)	H(CHHO)	109.4270	1.056	84	109.4270	1.114	84	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5,5]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,5]O)(CH3)	H(CHHO)	109.1679	1.437	234	109.1679	2.064	234	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5,6,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,6,6]O)(CH3)	H(CHHO)	109.4773	0.034	21	109.4773	0.001	21	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,6]O)(CH3)	H(CHHO)	109.3777	0.993	575	109.3777	0.987	575	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5]C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]C)(CH3)	H(CHHO)	109.4697	1.892	17	109.4697	3.579	17	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5]Cr)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]Cr)(CH3)	H(CHHO)	109.4500	0.050	3	109.4500	0.002	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5]N)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]N)(CH3)	H(CHHO)	109.4576	0.043	10	109.4576	0.002	10	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]O)(CH3)	H(CHHO)	109.3848	1.017	4228	109.3848	1.035	4228	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5]S)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]S)(CH3)	H(CHHO)	109.5147	0.034	3	109.5147	0.001	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5]W)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]W)(CH3)	H(CHHO)	109.4730	0.049	6	109.4730	0.002	6	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5a]Cr)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]Cr)(CH3)	H(CHHO)	109.4742	0.023	4	109.4742	0.001	4	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5a]N)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]N)(CH3)	H(CHHO)	109.4603	0.028	3	109.4603	0.001	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5a]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]O)(CH3)	H(CHHO)	109.4093	0.728	1153	109.4093	0.530	1153	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5a]S)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]S)(CH3)	H(CHHO)	109.4920	0.034	2	109.4920	0.001	2	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5a]W)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]W)(CH3)	H(CHHO)	109.5000	0.064	3	109.5000	0.004	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[5x3,5x5,20x6]C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5x3,5x5,20x6]C)(CH3)	H(CHHO)	109.4777	0.024	3	109.4777	0.001	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6,6]H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6,6]H)(CH3)	H(CHHO)	108.9547	1.379	3	108.9547	1.902	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6,6]O)(CH3)	H(CHHO)	109.2930	1.356	572	109.2930	1.839	572	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6]C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]C)(CH3)	H(CHHO)	109.4582	0.012	6	109.4582	0.000	6	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6]H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]H)(CH3)	H(CHHO)	109.4921	0.039	8	109.4921	0.002	8	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6]N)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]N)(CH3)	H(CHHO)	109.4478	0.047	10	109.4478	0.002	10	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]O)(CH3)	H(CHHO)	109.3952	1.039	3411	109.3952	1.080	3411	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6]W)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]W)(CH3)	H(CHHO)	109.4297	6.601	3	109.4297	43.577	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C)(CH3)	H(CHHO)	109.4759	0.640	30	109.4759	0.410	30	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C[5])(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C[5])(CH3)	H(CHHO)	109.1581	0.893	9	109.1581	0.798	9	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6a]Cr)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]Cr)(CH3)	H(CHHO)	109.4726	0.082	10	109.4726	0.007	10	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6a]N)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]N)(CH3)	H(CHHO)	109.1578	1.226	21	109.1578	1.504	21	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6a]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]O)(CH3)	H(CHHO)	109.4142	0.736	4112	109.4142	0.542	4112	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CC[6a]Re)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]Re)(CH3)	H(CHHO)	109.4620	0.041	2	109.4620	0.002	2	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CClH)(CH3)	H(CHHO)	C(OC)(H)3	O(CClH)(CH3)	H(CHHO)	109.4780	0.018	3	109.4780	0.000	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CCrC)(CH3)	H(CHHO)	C(OC)(H)3	O(CCrC)(CH3)	H(CHHO)	109.4730	0.039	6	109.4730	0.002	6	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CFeC)(CH3)	H(CHHO)	C(OC)(H)3	O(CFeC)(CH3)	H(CHHO)	109.6883	2.851	6	109.6883	8.128	6	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CFeO)(CH3)	H(CHHO)	C(OC)(H)3	O(CFeO)(CH3)	H(CHHO)	109.4898	0.030	5	109.4898	0.001	5	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CIrC)(CH3)	H(CHHO)	C(OC)(H)3	O(CIrC)(CH3)	H(CHHO)	109.8940	1.126	21	109.8940	1.269	21	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CIrO)(CH3)	H(CHHO)	C(OC)(H)3	O(CIrO)(CH3)	H(CHHO)	109.4733	0.022	6	109.4733	0.000	6	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CMnN)(CH3)	H(CHHO)	C(OC)(H)3	O(CMnN)(CH3)	H(CHHO)	109.4650	0.000	1	109.4650	0.000	1	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CMo2)(CH3)	H(CHHO)	C(OC)(H)3	O(CMo2)(CH3)	H(CHHO)	109.5100	0.000	1	109.5100	0.000	1	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CN[3]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[3]O)(CH3)	H(CHHO)	109.4630	0.011	2	109.4630	0.000	2	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CN[5]C)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[5]C)(CH3)	H(CHHO)	109.5182	0.120	5	109.5182	0.014	5	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CN[5]H)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[5]H)(CH3)	H(CHHO)	109.4953	0.048	6	109.4953	0.002	6	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CN[5]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[5]O)(CH3)	H(CHHO)	109.2516	1.316	143	109.2516	1.731	143	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CN[5a]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[5a]O)(CH3)	H(CHHO)	109.2406	1.053	30	109.2406	1.110	30	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CN[6,6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[6,6]O)(CH3)	H(CHHO)	108.7455	1.808	17	108.7455	3.267	17	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CN[6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[6]O)(CH3)	H(CHHO)	109.3303	1.315	114	109.3303	1.730	114	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(COsC)(CH3)	H(CHHO)	C(OC)(H)3	O(COsC)(CH3)	H(CHHO)	109.4337	0.059	3	109.4337	0.003	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CPdO)(CH3)	H(CHHO)	C(OC)(H)3	O(CPdO)(CH3)	H(CHHO)	110.1527	1.439	13	110.1527	2.071	13	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CPtC)(CH3)	H(CHHO)	C(OC)(H)3	O(CPtC)(CH3)	H(CHHO)	109.4531	0.073	15	109.4531	0.005	15	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CPtH)(CH3)	H(CHHO)	C(OC)(H)3	O(CPtH)(CH3)	H(CHHO)	109.4667	0.032	3	109.4667	0.001	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CReO)(CH3)	H(CHHO)	C(OC)(H)3	O(CReO)(CH3)	H(CHHO)	109.4920	0.010	2	109.4920	0.000	2	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CRhC)(CH3)	H(CHHO)	C(OC)(H)3	O(CRhC)(CH3)	H(CHHO)	109.4610	0.030	3	109.4610	0.001	3	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CRuC)(CH3)	H(CHHO)	C(OC)(H)3	O(CRuC)(CH3)	H(CHHO)	109.4303	0.419	15	109.4303	0.176	15	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CRuO)(CH3)	H(CHHO)	C(OC)(H)3	O(CRuO)(CH3)	H(CHHO)	109.4626	0.017	5	109.4626	0.000	5	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(H)3	O(CSi[3x6]O)(CH3)	H(CHHO)	C(OC)(H)3	O(CSi[3x6]O)(CH3)	H(CHHO)	109.4675	0.022	2	109.4675	0.000	2	109.3864	0.945	16032	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[4]-3:C-4:	C-4:	C(OC[4])(H)3	O(C[4]C[4]2)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]C[4]2)(CH3)	H(CHHO)	109.5207	0.060	3	109.5207	0.004	3	109.5018	0.002	5	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[4]-3:C-4:	C-4:	C(OC[4])(H)3	O(C[4]S[4]2)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]S[4]2)(CH3)	H(CHHO)	109.4735	0.005	2	109.4735	0.000	2	109.5018	0.002	5	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[4a]-3:C-4:	C-4:	C(OC[4a])(H)3	O(C[4a]C[4a]2)(CH3)	H(CHHO)	C(OC[4a])(H)3	O(C[4a]C[4a]2)(CH3)	H(CHHO)	109.4778	0.031	8	109.4778	0.001	8	109.4778	0.001	8	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-3:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6])(CH3)	H(CHHO)	109.4686	0.020	5	109.4686	0.000	5	109.4686	0.000	5	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[3x5,6,6]C[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[3x5,6,6]C[5])(CH3)	H(CHHO)	109.4683	0.031	3	109.4683	0.001	3	109.3078	1.136	195	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]C[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]C[5])(CH3)	H(CHHO)	109.4721	0.025	37	109.4721	0.001	37	109.3078	1.136	195	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6]C[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6]C[5])(CH3)	H(CHHO)	109.4614	0.036	13	109.4614	0.001	13	109.3078	1.136	195	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]C[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5])(CH3)	H(CHHO)	109.4660	0.000	1	109.4660	0.000	1	109.3078	1.136	195	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]N[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]N[5])(CH3)	H(CHHO)	109.4747	0.019	3	109.4747	0.000	3	109.3078	1.136	195	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]2)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]2)(CH3)	H(CHHO)	109.3062	1.167	102	109.3062	1.363	102	109.3078	1.136	195	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]N[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]N[5])(CH3)	H(CHHO)	109.4682	0.035	23	109.4682	0.001	23	109.3078	1.136	195	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]O[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]O[5])(CH3)	H(CHHO)	109.4738	0.039	10	109.4738	0.002	10	109.3078	1.136	195	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(H)3	O(C[5]N[5]S[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]N[5]S[5])(CH3)	H(CHHO)	104.5087	2.369	3	104.5087	5.614	3	109.3078	1.136	195	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]C[5a,6]C[5a])(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]C[5a,6]C[5a])(CH3)	H(CHHO)	109.4686	0.035	8	109.4686	0.001	8	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]C[5a,6]N[5a])(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]C[5a,6]N[5a])(CH3)	H(CHHO)	108.1520	2.592	3	108.1520	6.721	3	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]C[5a,6a]C[5a])(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]C[5a,6a]C[5a])(CH3)	H(CHHO)	109.4316	0.051	5	109.4316	0.003	5	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]C[5a,6a]O[5a])(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]C[5a,6a]O[5a])(CH3)	H(CHHO)	109.4373	0.035	3	109.4373	0.001	3	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]C[5a]2)(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]C[5a]2)(CH3)	H(CHHO)	109.2800	1.419	167	109.2800	2.015	167	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]C[5a]N[5a])(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]C[5a]N[5a])(CH3)	H(CHHO)	108.8398	1.670	25	108.8398	2.788	25	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]C[5a]O[5a])(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]C[5a]O[5a])(CH3)	H(CHHO)	109.1256	1.092	36	109.1256	1.192	36	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]C[5a]S[5a])(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]C[5a]S[5a])(CH3)	H(CHHO)	109.0219	1.547	26	109.0219	2.392	26	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]N[5a,6]C[5a])(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]N[5a,6]C[5a])(CH3)	H(CHHO)	109.4838	0.014	5	109.4838	0.000	5	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]N[5a]2)(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]N[5a]2)(CH3)	H(CHHO)	108.3150	1.780	5	108.3150	3.168	5	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(H)3	O(C[5a]N[5a]S[5a])(CH3)	H(CHHO)	C(OC[5a])(H)3	O(C[5a]N[5a]S[5a])(CH3)	H(CHHO)	109.4565	0.049	17	109.4565	0.002	17	109.1976	1.820	300	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-3:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6])(CH3)	H(CHHO)	109.4804	0.026	11	109.4804	0.001	11	109.2703	1.574	42	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-3:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[3x6]N[6,6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]N[6,6])(CH3)	H(CHHO)	109.4917	0.026	8	109.4917	0.001	8	109.2703	1.574	42	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-3:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[5,3x6]C[6,6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[5,3x6]C[6,6])(CH3)	H(CHHO)	109.4621	0.049	8	109.4621	0.002	8	109.2703	1.574	42	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-3:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[5,3x6]N[6,6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[5,3x6]N[6,6])(CH3)	H(CHHO)	108.8957	2.092	15	108.8957	4.375	15	109.2703	1.574	42	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3,5,6]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3,5,6]C[6])(CH3)	H(CHHO)	109.4760	0.014	3	109.4760	0.000	3	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3,5,6]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3,5,6]O[6])(CH3)	H(CHHO)	109.4485	0.006	2	109.4485	0.000	2	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3,6]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3,6]C[6])(CH3)	H(CHHO)	109.4707	0.009	3	109.4707	0.000	3	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[4,4,6]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[4,4,6]C[6])(CH3)	H(CHHO)	109.4700	0.008	2	109.4700	0.000	2	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[4,6]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[4,6]C[6])(CH3)	H(CHHO)	109.4716	0.023	5	109.4716	0.001	5	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6])(CH3)	H(CHHO)	109.4845	0.023	4	109.4845	0.001	4	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6,6]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6,6]O[6])(CH3)	H(CHHO)	109.4537	0.069	3	109.4537	0.005	3	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]C[6])(CH3)	H(CHHO)	109.4505	0.670	105	109.4505	0.448	105	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]N[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]N[6])(CH3)	H(CHHO)	110.7018	4.048	25	110.7018	16.386	25	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]O[6])(CH3)	H(CHHO)	109.4840	0.034	3	109.4840	0.001	3	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5a,6]2)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5a,6]2)(CH3)	H(CHHO)	109.4603	0.051	3	109.4603	0.003	3	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5a,6]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5a,6]C[6])(CH3)	H(CHHO)	109.4903	0.007	3	109.4903	0.000	3	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6]C[6])(CH3)	H(CHHO)	109.4680	0.034	62	109.4680	0.001	62	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6]N[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6]N[6])(CH3)	H(CHHO)	108.4320	3.208	6	108.4320	10.292	6	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6]O[6])(CH3)	H(CHHO)	109.4927	0.010	3	109.4927	0.000	3	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]C[6,6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6,6])(CH3)	H(CHHO)	109.4757	0.007	3	109.4757	0.000	3	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6])(CH3)	H(CHHO)	109.4788	0.036	34	109.4788	0.001	34	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]N[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]N[6])(CH3)	H(CHHO)	109.4857	0.027	3	109.4857	0.001	3	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]O[6])(CH3)	H(CHHO)	109.4682	0.696	6	109.4682	0.484	6	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2)(CH3)	H(CHHO)	109.3914	1.349	1096	109.3914	1.820	1096	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]N[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]N[6])(CH3)	H(CHHO)	109.4865	1.041	407	109.4865	1.085	407	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]O[6])(CH3)	H(CHHO)	109.4773	0.143	40	109.4773	0.021	40	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]N[5,6]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]N[5,6]C[6])(CH3)	H(CHHO)	109.4690	0.067	4	109.4690	0.005	4	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]N[6,6]N[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]N[6,6]N[6])(CH3)	H(CHHO)	109.4675	0.012	2	109.4675	0.000	2	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(H)3	O(C[6]N[6]2)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]N[6]2)(CH3)	H(CHHO)	109.4765	0.042	25	109.4765	0.002	25	109.4397	1.608	1852	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[4,6a]C[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[4,6a]C[6a])(CH3)	H(CHHO)	109.5020	0.038	3	109.5020	0.001	3	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5,6,6a]2)(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5,6,6a]2)(CH3)	H(CHHO)	109.3637	1.409	22	109.3637	1.984	22	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5,6,6a]C[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5,6,6a]C[6a])(CH3)	H(CHHO)	109.3582	0.741	31	109.3582	0.549	31	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5,6a]2)(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5,6a]2)(CH3)	H(CHHO)	109.4570	0.028	5	109.4570	0.001	5	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5,6a]C[6,6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5,6a]C[6,6a])(CH3)	H(CHHO)	109.4655	0.027	6	109.4655	0.001	6	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5,6a]C[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5,6a]C[6a])(CH3)	H(CHHO)	109.3710	1.333	749	109.3710	1.777	749	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5,6a]N[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5,6a]N[6a])(CH3)	H(CHHO)	109.4435	0.028	2	109.4435	0.001	2	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5a,6a]2)(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5a,6a]2)(CH3)	H(CHHO)	109.3134	1.005	8	109.3134	1.010	8	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5a,6a]C[5,6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5a,6a]C[5,6a])(CH3)	H(CHHO)	109.4685	0.031	4	109.4685	0.001	4	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5a,6a]C[6,6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5a,6a]C[6,6a])(CH3)	H(CHHO)	109.4615	0.039	8	109.4615	0.002	8	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	H(CHHO)	108.9980	1.878	20	108.9980	3.527	20	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5a,6a]C[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5a,6a]C[6a])(CH3)	H(CHHO)	109.2655	1.125	230	109.2655	1.267	230	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[5a,6a]N[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[5a,6a]N[6a])(CH3)	H(CHHO)	109.3684	0.583	42	109.3684	0.340	42	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6,6,6a]2)(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6,6,6a]2)(CH3)	H(CHHO)	109.4647	0.045	3	109.4647	0.002	3	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6,6,6a]C[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6,6,6a]C[6a])(CH3)	H(CHHO)	109.4628	0.039	40	109.4628	0.001	40	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6,6,6a]N[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6,6,6a]N[6a])(CH3)	H(CHHO)	109.4805	0.033	6	109.4805	0.001	6	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6,6a]2)(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6,6a]2)(CH3)	H(CHHO)	109.4586	0.198	16	109.4586	0.039	16	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6,6a]C[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6,6a]C[6a])(CH3)	H(CHHO)	109.3997	0.983	1134	109.3997	0.966	1134	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6a,6a]2)(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6a,6a]2)(CH3)	H(CHHO)	109.5548	2.496	27	109.5548	6.229	27	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6a,6a]C[5,6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6a,6a]C[5,6a])(CH3)	H(CHHO)	109.3095	0.865	26	109.3095	0.748	26	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6a,6a]C[6,6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6a,6a]C[6,6a])(CH3)	H(CHHO)	109.5676	1.521	34	109.5676	2.314	34	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6a,6a]C[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6a,6a]C[6a])(CH3)	H(CHHO)	109.3344	2.092	1227	109.3344	4.376	1227	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6a,6a]N[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6a,6a]N[6a])(CH3)	H(CHHO)	109.2986	1.961	21	109.2986	3.844	21	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6a]2)(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6a]2)(CH3)	H(CHHO)	109.4368	0.980	48210	109.4368	0.961	48210	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6a]N[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6a]N[6a])(CH3)	H(CHHO)	109.4158	0.658	866	109.4158	0.433	866	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]C[6a]O[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]C[6a]O[6a])(CH3)	H(CHHO)	109.8025	3.437	14	109.8025	11.815	14	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]N[5a,6a]C[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]N[5a,6a]C[6a])(CH3)	H(CHHO)	109.4422	0.091	11	109.4422	0.008	11	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]N[5a,6a]N[6a])(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]N[5a,6a]N[6a])(CH3)	H(CHHO)	109.4911	0.043	7	109.4911	0.002	7	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(H)3	O(C[6a]N[6a]2)(CH3)	H(CHHO)	C(OC[6a])(H)3	O(C[6a]N[6a]2)(CH3)	H(CHHO)	109.1643	1.687	209	109.1643	2.845	209	109.4304	1.058	52981	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	Se-3:C-4:	C-4:	C(OSe)(H)3	O(SeC[6a]O)(CH3)	H(CHHO)	C(OSe)(H)3	O(SeC[6a]O)(CH3)	H(CHHO)	109.4577	0.024	3	109.4577	0.001	3	109.4577	0.001	3	109.4198	1.051	71517	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:2:	4:	O-2:H-1:H-1:H-1:	C-4:N-2:	C-4:	C(ON)(H)3	O(CH3)(NC)	H(CHHO)	C(ON)(H)3	O(CH3)(NC)	H(CHHO)	109.4565	0.505	190	109.4565	0.255	190	109.4573	0.237	205	109.4573	0.237	205	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:2:	4:	O-2:H-1:H-1:H-1:	C-4:N-2:	C-4:	C(ON)(H)3	O(CH3)(NN)	H(CHHO)	C(ON)(H)3	O(CH3)(NN)	H(CHHO)	109.4677	0.030	15	109.4677	0.001	15	109.4573	0.237	205	109.4573	0.237	205	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:C-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(C)(H)2	O(CCHH)(CCO)	H(CCHO)	C(OC)(C)(H)2	O(CCHH)(CCO)	H(CCHO)	112.2270	0.093	2	112.2270	0.009	2	112.2270	0.009	2	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:Cl-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(Cl)(H)2	O(CClHH)(COO)	H(CClHO)	C(OC)(Cl)(H)2	O(CClHH)(COO)	H(CClHO)	109.5220	0.059	2	109.5220	0.004	2	109.5220	0.004	2	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CBO)	H(CHHO)	C(OC)(H)3	O(CH3)(CBO)	H(CHHO)	110.9623	0.276	3	110.9623	0.076	3	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CCC)	H(CHHO)	C(OC)(H)3	O(CH3)(CCC)	H(CHHO)	109.5567	1.891	85	109.5567	3.576	85	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CCH)	H(CHHO)	C(OC)(H)3	O(CH3)(CCH)	H(CHHO)	109.4303	0.577	44	109.4303	0.332	44	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CCN)	H(CHHO)	C(OC)(H)3	O(CH3)(CCN)	H(CHHO)	109.3124	2.079	101	109.3124	4.321	101	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CCO)	H(CHHO)	C(OC)(H)3	O(CH3)(CCO)	H(CHHO)	109.3910	1.044	9224	109.3910	1.090	9224	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CCW)	H(CHHO)	C(OC)(H)3	O(CH3)(CCW)	H(CHHO)	109.4716	0.019	5	109.4716	0.000	5	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CHH)	H(CHHO)	C(OC)(H)3	O(CH3)(CHH)	H(CHHO)	109.4724	0.349	5	109.4724	0.122	5	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CHN)	H(CHHO)	C(OC)(H)3	O(CH3)(CHN)	H(CHHO)	109.4763	0.024	3	109.4763	0.001	3	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CHO)	H(CHHO)	C(OC)(H)3	O(CH3)(CHO)	H(CHHO)	109.4878	0.056	11	109.4878	0.003	11	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CNN)	H(CHHO)	C(OC)(H)3	O(CH3)(CNN)	H(CHHO)	109.4487	0.503	62	109.4487	0.253	62	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CNO)	H(CHHO)	C(OC)(H)3	O(CH3)(CNO)	H(CHHO)	109.4134	0.972	427	109.4134	0.944	427	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CNS)	H(CHHO)	C(OC)(H)3	O(CH3)(CNS)	H(CHHO)	109.4042	0.846	53	109.4042	0.716	53	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(COO)	H(CHHO)	C(OC)(H)3	O(CH3)(COO)	H(CHHO)	109.5829	0.948	70	109.5829	0.899	70	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(COS)	H(CHHO)	C(OC)(H)3	O(CH3)(COS)	H(CHHO)	109.3064	2.550	24	109.3064	6.502	24	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(H)3	O(CH3)(CSS)	H(CHHO)	C(OC)(H)3	O(CH3)(CSS)	H(CHHO)	109.4803	0.351	24	109.4803	0.123	24	109.3952	1.133	10141	109.3958	1.134	10145	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	C-2:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[3,5,5,6]O)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[3,5,5,6]O)(CCHH)	H(CCHO)	109.7565	0.049	2	109.7565	0.002	2	109.4704	2.210	38	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	C-2:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	110.1470	0.052	2	110.1470	0.003	2	109.4704	2.210	38	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	C-2:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	107.3130	4.171	4	107.3130	17.400	4	109.4704	2.210	38	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	C-2:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.2030	1.095	2	109.2030	1.198	2	109.4704	2.210	38	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	C-2:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.6619	0.448	26	109.6619	0.201	26	109.4704	2.210	38	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	C-2:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.6010	0.016	2	110.6010	0.000	2	109.4704	2.210	38	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:C-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CC)(H)2	O(C[5a]C[5a,6a]2)(CCHH)	H(CCHO)	C(OC[5a])(CC)(H)2	O(C[5a]C[5a,6a]2)(CCHH)	H(CCHO)	109.4432	1.039	4	109.4432	1.080	4	109.4432	1.080	4	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:C-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CC)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CC)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	109.5886	0.731	7	109.5886	0.535	7	109.5886	0.535	7	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:C-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CC)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CC)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	H(CCHO)	110.2745	0.025	2	110.2745	0.001	2	109.4769	0.672	287	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:C-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CC)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CC)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	109.0510	0.077	6	109.0510	0.006	6	109.4769	0.672	287	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:C-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CC)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CC)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.5053	0.787	235	109.5053	0.619	235	109.4769	0.672	287	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:C-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CC)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CC)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	109.0900	0.033	2	109.0900	0.001	2	109.4769	0.672	287	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:C-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CN)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CN)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.3674	1.046	41	109.3674	1.095	41	109.4769	0.672	287	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:C-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CN)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CN)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	109.0270	0.000	1	109.0270	0.000	1	109.4769	0.672	287	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:H-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(HH)(H)2	O(C[6a]C[6a]2)(CH3)	H(CHHO)	C(OC[6a])(HH)(H)2	O(C[6a]C[6a]2)(CH3)	H(CHHO)	117.8255	1.992	2	117.8255	3.968	2	117.8255	3.968	2	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	B-3:C-4:	C-4:	C(OB)2(H)2	O(BC[6a]2)(CHHO)	H(CHOO)	C(OB)2(H)2	O(BC[6a]2)(CHHO)	H(CHOO)	110.7513	0.014	3	110.7513	0.000	3	110.7513	0.000	3	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(OC)2(H)2	O(CC[5]O)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[5]O)(CHHO)	H(CHOO)	110.0870	0.035	2	110.0870	0.001	2	109.0696	5.803	19	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(OC)2(H)2	O(CC[6a]O)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[6a]O)(CHHO)	H(CHOO)	108.9499	2.527	17	108.9499	6.384	17	109.0696	5.803	19	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6])(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6])(CHHO)	H(CHOO)	109.0220	0.028	2	109.0220	0.001	2	108.7878	0.182	4	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[6]2)(CHHO)	H(CHOO)	108.5535	0.571	2	108.5535	0.326	2	108.7878	0.182	4	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[5,6a]C[6a])(CHHO)	H(CHOO)	C(OC[6a])(OC)(H)2	O(C[6a]C[5,6a]C[6a])(CHHO)	H(CHOO)	108.9795	0.316	4	108.9795	0.100	4	109.0611	1.181	386	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6,6,6a]C[6a])(CHHO)	H(CHOO)	C(OC[6a])(OC)(H)2	O(C[6a]C[6,6,6a]C[6a])(CHHO)	H(CHOO)	109.0505	0.070	4	109.0505	0.005	4	109.0611	1.181	386	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6,6a]C[6a])(CHHO)	H(CHOO)	C(OC[6a])(OC)(H)2	O(C[6a]C[6,6a]C[6a])(CHHO)	H(CHOO)	109.0449	0.243	15	109.0449	0.059	15	109.0611	1.181	386	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	H(CHOO)	C(OC[6a])(OC)(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	H(CHOO)	107.7949	2.048	15	107.7949	4.194	15	109.0611	1.181	386	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6a]2)(CHHO)	H(CHOO)	C(OC[6a])(OC)(H)2	O(C[6a]C[6a]2)(CHHO)	H(CHOO)	109.1434	1.049	157	109.1434	1.101	157	109.0611	1.181	386	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])2(H)2	O(C[6a]C[6,6a]C[6a])(CHHO)	H(CHOO)	C(OC[6a])2(H)2	O(C[6a]C[6,6a]C[6a])(CHHO)	H(CHOO)	109.2897	0.109	4	109.2897	0.012	4	109.0611	1.181	386	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])2(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	H(CHOO)	C(OC[6a])2(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	H(CHOO)	109.2254	0.076	7	109.2254	0.006	7	109.0611	1.181	386	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])2(H)2	O(C[6a]C[6a]2)(CHHO)	H(CHOO)	C(OC[6a])2(H)2	O(C[6a]C[6a]2)(CHHO)	H(CHOO)	109.0867	1.050	180	109.0867	1.103	180	109.0611	1.181	386	109.2768	1.375	750	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	4:2:	4:	O-2:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(ON)2(H)2	O(CHHO)(NC)	H(CHOO)	C(ON)2(H)2	O(CHHO)(NC)	H(CHOO)	109.1613	0.041	3	109.1613	0.002	3	109.1613	0.002	3	109.1613	0.002	3	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	4:3:	4:	C-2:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.7086	0.626	25	109.7086	0.392	25	109.0685	2.963	61	109.0970	3.878	86	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	4:3:	4:	C-2:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CC)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.1827	1.593	13	109.1827	2.537	13	109.0685	2.963	61	109.0970	3.878	86	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	4:3:	4:	C-2:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	C(CC)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	108.3083	2.279	23	108.3083	5.193	23	109.0685	2.963	61	109.0970	3.878	86	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	4:3:	4:	O-2:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(OP)(H)2	O(CHHO)(CCO)	H(CHOO)	C(OC)(OP)(H)2	O(CHHO)(CCO)	H(CHOO)	107.7306	3.363	7	107.7306	11.313	7	109.1664	6.321	25	109.0970	3.878	86	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	4:3:	4:	O-2:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(OC)2(H)2	O(CHHO)(CCO)	H(CHOO)	C(OC)2(H)2	O(CHHO)(CCO)	H(CHOO)	109.5878	2.394	12	109.5878	5.730	12	109.1664	6.321	25	109.0970	3.878	86	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:1:1:	4:3:	4:	O-2:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(OC)2(H)2	O(CHHO)(CNO)	H(CHOO)	C(OC)2(H)2	O(CHHO)(CNO)	H(CHOO)	109.9990	0.119	6	109.9990	0.014	6	109.1664	6.321	25	109.0970	3.878	86	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:3:1:	3:4:	4:	O-2:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])2(COO)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	C(OC[6a])2(COO)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	109.2987	1.761	6	109.2987	3.102	6	109.2987	3.102	6	109.2987	3.102	6	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:2:4:1:	3:4:	4:	O-2:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])2(CCHH)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	C(OC[6a])2(CCHH)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	105.9360	0.006	2	105.9360	0.000	2	105.9360	0.000	2	105.9360	0.000	2	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	B[6a]-3:C-4:	C-4:	C(OB[6a])(COO)(H)2	O(B[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OB[6a])(COO)(H)2	O(B[6a]C[6a]N[6a])(CCHH)	H(CCHO)	110.3865	1.976	2	110.3865	3.906	2	110.3865	3.906	2	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CCH)(H)2	O(C[5]C[5,6a]C[5])(CCHH)	H(CCHO)	C(OC[5])(CCH)(H)2	O(C[5]C[5,6a]C[5])(CCHH)	H(CCHO)	109.3398	0.096	4	109.3398	0.009	4	109.3882	4.101	14	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CCH)(H)2	O(C[5]C[5,6a]N[5])(CCHH)	H(CCHO)	C(OC[5])(CCH)(H)2	O(C[5]C[5,6a]N[5])(CCHH)	H(CCHO)	109.5030	3.867	4	109.5030	14.957	4	109.3882	4.101	14	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CCH)(H)2	O(C[5]C[5]2)(CCHH)	H(CCHO)	C(OC[5])(CCH)(H)2	O(C[5]C[5]2)(CCHH)	H(CCHO)	109.7315	0.187	4	109.7315	0.035	4	109.3882	4.101	14	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CHH)(H)2	O(C[5]C[5]2)(CCHH)	H(CCHO)	C(OC[5])(CHH)(H)2	O(C[5]C[5]2)(CCHH)	H(CCHO)	108.5690	2.537	2	108.5690	6.437	2	109.3882	4.101	14	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CCH)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	H(CCHO)	C(OC[5a])(CCH)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	H(CCHO)	108.2620	0.000	1	108.2620	0.000	1	109.6333	0.704	18	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CCH)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	C(OC[5a])(CCH)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	109.2980	0.000	1	109.2980	0.000	1	109.6333	0.704	18	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CNO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	C(OC[5a])(CNO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	109.4430	1.962	2	109.4430	3.848	2	109.6333	0.704	18	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CNO)(H)2	O(C[5a]N[5a]S[5a])(CCHH)	H(CCHO)	C(OC[5a])(CNO)(H)2	O(C[5a]N[5a]S[5a])(CCHH)	H(CCHO)	110.0312	0.617	8	110.0312	0.380	8	109.6333	0.704	18	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(COO)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	H(CCHO)	C(OC[5a])(COO)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	H(CCHO)	109.3225	0.011	2	109.3225	0.000	2	109.6333	0.704	18	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(COO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	C(OC[5a])(COO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	109.5145	0.791	4	109.5145	0.626	4	109.6333	0.704	18	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCH)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CCH)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	110.1107	0.525	11	110.1107	0.276	11	110.1107	0.276	11	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	110.2900	0.013	3	110.2900	0.000	3	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	110.1415	0.006	2	110.1415	0.000	2	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.7874	0.907	70	109.7874	0.822	70	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCH)(H)2	O(C[6a]C[5a,6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCH)(H)2	O(C[6a]C[5a,6a]2)(CCHH)	H(CCHO)	109.8245	0.013	2	109.8245	0.000	2	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCH)(H)2	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	H(CCHO)	C(OC[6a])(CCH)(H)2	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	H(CCHO)	110.6360	0.006	2	110.6360	0.000	2	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	109.9797	0.074	4	109.9797	0.005	4	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	110.0968	0.238	4	110.0968	0.057	4	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.8247	0.800	204	109.8247	0.639	204	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	109.0085	0.211	2	109.0085	0.045	2	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCI)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCI)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	108.7888	0.188	6	108.7888	0.035	6	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.3483	2.098	13	109.3483	4.400	13	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CNO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CNO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	109.5330	0.020	2	109.5330	0.000	2	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	109.5214	0.476	12	109.5214	0.227	12	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	109.3832	0.490	89	109.3832	0.240	89	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.5466	1.150	385	109.5466	1.323	385	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	110.0406	0.056	5	110.0406	0.003	5	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]N[6a])(CCHH)	H(CCHO)	108.5438	0.101	4	108.5438	0.010	4	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(COO)(H)2	O(C[6a]C[6,6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(COO)(H)2	O(C[6a]C[6,6,6a]C[6a])(CCHH)	H(CCHO)	109.2467	0.093	3	109.2467	0.009	3	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(COO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(COO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	109.9065	0.022	2	109.9065	0.000	2	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	109.6223	0.843	18	109.6223	0.711	18	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.5217	0.864	563	109.5217	0.747	563	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	109.2308	1.537	10	109.2308	2.363	10	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(COO)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(COO)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	109.3050	0.000	1	109.3050	0.000	1	109.5770	0.900	1406	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:1:1:	3:4:	4:	O-2:O-3:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(OFeC)(H)2	O(C[6]C[6]N[6])(CHHO)	H(CHOO)	C(OC[6])(OFeC)(H)2	O(C[6]C[6]N[6])(CHHO)	H(CHOO)	109.2927	0.006	3	109.2927	0.000	3	109.2927	0.000	3	109.5805	0.923	1454	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:2:1:	3:4:	4:	O-2:C-3:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCO)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	C(OC[6a])(CCO)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:2:1:	4:3:	4:	S-2:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(SC[6a])(CNO)(OC)(H)	O(CCHS)(CCO)	H(CCOS)	C(SC[6a])(CNO)(OC)(H)	O(CCHS)(CCO)	H(CCOS)	107.0560	0.000	1	107.0560	0.000	1	107.0560	0.000	1	107.0560	0.000	1	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:3:1:	3:4:	4:	O-2:C-3:C-3:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CCO)2(H)	O(C[5]C[5,6a]N[5])(CCCH)	H(CCCO)	C(OC[5])(CCO)2(H)	O(C[5]C[5,6a]N[5])(CCCH)	H(CCCO)	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	109.0733	0.737	3	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:3:3:1:	3:4:	4:	O-2:C-3:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCH)(COO)(H)	O(C[6a]C[6a]N[6a])(CCCH)	H(CCCO)	C(OC[6a])(CCH)(COO)(H)	O(C[6a]C[6a]N[6a])(CCCH)	H(CCCO)	109.5195	0.528	2	109.5195	0.279	2	109.5195	0.279	2	109.0733	0.737	3	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[4]-3:C-4:	C-4:	C(OC[4])(CCCH)(H)2	O(C[4]S[4]2)(CCHH)	H(CCHO)	C(OC[4])(CCCH)(H)2	O(C[4]S[4]2)(CCHH)	H(CCHO)	109.7463	0.294	6	109.7463	0.087	6	109.9954	0.107	14	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[4]-3:C-4:	C-4:	C(OC[4])(CCHH)(H)2	O(C[4]S[4]2)(CCHH)	H(CCHO)	C(OC[4])(CCHH)(H)2	O(C[4]S[4]2)(CCHH)	H(CCHO)	110.1822	0.208	8	110.1822	0.043	8	109.9954	0.107	14	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[4a]-3:C-4:	C-4:	C(OC[4a])(CCHH)(H)2	O(C[4a]C[4a]2)(CCHH)	H(CCHO)	C(OC[4a])(CCHH)(H)2	O(C[4a]C[4a]2)(CCHH)	H(CCHO)	110.3130	0.000	1	110.3130	0.000	1	110.2642	0.108	21	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[4a]-3:C-4:	C-4:	C(OC[4a])(CH3)(H)2	O(C[4a]C[4a]2)(CCHH)	H(CCHO)	C(OC[4a])(CH3)(H)2	O(C[4a]C[4a]2)(CCHH)	H(CCHO)	110.2618	0.338	20	110.2618	0.114	20	110.2642	0.108	21	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6]C[5])(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6]C[5])(CCHH)	H(CCHO)	110.4245	0.009	2	110.4245	0.000	2	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5]2)(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5]2)(CCHH)	H(CCHO)	109.9420	0.021	2	109.9420	0.000	2	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5]N[5])(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5]N[5])(CCHH)	H(CCHO)	110.1553	0.110	3	110.1553	0.012	3	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5])(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5])(CCHH)	H(CCHO)	108.3865	1.262	4	108.3865	1.591	4	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]N[5])(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]N[5])(CCHH)	H(CCHO)	110.2550	0.011	2	110.2550	0.000	2	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]N[5])(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]N[5])(CCHH)	H(CCHO)	110.0733	0.200	4	110.0733	0.040	4	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5]2)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5]2)(CCHH)	H(CCHO)	110.0646	0.405	9	110.0646	0.164	9	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5]N[5])(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5]N[5])(CCHH)	H(CCHO)	110.0391	0.933	13	110.0391	0.870	13	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5])(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5])(CCHH)	H(CCHO)	110.2659	0.197	26	110.2659	0.039	26	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]N[5]O[5])(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]N[5]O[5])(CCHH)	H(CCHO)	109.7165	0.650	4	109.7165	0.423	4	110.0350	0.471	69	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CC3)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	H(CCHO)	C(OC[5a])(CC3)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	H(CCHO)	108.8640	0.023	2	108.8640	0.001	2	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CCCH)(H)2	O(C[5a]C[5a]2)(CCHH)	H(CCHO)	C(OC[5a])(CCCH)(H)2	O(C[5a]C[5a]2)(CCHH)	H(CCHO)	109.6363	0.579	6	109.6363	0.335	6	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CCHH)(H)2	O(C[5a]C[5a,6a]N[5a])(CCHH)	H(CCHO)	C(OC[5a])(CCHH)(H)2	O(C[5a]C[5a,6a]N[5a])(CCHH)	H(CCHO)	110.2640	0.007	2	110.2640	0.000	2	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CCHH)(H)2	O(C[5a]C[5a]2)(CCHH)	H(CCHO)	C(OC[5a])(CCHH)(H)2	O(C[5a]C[5a]2)(CCHH)	H(CCHO)	109.4157	1.391	28	109.4157	1.936	28	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CCHH)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	C(OC[5a])(CCHH)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	107.0676	2.415	10	107.0676	5.834	10	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CCHH)(H)2	O(C[5a]N[5a]2)(CCHH)	H(CCHO)	C(OC[5a])(CCHH)(H)2	O(C[5a]N[5a]2)(CCHH)	H(CCHO)	109.8040	0.042	2	109.8040	0.002	2	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CF3)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	H(CCHO)	C(OC[5a])(CF3)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	H(CCHO)	110.4241	0.111	12	110.4241	0.012	12	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CH3)(H)2	O(C[5a]C[5a]2)(CCHH)	H(CCHO)	C(OC[5a])(CH3)(H)2	O(C[5a]C[5a]2)(CCHH)	H(CCHO)	109.8164	0.284	5	109.8164	0.081	5	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CH3)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	C(OC[5a])(CH3)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	109.7307	0.222	19	109.7307	0.049	19	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CH3)(H)2	O(C[5a]C[5a]O[5a])(CCHH)	H(CCHO)	C(OC[5a])(CH3)(H)2	O(C[5a]C[5a]O[5a])(CCHH)	H(CCHO)	110.1915	0.059	4	110.1915	0.003	4	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CH3)(H)2	O(C[5a]C[5a]S[5a])(CCHH)	H(CCHO)	C(OC[5a])(CH3)(H)2	O(C[5a]C[5a]S[5a])(CCHH)	H(CCHO)	109.9713	0.510	7	109.9713	0.260	7	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CH3)(H)2	O(C[5a]N[5a,6a]C[5a])(CCHH)	H(CCHO)	C(OC[5a])(CH3)(H)2	O(C[5a]N[5a,6a]C[5a])(CCHH)	H(CCHO)	110.6335	0.009	2	110.6335	0.000	2	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CH3)(H)2	O(C[5a]N[5a]2)(CCHH)	H(CCHO)	C(OC[5a])(CH3)(H)2	O(C[5a]N[5a]2)(CCHH)	H(CCHO)	109.6376	1.029	19	109.6376	1.058	19	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CH3)(H)2	O(C[5a]N[5a]S[5a])(CCHH)	H(CCHO)	C(OC[5a])(CH3)(H)2	O(C[5a]N[5a]S[5a])(CCHH)	H(CCHO)	110.2778	0.142	6	110.2778	0.020	6	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CHHO)(H)2	O(C[5a]C[5a]2)(CCHH)	H(CCHO)	C(OC[5a])(CHHO)(H)2	O(C[5a]C[5a]2)(CCHH)	H(CCHO)	110.1916	0.192	20	110.1916	0.037	20	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CHHO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	C(OC[5a])(CHHO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	107.0325	0.439	4	107.0325	0.192	4	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(CHHO)(H)2	O(C[5a]N[5a,6]C[5a])(CCHH)	H(CCHO)	C(OC[5a])(CHHO)(H)2	O(C[5a]N[5a,6]C[5a])(CCHH)	H(CCHO)	110.0340	0.010	2	110.0340	0.000	2	109.5846	1.655	150	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6,6]-3:C-4:	C-4:	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[3x6]N[6,6])(CCHH)	H(CCHO)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[3x6]N[6,6])(CCHH)	H(CCHO)	110.1805	0.032	4	110.1805	0.001	4	110.1805	0.001	4	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CC3)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CC3)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	109.9066	0.896	20	109.9066	0.804	20	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCCH)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CCCH)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	109.9040	0.137	6	109.9040	0.019	6	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCCN)(H)2	O(C[6]C[6]N[6])(CCHH)	H(CCHO)	C(OC[6])(CCCN)(H)2	O(C[6]C[6]N[6])(CCHH)	H(CCHO)	108.7855	0.052	2	108.7855	0.003	2	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6]C[6])(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6]C[6])(CCHH)	H(CCHO)	110.3260	0.062	6	110.3260	0.004	6	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	109.9994	1.271	86	109.9994	1.614	86	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6]N[6])(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]N[6])(CCHH)	H(CCHO)	110.1769	0.313	8	110.1769	0.098	8	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]N[6]2)(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]N[6]2)(CCHH)	H(CCHO)	109.5415	0.029	2	109.5415	0.001	2	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCHN)(H)2	O(C[6]C[6]N[6])(CCHH)	H(CCHO)	C(OC[6])(CCHN)(H)2	O(C[6]C[6]N[6])(CCHH)	H(CCHO)	109.3360	0.098	6	109.3360	0.010	6	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCHO)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CCHO)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	109.3196	13.334	2	109.3196	177.789	2	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6])(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6])(CCHH)	H(CCHO)	110.0650	0.334	2	110.0650	0.111	2	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]N[6])(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]N[6])(CCHH)	H(CCHO)	110.2701	0.062	7	110.2701	0.004	7	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[5a,6]2)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[5a,6]2)(CCHH)	H(CCHO)	110.5677	0.074	4	110.5677	0.006	4	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]C[6])(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]C[6])(CCHH)	H(CCHO)	109.5757	0.903	6	109.5757	0.815	6	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6,6a]C[6])(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6a]C[6])(CCHH)	H(CCHO)	110.2127	0.108	4	110.2127	0.012	4	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	109.8945	1.259	36	109.8945	1.586	36	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6])(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6])(CCHH)	H(CCHO)	109.7512	0.858	13	109.7512	0.737	13	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6])(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6])(CCHH)	H(CCHO)	110.2340	0.376	11	110.2340	0.142	11	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]N[6]2)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]N[6]2)(CCHH)	H(CCHO)	109.8070	0.220	4	109.8070	0.049	4	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]O[6]2)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]O[6]2)(CCHH)	H(CCHO)	110.2865	0.009	2	110.2865	0.000	2	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CHHN)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CHHN)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	109.9340	0.008	2	109.9340	0.000	2	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	109.5319	1.098	31	109.5319	1.205	31	109.9057	1.758	260	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CBrHH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CBrHH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	110.6540	0.006	2	110.6540	0.000	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CBrHH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CBrHH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.9318	0.495	20	109.9318	0.245	20	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CC3)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CC3)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.6890	1.121	140	109.6890	1.257	140	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCCH)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCCH)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	109.3740	0.064	4	109.3740	0.004	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCCH)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCCH)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	H(CCHO)	109.5692	0.370	18	109.5692	0.137	18	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCCH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCCH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	110.1206	0.242	99	110.1206	0.059	99	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCCH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCCH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.8915	0.426	94	109.8915	0.182	94	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCCH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCCH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	110.1993	0.088	7	110.1993	0.008	7	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCCN)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCCN)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.2876	0.242	7	110.2876	0.059	7	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCFF)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCFF)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.8360	0.014	2	109.8360	0.000	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCFH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCFH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.0800	0.037	2	110.0800	0.001	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5,6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5,6a]2)(CCHH)	H(CCHO)	110.2430	0.263	4	110.2430	0.069	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	110.0523	0.431	46	110.0523	0.186	46	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5a,6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5a,6a]2)(CCHH)	H(CCHO)	109.6835	0.241	4	109.6835	0.058	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	H(CCHO)	109.7098	0.517	6	109.7098	0.267	6	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	H(CCHO)	109.2305	0.975	4	109.2305	0.950	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6,6,6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6,6,6a]2)(CCHH)	H(CCHO)	109.6665	0.018	2	109.6665	0.000	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	109.6734	0.564	37	109.6734	0.318	37	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	110.2796	0.177	20	110.2796	0.031	20	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	109.8319	0.724	92	109.8319	0.524	92	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.9489	0.776	2177	109.9489	0.602	2177	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	109.9037	0.837	53	109.9037	0.700	53	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCHH)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	109.7398	0.444	12	109.7398	0.197	12	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHN)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCHN)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	108.9770	0.006	2	108.9770	0.000	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHN)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCHN)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.5542	0.865	20	109.5542	0.748	20	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHO)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCHO)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	H(CCHO)	110.1665	0.022	4	110.1665	0.000	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	110.3152	0.205	24	110.3152	0.042	24	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCHO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.0334	0.664	112	110.0334	0.441	112	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CClHH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CClHH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	110.5035	0.005	2	110.5035	0.000	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CClHH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CClHH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	110.4315	0.052	2	110.4315	0.003	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CClHH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CClHH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.1209	0.192	11	110.1209	0.037	11	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCo2C)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CCo2C)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	109.6118	0.209	4	109.6118	0.044	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCoOO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CCoOO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	108.5070	0.027	2	108.5070	0.001	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CEuOO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CEuOO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	108.4932	0.085	5	108.4932	0.007	5	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CF3)(H)2	O(C[6a]C[6a,6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CF3)(H)2	O(C[6a]C[6a,6a]N[6a])(CCHH)	H(CCHO)	110.5357	0.116	4	110.5357	0.013	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CF3)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CF3)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	111.3489	1.307	16	111.3489	1.707	16	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CF3)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CF3)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	110.3352	0.058	5	110.3352	0.003	5	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CF3)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CF3)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	110.6510	0.010	2	110.6510	0.000	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CFFH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CFFH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.3995	0.046	4	110.3995	0.002	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CFHH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CFHH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.1935	0.071	2	110.1935	0.005	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CFNN)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CFNN)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	111.0023	0.285	4	111.0023	0.081	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	109.9360	0.607	32	109.9360	0.368	32	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	H(CCHO)	109.7929	0.544	44	109.7929	0.296	44	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	110.1947	0.160	29	110.1947	0.025	29	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]C[6,6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]C[6,6a]N[6a])(CCHH)	H(CCHO)	110.0867	0.293	8	110.0867	0.086	8	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	H(CCHO)	109.6435	0.013	2	109.6435	0.000	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	110.0882	0.335	10	110.0882	0.113	10	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a,6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a,6a]N[6a])(CCHH)	H(CCHO)	110.2716	0.136	16	110.2716	0.018	16	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.0078	0.880	1532	110.0078	0.774	1532	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	110.0945	1.014	41	110.0945	1.029	41	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CH3)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	107.1299	2.380	9	107.1299	5.663	9	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHN)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CHHN)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	110.3917	0.874	10	110.3917	0.763	10	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHN)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CHHN)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.1927	0.853	585	110.1927	0.727	585	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6,6,6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6,6,6a]2)(CCHH)	H(CCHO)	109.4760	0.263	4	109.4760	0.069	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	109.9006	0.673	139	109.9006	0.453	139	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	109.5340	0.529	3	109.5340	0.280	3	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	109.9268	0.508	112	109.9268	0.258	112	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.9891	0.909	2577	109.9891	0.827	2577	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	108.3786	2.770	15	108.3786	7.670	15	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	110.1923	0.227	13	110.1923	0.052	13	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHP)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CHHP)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	110.0181	0.452	8	110.0181	0.204	8	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHP)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CHHP)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.2974	0.372	27	110.2974	0.139	27	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHS)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CHHS)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.9976	2.122	27	109.9976	4.501	27	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CMo2C)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(OC[6a])(CMo2C)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	110.7495	0.033	2	110.7495	0.001	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CN3)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CN3)(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	110.6700	0.006	2	110.6700	0.000	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CRuCH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CRuCH)(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.1890	0.160	4	110.1890	0.026	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CSeHH)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	C(OC[6a])(CSeHH)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	110.0905	0.108	4	110.0905	0.012	4	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CSiHH)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CSiHH)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	H(CCHO)	110.4765	0.037	2	110.4765	0.001	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CSiHH)(H)2	O(C[6a]C[6a,6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CSiHH)(H)2	O(C[6a]C[6a,6a]N[6a])(CCHH)	H(CCHO)	110.2985	0.026	2	110.2985	0.001	2	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CSiHH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(OC[6a])(CSiHH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	109.2803	0.569	10	109.2803	0.324	10	109.9842	0.738	8346	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:P-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(PCCO)(H)2	O(C[6a]C[6a]2)(CHHP)	H(CHOP)	C(OC[6a])(PCCO)(H)2	O(C[6a]C[6a]2)(CHHP)	H(CHOP)	109.1589	0.634	8	109.1589	0.402	8	109.6196	0.476	16	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:P-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(PO3)(H)2	O(C[6a]C[6a,6a]C[6a])(CHHP)	H(CHOP)	C(OC[6a])(PO3)(H)2	O(C[6a]C[6a,6a]C[6a])(CHHP)	H(CHOP)	110.0802	0.364	8	110.0802	0.132	8	109.6196	0.476	16	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:S-4:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(OC[5a])(SCOO)(H)2	O(C[5a]N[5a]2)(CHHS)	H(CHOS)	C(OC[5a])(SCOO)(H)2	O(C[5a]N[5a]2)(CHHS)	H(CHOS)	110.5295	4.252	2	110.5295	18.078	2	110.5295	18.078	2	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:1:1:	3:4:	4:	O-2:Si-4:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(SiC3)(H)2	O(C[6a]C[6a]2)(CSiHH)	H(CSiHO)	C(OC[6a])(SiC3)(H)2	O(C[6a]C[6a]2)(CSiHH)	H(CSiHO)	110.0383	0.353	6	110.0383	0.125	6	110.0383	0.125	6	109.9759	0.782	8888	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:2:1:	3:4:	4:	O-2:C-4:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCCH)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	C(OC[6a])(CCCH)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	107.1720	0.000	1	107.1720	0.000	1	110.0620	3.799	4	110.0620	3.799	4	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:2:1:	3:4:	4:	O-2:C-4:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	C(OC[6a])(CCHH)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	110.6100	0.000	1	110.6100	0.000	1	110.0620	3.799	4	110.0620	3.799	4	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:2:1:	3:4:	4:	O-2:C-4:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	C(OC[6a])(CH3)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	H(CCOO)	111.2330	0.037	2	111.2330	0.001	2	110.0620	3.799	4	110.0620	3.799	4	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:2:1:	4:3:	4:	O-2:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(OC[6a])(CH3)(OC)(H)	O(CCHO)(COO)	H(CCOO)	C(OC[6a])(CH3)(OC)(H)	O(CCHO)(COO)	H(CCOO)	111.3020	0.071	2	111.3020	0.005	2	111.3020	0.005	2	111.3020	0.005	2	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:3:1:	3:4:	4:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(OC[6a])(CCHH)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	108.8690	0.000	1	108.8690	0.000	1	109.5147	2.097	57	109.5147	2.097	57	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:3:1:	3:4:	4:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a,6a]C[6a])(CCCH)	H(CCCO)	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a,6a]C[6a])(CCCH)	H(CCCO)	107.5720	0.106	2	107.5720	0.011	2	109.5147	2.097	57	109.5147	2.097	57	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:3:1:	3:4:	4:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	107.7602	1.340	13	107.7602	1.796	13	109.5147	2.097	57	109.5147	2.097	57	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:3:1:	3:4:	4:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(OC[6a])(CH3)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	110.1884	0.871	40	110.1884	0.758	40	109.5147	2.097	57	109.5147	2.097	57	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:3:1:	3:4:	4:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHN)(CCH)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(OC[6a])(CHHN)(CCH)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	109.9030	0.000	1	109.9030	0.000	1	109.5147	2.097	57	109.5147	2.097	57	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[4]-3:C-4:	C-4:	C(OC[4])(CH3)2(H)	O(C[4]S[4]2)(CCCH)	H(CCCO)	C(OC[4])(CH3)2(H)	O(C[4]S[4]2)(CCCH)	H(CCCO)	109.8957	0.100	3	109.8957	0.010	3	109.8957	0.010	3	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[4a]-3:C-4:	C-4:	C(OC[4a])(CH3)2(H)	O(C[4a]C[4a]2)(CCCH)	H(CCCO)	C(OC[4a])(CH3)2(H)	O(C[4a]C[4a]2)(CCCH)	H(CCCO)	107.6005	2.019	2	107.6005	4.076	2	107.6005	4.076	2	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)2(H)	O(C[5]C[5,6a]N[5])(CCCH)	H(CCCO)	C(OC[5])(CH3)2(H)	O(C[5]C[5,6a]N[5])(CCCH)	H(CCCO)	109.7600	0.000	1	109.7600	0.000	1	109.8080	0.236	13	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)2(H)	O(C[5]C[5]2)(CCCH)	H(CCCO)	C(OC[5])(CH3)2(H)	O(C[5]C[5]2)(CCCH)	H(CCCO)	109.6920	0.115	2	109.6920	0.013	2	109.8080	0.236	13	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[5]-3:C-4:	C-4:	C(OC[5])(CH3)2(H)	O(C[5]N[5]O[5])(CCCH)	H(CCCO)	C(OC[5])(CH3)2(H)	O(C[5]N[5]O[5])(CCCH)	H(CCCO)	109.8360	0.556	10	109.8360	0.309	10	109.8080	0.236	13	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CCCO)(CCHH)(H)	O(C[6]C[6,6]C[6])(CCCH)	H(CCCO)	C(OC[6])(CCCO)(CCHH)(H)	O(C[6]C[6,6]C[6])(CCCH)	H(CCCO)	109.1180	0.000	2	109.1180	0.000	2	109.6774	0.633	12	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)2(H)	O(C[6]C[6,6a]C[6])(CCCH)	H(CCCO)	C(OC[6])(CH3)2(H)	O(C[6]C[6,6a]C[6])(CCCH)	H(CCCO)	109.3210	0.000	1	109.3210	0.000	1	109.6774	0.633	12	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)2(H)	O(C[6]C[6]2)(CCCH)	H(CCCO)	C(OC[6])(CH3)2(H)	O(C[6]C[6]2)(CCCH)	H(CCCO)	109.8055	0.941	6	109.8055	0.885	6	109.6774	0.633	12	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)2(H)	O(C[6]C[6]N[6])(CCCH)	H(CCCO)	C(OC[6])(CH3)2(H)	O(C[6]C[6]N[6])(CCCH)	H(CCCO)	109.4275	0.334	2	109.4275	0.112	2	109.6774	0.633	12	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6]-3:C-4:	C-4:	C(OC[6])(CH3)2(H)	O(C[6]N[6]2)(CCCH)	H(CCCO)	C(OC[6])(CH3)2(H)	O(C[6]N[6]2)(CCCH)	H(CCCO)	110.8840	0.000	1	110.8840	0.000	1	109.6774	0.633	12	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCCH)(CHHN)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(OC[6a])(CCCH)(CHHN)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	109.5660	0.000	1	109.5660	0.000	1	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(OC[6a])(CCHH)(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	109.0658	0.802	15	109.0658	0.643	15	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)2(H)	O(C[6a]C[6,6a]C[6a])(CCCH)	H(CCCO)	C(OC[6a])(CCHH)2(H)	O(C[6a]C[6,6a]C[6a])(CCCH)	H(CCCO)	109.0545	0.269	2	109.0545	0.073	2	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHH)2(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(OC[6a])(CCHH)2(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	108.6620	0.352	2	108.6620	0.124	2	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CCHO)(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(OC[6a])(CCHO)(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	108.7367	1.210	12	108.7367	1.465	12	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)2(H)	O(C[6a]C[5,6a]C[6a])(CCCH)	H(CCCO)	C(OC[6a])(CH3)2(H)	O(C[6a]C[5,6a]C[6a])(CCCH)	H(CCCO)	109.2500	0.000	1	109.2500	0.000	1	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)2(H)	O(C[6a]C[5a,6a]C[6a])(CCCH)	H(CCCO)	C(OC[6a])(CH3)2(H)	O(C[6a]C[5a,6a]C[6a])(CCCH)	H(CCCO)	107.6210	0.000	1	107.6210	0.000	1	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)2(H)	O(C[6a]C[6a,6a]C[6a])(CCCH)	H(CCCO)	C(OC[6a])(CH3)2(H)	O(C[6a]C[6a,6a]C[6a])(CCCH)	H(CCCO)	109.3287	0.637	4	109.3287	0.406	4	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)2(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(OC[6a])(CH3)2(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	109.5102	0.750	115	109.5102	0.562	115	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CH3)2(H)	O(C[6a]C[6a]N[6a])(CCCH)	H(CCCO)	C(OC[6a])(CH3)2(H)	O(C[6a]C[6a]N[6a])(CCCH)	H(CCCO)	109.7052	0.091	5	109.7052	0.008	5	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(OC[6a])(CHHO)(CH3)(H)	O(C[6a]C[6a]N[6a])(CCCH)	H(CCCO)	C(OC[6a])(CHHO)(CH3)(H)	O(C[6a]C[6a]N[6a])(CCCH)	H(CCCO)	109.2180	0.000	1	109.2180	0.000	1	109.3801	0.658	159	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	Ge[6]-3:C-4:	C-4:	C(OGe[6])(CH3)2(H)	O(Ge[6]N[6]2)(CCCH)	H(CCCO)	C(OGe[6])(CH3)2(H)	O(Ge[6]N[6]2)(CCCH)	H(CCCO)	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	109.4161	0.679	190	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	2:4:	4:	C-3:O-2:H-1:H-1:	N-2:C-4:	C-4:	C(CC[6a]O)(ON)(H)2	O(NC[6])(CCHH)	H(CCHO)	C(CC[6a]O)(ON)(H)2	O(NC[6])(CCHH)	H(CCHO)	109.3870	0.000	1	109.3870	0.000	1	109.0788	0.032	5	109.0788	0.032	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	2:4:	4:	C-3:O-2:H-1:H-1:	N-2:C-4:	C-4:	C(COO)(ON)(H)2	O(NC[6])(CCHH)	H(CCHO)	C(COO)(ON)(H)2	O(NC[6])(CCHH)	H(CCHO)	109.0018	0.051	4	109.0018	0.003	4	109.0788	0.032	5	109.0788	0.032	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	B-3:C-4:	C-4:	C(CCC)(OB)(H)2	O(BC[6a]C)(CCHH)	H(CCHO)	C(CCC)(OB)(H)2	O(BC[6a]C)(CCHH)	H(CCHO)	109.2680	0.018	2	109.2680	0.000	2	109.2680	0.000	2	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.9616	0.350	20	109.9616	0.123	20	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	110.0386	0.350	14	110.0386	0.123	14	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	109.5550	0.017	2	109.5550	0.000	2	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.2273	0.446	6	109.2273	0.199	6	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	108.8730	0.021	2	108.8730	0.000	2	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.7686	0.497	19	109.7686	0.247	19	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCH)(OC)(H)2	O(CN[5]O)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CN[5]O)(CCHH)	H(CCHO)	109.7040	0.018	2	109.7040	0.000	2	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCH)(OC)(H)2	O(CN[6]O)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CN[6]O)(CCHH)	H(CCHO)	109.7065	0.023	2	109.7065	0.001	2	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCO)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CCO)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	108.4050	0.008	2	108.4050	0.000	2	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	108.0943	1.956	6	108.0943	3.824	6	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5]I)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5]I)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.5850	0.044	2	109.5850	0.002	2	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5a]O)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5a]O)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.7796	0.372	8	109.7796	0.138	8	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]C)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]C)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.8664	0.767	7	109.8664	0.589	7	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]O)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CC[6a]O)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.5710	0.000	1	109.5710	0.000	1	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]O)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CC[6a]O)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.6495	0.039	2	109.6495	0.002	2	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]O)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]O)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.5469	0.382	68	109.5469	0.146	68	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CHH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.1598	3.826	4	109.1598	14.637	4	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CNO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CNO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.4038	0.297	14	109.4038	0.088	14	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(COO)(OC)(H)2	O(CC[6,6]O)(CCHH)	H(CCHO)	C(COO)(OC)(H)2	O(CC[6,6]O)(CCHH)	H(CCHO)	109.4172	0.082	4	109.4172	0.007	4	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(COO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(COO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.0083	2.935	4	109.0083	8.613	4	109.5678	0.753	189	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(CC[6a]O)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	C(CC[6a]O)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	109.1972	0.158	4	109.1972	0.025	4	109.4215	0.136	6	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(CN[5]O)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	C(CN[5]O)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CCHH)	H(CCHO)	109.8700	0.010	2	109.8700	0.000	2	109.4215	0.136	6	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[4]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CC[4]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.8030	0.014	2	109.8030	0.000	2	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CC[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	108.8325	0.025	2	108.8325	0.001	2	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CC[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.6625	1.003	2	109.6625	1.007	2	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CC[6a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.5472	0.709	8	109.5472	0.502	8	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]N)(OC[6a])(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	C(CC[6a]N)(OC[6a])(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	H(CCHO)	109.2265	0.053	2	109.2265	0.003	2	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CC[6a]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.6468	0.628	16	109.6468	0.395	16	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]O)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(CC[6a]O)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	109.1125	0.021	2	109.1125	0.000	2	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CN[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.7084	0.837	7	109.7084	0.701	7	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CN[5a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.3148	0.457	4	109.3148	0.209	4	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5a]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CN[5a]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.3460	0.000	1	109.3460	0.000	1	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[6]O)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(CN[6]O)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	109.5645	0.005	2	109.5645	0.000	2	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[6]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CN[6]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.9308	0.345	6	109.9308	0.119	6	109.5792	0.360	54	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CC[5]HH)	H(CC[5]HO)	109.6000	0.010	2	109.6000	0.000	2	109.6000	0.000	2	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[6a])(H)2	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	H(CC[5]HO)	110.7500	0.000	1	110.7500	0.000	1	109.9929	0.649	71	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	110.0525	0.751	13	110.0525	0.563	13	109.9929	0.649	71	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]S[5])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	109.5160	0.501	27	109.5160	0.251	27	109.9929	0.649	71	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]N[5]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	H(CC[5]HO)	C(C[5]N[5]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	H(CC[5]HO)	110.2840	0.273	2	110.2840	0.074	2	109.9929	0.649	71	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]N[5]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]N[5]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	110.3673	0.933	25	110.3673	0.870	25	109.9929	0.649	71	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	H(CC[5]HO)	C(C[5]N[5]O[5])(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	H(CC[5]HO)	110.3450	0.064	2	110.3450	0.004	2	109.9929	0.649	71	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]N[5]O[5])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	110.6920	0.000	1	110.6920	0.000	1	109.9929	0.649	71	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[5a]C[5a]2)(OC[6])(H)2	O(C[6]C[6]O[6])(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC[6])(H)2	O(C[6]C[6]O[6])(CC[5a]HH)	H(CC[5a]HO)	109.3285	0.022	2	109.3285	0.000	2	109.9140	0.458	4	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[6])(H)2	O(C[6]C[6]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	O(C[6]C[6]2)(CC[5a]HH)	H(CC[5a]HO)	110.4995	0.039	2	110.4995	0.002	2	109.9140	0.458	4	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	109.6500	0.013	2	109.6500	0.000	2	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	109.6885	0.033	2	109.6885	0.001	2	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	110.1321	0.504	8	110.1321	0.255	8	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	109.9004	0.496	52	109.9004	0.246	52	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CC[5a]HH)	H(CC[5a]HO)	109.3600	0.000	1	109.3600	0.000	1	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	110.1505	0.190	2	110.1505	0.036	2	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	110.1360	0.177	5	110.1360	0.031	5	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	109.4091	0.732	23	109.4091	0.536	23	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	110.1410	0.000	1	110.1410	0.000	1	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	110.6160	1.882	2	110.6160	3.543	2	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	109.8312	0.134	6	109.8312	0.018	6	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	110.2833	0.326	4	110.2833	0.106	4	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	109.7167	1.375	44	109.7167	1.892	44	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	H(CC[5a]HO)	110.3764	0.135	9	110.3764	0.018	9	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	109.7571	0.492	18	109.7571	0.242	18	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5a]HH)	H(CC[5a]HO)	110.2986	0.248	22	110.2986	0.062	22	109.8802	0.665	201	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC[6])(H)2	O(C[6]C[6]N[6])(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6])(H)2	O(C[6]C[6]N[6])(CC[6]HH)	H(CC[6]HO)	109.5760	0.040	2	109.5760	0.002	2	109.5760	0.002	2	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	H(CC[6]HO)	106.2405	2.197	2	106.2405	4.827	2	109.9540	0.980	56	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	110.1400	0.714	33	110.1400	0.509	33	109.9540	0.980	56	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	110.0154	0.446	21	110.0154	0.199	21	109.9540	0.980	56	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	B[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OB[5])(H)2	O(B[5]O[5]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OB[5])(H)2	O(B[5]O[5]2)(CC[6a]HH)	H(CC[6a]HO)	109.7405	0.015	2	109.7405	0.000	2	109.6853	0.009	3	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	B[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OB[5])(H)2	O(B[5]N[5]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB[5])(H)2	O(B[5]N[5]2)(CC[6a]HH)	H(CC[6a]HO)	109.5750	0.000	1	109.5750	0.000	1	109.6853	0.009	3	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	B[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OB[5a])(H)2	O(B[5a]N[5a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB[5a])(H)2	O(B[5a]N[5a]2)(CC[6a]HH)	H(CC[6a]HO)	108.8660	0.027	2	108.8660	0.001	2	108.8660	0.001	2	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[3x5,6]O)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[3x5,6]O)(CC[6a]HH)	H(CC[6a]HO)	109.8235	0.011	2	109.8235	0.000	2	109.7733	0.213	8	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5,5,6]O)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5,5,6]O)(CC[6a]HH)	H(CC[6a]HO)	109.7565	0.545	6	109.7565	0.297	6	109.7733	0.213	8	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]C[5])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]C[5])(CC[6a]HH)	H(CC[6a]HO)	108.9140	0.080	4	108.9140	0.006	4	108.4761	6.889	12	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2)(CC[6a]HH)	H(CC[6a]HO)	109.8590	0.058	2	109.8590	0.003	2	108.4761	6.889	12	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]N[5]O[5])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]N[5]O[5])(CC[6a]HH)	H(CC[6a]HO)	106.6680	4.259	4	106.6680	18.136	4	108.4761	6.889	12	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]N[5]S[5])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]N[5]S[5])(CC[6a]HH)	H(CC[6a]HO)	109.8335	0.006	2	109.8335	0.000	2	108.4761	6.889	12	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a,6]N[5a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a,6]N[5a])(CC[6a]HH)	H(CC[6a]HO)	110.0520	0.098	3	110.0520	0.010	3	110.0376	0.056	14	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a,6a]C[5a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a,6a]C[5a])(CC[6a]HH)	H(CC[6a]HO)	109.6315	0.008	2	109.6315	0.000	2	110.0376	0.056	14	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a,6a]N[5a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a,6a]N[5a])(CC[6a]HH)	H(CC[6a]HO)	110.2400	0.024	2	110.2400	0.001	2	110.0376	0.056	14	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CC[6a]HH)	H(CC[6a]HO)	109.6800	0.000	1	109.6800	0.000	1	110.0376	0.056	14	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a]O[5a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]C[5a]O[5a])(CC[6a]HH)	H(CC[6a]HO)	110.0270	0.041	2	110.0270	0.002	2	110.0376	0.056	14	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]N[5a,6]C[5a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]N[5a,6]C[5a])(CC[6a]HH)	H(CC[6a]HO)	110.1340	0.021	2	110.1340	0.000	2	110.0376	0.056	14	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]N[5a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	O(C[5a]N[5a]2)(CC[6a]HH)	H(CC[6a]HO)	110.3125	0.016	2	110.3125	0.000	2	110.0376	0.056	14	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]C[6,6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]C[6,6])(CC[6a]HH)	H(CC[6a]HO)	109.3795	0.032	2	109.3795	0.001	2	109.3795	0.001	2	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6])(CC[6a]HH)	H(CC[6a]HO)	110.0730	0.007	2	110.0730	0.000	2	110.0312	0.065	38	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2)(CC[6a]HH)	H(CC[6a]HO)	109.9480	0.281	24	109.9480	0.079	24	110.0312	0.065	38	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]N[6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]N[6])(CC[6a]HH)	H(CC[6a]HO)	110.1447	0.127	6	110.1447	0.016	6	110.0312	0.065	38	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]N[6]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]N[6]2)(CC[6a]HH)	H(CC[6a]HO)	110.2210	0.035	2	110.2210	0.001	2	110.0312	0.065	38	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6])(H)2	O(C[6]C[6]N[6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6])(H)2	O(C[6]C[6]N[6])(CC[6a]HH)	H(CC[6a]HO)	110.2450	0.050	4	110.2450	0.003	4	110.0312	0.065	38	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	110.0182	0.045	4	110.0182	0.002	4	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	109.8150	0.804	3	109.8150	0.646	3	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	109.9365	0.257	10	109.9365	0.066	10	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	110.3930	0.000	1	110.3930	0.000	1	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	H(CC[6a]HO)	109.9840	0.000	1	109.9840	0.000	1	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	108.8506	1.265	11	108.8506	1.601	11	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	H(CC[6a]HO)	109.3910	0.083	2	109.3910	0.007	2	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	110.2480	0.013	2	110.2480	0.000	2	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	109.7174	1.224	22	109.7174	1.499	22	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]2)(CC[6a]HH)	H(CC[6a]HO)	109.7990	0.020	2	109.7990	0.000	2	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	H(CC[6a]HO)	110.0232	0.225	39	110.0232	0.051	39	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	H(CC[6a]HO)	110.0047	0.151	3	110.0047	0.023	3	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	109.7764	0.943	1407	109.7764	0.889	1407	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CC[6a]HH)	H(CC[6a]HO)	110.0329	0.462	88	110.0329	0.214	88	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]N[6a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	O(C[6a]N[6a]2)(CC[6a]HH)	H(CC[6a]HO)	109.6788	0.513	26	109.6788	0.263	26	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	109.9260	0.628	65	109.9260	0.394	65	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CC[6a]HH)	H(CC[6a]HO)	109.5335	0.023	2	109.5335	0.001	2	109.7952	0.813	1688	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	N-3:O-2:H-1:H-1:	B[5]-3:C-4:	C-4:	C(NC[6a]B[5])(OB[5])(H)2	O(B[5]O[5]2)(CHHN)	H(CHNO)	C(NC[6a]B[5])(OB[5])(H)2	O(B[5]O[5]2)(CHHN)	H(CHNO)	109.3095	0.030	4	109.3095	0.001	4	109.3095	0.001	4	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	O(C[6a]C[6a]2)(CN[5]HH)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	O(C[6a]C[6a]2)(CN[5]HH)	H(CN[5]HO)	109.6773	0.365	9	109.6773	0.134	9	109.6773	0.134	9	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CN[5a]HH)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	O(C[6a]C[6a]2)(CN[5a]HH)	H(CN[5a]HO)	110.3610	0.133	5	110.3610	0.018	5	110.0716	0.257	7	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(N[5a]N[5a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CN[5a]HH)	H(CN[5a]HO)	C(N[5a]N[5a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CN[5a]HH)	H(CN[5a]HO)	109.3480	0.057	2	109.3480	0.003	2	110.0716	0.257	7	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	3:4:	4:	P-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(PC[6a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CHHP)	H(CHOP)	C(PC[6a]2)(OC[6a])(H)2	O(C[6a]C[6a]2)(CHHP)	H(CHOP)	109.0422	0.955	5	109.0422	0.913	5	109.0422	0.913	5	109.7827	0.800	2379	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(CCN)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	C(CCN)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	108.7693	0.371	3	108.7693	0.138	3	109.2159	0.205	16	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(COO)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	C(COO)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	109.3190	0.415	13	109.3190	0.172	13	109.2159	0.205	16	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5a]C[5a]N[5a])(ON)(H)2	O(CC[5a]HH)(NC)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(ON)(H)2	O(CC[5a]HH)(NC)	H(CC[5a]HO)	109.2385	0.008	2	109.2385	0.000	2	109.0987	0.025	14	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5a]C[5a]O[5a])(ON)(H)2	O(CC[5a]HH)(NC)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(ON)(H)2	O(CC[5a]HH)(NC)	H(CC[5a]HO)	109.0250	0.185	4	109.0250	0.034	4	109.0987	0.025	14	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5a]C[5a]S[5a])(ON)(H)2	O(CC[5a]HH)(NC)	H(CC[5a]HO)	C(C[5a]C[5a]S[5a])(ON)(H)2	O(CC[5a]HH)(NC)	H(CC[5a]HO)	109.0418	0.067	4	109.0418	0.005	4	109.0987	0.025	14	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[5a]N[5a]S[5a])(ON)(H)2	O(CC[5a]HH)(NC)	H(CC[5a]HO)	C(C[5a]N[5a]S[5a])(ON)(H)2	O(CC[5a]HH)(NC)	H(CC[5a]HO)	109.1595	0.199	4	109.1595	0.039	4	109.0987	0.025	14	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a,6a]2)(ON)(H)2	O(CC[6a]HH)(NC)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(ON)(H)2	O(CC[6a]HH)(NC)	H(CC[6a]HO)	109.1555	0.056	2	109.1555	0.003	2	109.1403	2.356	110	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC)	H(CC[6a]HO)	109.1725	1.762	52	109.1725	3.103	52	109.1403	2.356	110	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[5])	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[5])	H(CC[6a]HO)	107.9533	2.837	10	107.9533	8.051	10	109.1403	2.356	110	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[6,6])	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[6,6])	H(CC[6a]HO)	109.0820	0.011	2	109.0820	0.000	2	109.1403	2.356	110	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[6])	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[6])	H(CC[6a]HO)	109.5189	0.507	20	109.5189	0.257	20	109.1403	2.356	110	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NN)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NN)	H(CC[6a]HO)	109.4228	0.755	6	109.4228	0.569	6	109.1403	2.356	110	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]N[6a])(ON)(H)2	O(CC[6a]HH)(NC)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(ON)(H)2	O(CC[6a]HH)(NC)	H(CC[6a]HO)	109.1966	0.218	18	109.1966	0.047	18	109.1403	2.356	110	109.1448	1.873	140	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCC)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCC)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.2332	0.121	13	110.2332	0.015	13	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCC)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CCC)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.7343	0.349	4	109.7343	0.122	4	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCH)(OC)(H)2	O(CCHH)(CCC)	H(CCHO)	C(CCH)(OC)(H)2	O(CCHH)(CCC)	H(CCHO)	110.0595	0.023	2	110.0595	0.001	2	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCH)(OC)(H)2	O(CCHH)(CCN)	H(CCHO)	C(CCH)(OC)(H)2	O(CCHH)(CCN)	H(CCHO)	109.9953	0.753	3	109.9953	0.567	3	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.3371	1.102	30	109.3371	1.215	30	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CCH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.7452	0.799	20	109.7452	0.639	20	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCH)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	C(CCH)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	109.1910	0.354	6	109.1910	0.126	6	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	108.9360	0.022	3	108.9360	0.000	3	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	108.7540	0.062	4	108.7540	0.004	4	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[3,5]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[3,5]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.3580	0.010	2	109.3580	0.000	2	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5,5]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[5,5]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.1406	0.097	7	109.1406	0.010	7	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[5]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.5943	1.544	24	109.5943	2.383	24	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6]N)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6]N)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.0230	0.014	2	110.0230	0.000	2	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]C)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6a]C)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.3888	0.222	5	109.3888	0.050	5	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6a]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.5324	0.196	14	109.5324	0.038	14	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]O)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	C(CC[6a]O)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	109.4475	0.182	4	109.4475	0.033	4	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CClH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CClH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	115.1630	0.100	2	115.1630	0.010	2	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.1330	1.788	4	109.1330	3.197	4	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHO)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	C(CHO)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	109.3556	0.611	5	109.3556	0.373	5	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CNO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CNO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.5741	0.557	14	109.5741	0.310	14	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CNO)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	C(CNO)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	109.3905	0.032	2	109.3905	0.001	2	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[6]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CN[6]O)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.5190	0.000	1	109.5190	0.000	1	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(COO)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	C(COO)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	109.6500	0.008	2	109.6500	0.000	2	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(COO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(COO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.3977	0.468	24	109.3977	0.219	24	109.5740	1.050	197	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[3,5]C[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[3,5]C[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	110.8310	0.024	2	110.8310	0.001	2	109.3110	5.622	22	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]C[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5,5]C[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	108.9650	0.408	4	108.9650	0.167	4	109.3110	5.622	22	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]C[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5,6]C[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.4345	0.021	2	109.4345	0.000	2	109.3110	5.622	22	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5]2)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	107.9832	4.302	6	107.9832	18.508	6	109.3110	5.622	22	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2)(OC)(H)2	O(CC[5]HH)(COO)	H(CC[5]HO)	C(C[5]C[5]2)(OC)(H)2	O(CC[5]HH)(COO)	H(CC[5]HO)	109.6980	0.024	2	109.6980	0.001	2	109.3110	5.622	22	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.9620	0.016	2	109.9620	0.000	2	109.3110	5.622	22	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5])(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.5835	0.005	2	110.5835	0.000	2	109.3110	5.622	22	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]N[5,6]C[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]N[5,6]C[5])(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	110.0320	1.973	2	110.0320	3.892	2	109.3110	5.622	22	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a,6]C[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]O)	H(CC[5a]HO)	C(C[5a]C[5a,6]C[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]O)	H(CC[5a]HO)	109.6810	0.007	2	109.6810	0.000	2	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CCO)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CCO)	H(CC[5a]HO)	108.4411	1.880	8	108.4411	3.534	8	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CC[3]O)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CC[3]O)	H(CC[5a]HO)	109.8375	0.053	2	109.8375	0.003	2	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CCO)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CCO)	H(CC[5a]HO)	110.2042	0.323	6	110.2042	0.104	6	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[5a]O)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[5a]O)	H(CC[5a]HO)	109.9160	0.000	1	109.9160	0.000	1	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[6]O)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[6]O)	H(CC[5a]HO)	109.6230	0.024	2	109.6230	0.001	2	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]O)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]O)	H(CC[5a]HO)	110.0649	0.471	16	110.0649	0.221	16	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CCO)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CCO)	H(CC[5a]HO)	110.1532	0.092	4	110.1532	0.008	4	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]O)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]O)	H(CC[5a]HO)	109.7365	1.015	4	109.7365	1.031	4	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CNO)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CNO)	H(CC[5a]HO)	110.6020	0.118	10	110.6020	0.014	10	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]S[5a])(OC)(H)2	O(CC[5a]HH)(COO)	H(CC[5a]HO)	C(C[5a]C[5a]S[5a])(OC)(H)2	O(CC[5a]HH)(COO)	H(CC[5a]HO)	109.0775	0.037	2	109.0775	0.001	2	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5a]N[5a]2)(OC)(H)2	O(CC[5a]HH)(CCO)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OC)(H)2	O(CC[5a]HH)(CCO)	H(CC[5a]HO)	109.8980	0.000	1	109.8980	0.000	1	109.8556	0.994	58	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6,6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[3x6]C[6,6])(OC)(H)2	O(CC[6,6]HH)(CC[6a]O)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6])(OC)(H)2	O(CC[6,6]HH)(CC[6a]O)	H(CC[6,6]HO)	109.3145	0.037	2	109.3145	0.001	2	109.3145	0.001	2	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]C[6])(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.5275	0.013	2	109.5275	0.000	2	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6])(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	107.7355	0.103	2	107.7355	0.011	2	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	107.3780	4.191	9	107.3780	17.562	9	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CC[5a]O)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CC[5a]O)	H(CC[6]HO)	110.1690	0.294	4	110.1690	0.086	4	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.0161	2.310	12	109.0161	5.336	12	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CHO)	H(CC[6]HO)	109.8900	0.021	2	109.8900	0.000	2	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CNO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CNO)	H(CC[6]HO)	106.9127	3.845	6	106.9127	14.781	6	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	110.2575	0.015	2	110.2575	0.000	2	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CC[5]O)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CC[5]O)	H(CC[6]HO)	106.9780	1.015	2	106.9780	1.031	2	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.1720	0.011	2	109.1720	0.000	2	108.4620	7.952	43	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:B-3:	C-4:	C(C[6a]C[6a]2)(OB)(H)2	O(CC[6a]HH)(BCC)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB)(H)2	O(CC[6a]HH)(BCC)	H(CC[6a]HO)	109.8370	0.527	6	109.8370	0.278	6	109.7297	0.238	8	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:B-3:	C-4:	C(C[6a]C[6a]2)(OB)(H)2	O(CC[6a]HH)(BC[6a]2)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB)(H)2	O(CC[6a]HH)(BC[6a]2)	H(CC[6a]HO)	109.4080	0.006	2	109.4080	0.000	2	109.7297	0.238	8	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CCO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CCO)	H(CC[6a]HO)	110.1455	0.133	4	110.1455	0.018	4	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	108.2835	1.091	2	108.2835	1.190	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]HH)(CCO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]HH)(CCO)	H(CC[6a]HO)	110.1677	0.222	4	110.1677	0.049	4	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	109.6650	0.018	2	109.6650	0.000	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CC[5]O)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CC[5]O)	H(CC[6a]HO)	110.5335	0.093	2	110.5335	0.009	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	109.7655	0.067	2	109.7655	0.005	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCC)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCC)	H(CC[6a]HO)	109.9127	1.086	14	109.9127	1.179	14	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCH)	H(CC[6a]HO)	109.7065	0.059	2	109.7065	0.003	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCN)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCN)	H(CC[6a]HO)	106.4175	5.609	2	106.4175	31.466	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCO)	H(CC[6a]HO)	109.5164	1.460	441	109.5164	2.133	441	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3,5]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3,5]O)	H(CC[6a]HO)	109.3465	0.998	2	109.3465	0.995	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3]O)	H(CC[6a]HO)	109.7923	1.675	6	109.7923	2.805	6	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3x6]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3x6]O)	H(CC[6a]HO)	109.5350	0.000	1	109.5350	0.000	1	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[4]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[4]O)	H(CC[6a]HO)	109.9308	0.253	5	109.9308	0.064	5	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5,6]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5,6]O)	H(CC[6a]HO)	109.7885	0.040	2	109.7885	0.002	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]O)	H(CC[6a]HO)	109.6656	0.644	136	109.6656	0.415	136	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5a]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5a]O)	H(CC[6a]HO)	109.7197	0.625	46	109.7197	0.390	46	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6,6]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6,6]O)	H(CC[6a]HO)	110.2912	0.071	5	110.2912	0.005	5	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6]O)	H(CC[6a]HO)	109.8266	0.629	77	109.8266	0.395	77	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]C)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]C)	H(CC[6a]HO)	109.4420	0.057	2	109.4420	0.003	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]H)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]H)	H(CC[6a]HO)	111.6020	0.095	2	111.6020	0.009	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	109.7435	1.007	284	109.7435	1.014	284	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]S)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]S)	H(CC[6a]HO)	105.3710	5.446	2	105.3710	29.660	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CNN)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CNN)	H(CC[6a]HO)	108.6745	0.030	2	108.6745	0.001	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CNO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CNO)	H(CC[6a]HO)	109.5436	1.168	393	109.5436	1.363	393	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CNS)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CNS)	H(CC[6a]HO)	110.3050	0.195	2	110.3050	0.038	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[3]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[3]O)	H(CC[6a]HO)	109.4732	0.096	6	109.4732	0.009	6	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[4]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[4]O)	H(CC[6a]HO)	109.3883	0.104	6	109.3883	0.011	6	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5,5]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5,5]O)	H(CC[6a]HO)	110.0865	0.006	2	110.0865	0.000	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5,6]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5,6]O)	H(CC[6a]HO)	109.8387	0.651	7	109.8387	0.424	7	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5]O)	H(CC[6a]HO)	109.2778	2.202	103	109.2778	4.847	103	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5a]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5a]O)	H(CC[6a]HO)	109.7528	0.904	12	109.7528	0.817	12	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[6,6]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[6,6]O)	H(CC[6a]HO)	109.3356	0.833	16	109.3356	0.693	16	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[6]O)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[6]O)	H(CC[6a]HO)	109.6355	0.639	63	109.6355	0.409	63	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(COO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(COO)	H(CC[6a]HO)	109.8988	0.419	37	109.8988	0.175	37	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CSS)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CSS)	H(CC[6a]HO)	109.9917	0.489	8	109.9917	0.239	8	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CC[5]O)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CC[5]O)	H(CC[6a]HO)	108.9455	0.039	2	108.9455	0.002	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CC[6a]O)	H(CC[6a]HO)	109.0749	4.158	8	109.0749	17.290	8	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CSS)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CSS)	H(CC[6a]HO)	109.4770	0.017	2	109.4770	0.000	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]O[6a])(OC)(H)2	O(CC[6a]HH)(CHO)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OC)(H)2	O(CC[6a]HH)(CHO)	H(CC[6a]HO)	110.4230	0.021	2	110.4230	0.000	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CCO)	H(CC[6a]HO)	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CCO)	H(CC[6a]HO)	110.6780	0.069	2	110.6780	0.005	2	109.5979	1.600	1718	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	N-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(NC[5a]C[6a])(OC)(H)2	O(CHHN)(CCO)	H(CHNO)	C(NC[5a]C[6a])(OC)(H)2	O(CHHN)(CCO)	H(CHNO)	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	N[5]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(N[5]C[5,6a]N[5])(OC)(H)2	O(CN[5]HH)(CCO)	H(CN[5]HO)	C(N[5]C[5,6a]N[5])(OC)(H)2	O(CN[5]HH)(CCO)	H(CN[5]HO)	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	O(CN[5a]HH)(CC[6a]O)	H(CN[5a]HO)	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	O(CN[5a]HH)(CC[6a]O)	H(CN[5a]HO)	108.8520	7.591	2	108.8520	57.631	2	109.3994	9.966	7	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(N[5a]C[5a]N[5a])(OC)(H)2	O(CN[5a]HH)(CCO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC)(H)2	O(CN[5a]HH)(CCO)	H(CN[5a]HO)	109.6184	0.576	5	109.6184	0.332	5	109.3994	9.966	7	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:1:1:	4:3:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	O(CN[6a]HH)(CCO)	H(CN[6a]HO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	O(CN[6a]HH)(CCO)	H(CN[6a]HO)	110.0875	0.013	2	110.0875	0.000	2	110.0875	0.000	2	109.5761	1.742	2059	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(C[6a]C[6a]2)(CC[6a]HO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(C[6a]C[6a]2)(CC[6a]HO)	H(CC[6a]OO)	109.1207	0.111	3	109.1207	0.012	3	108.6966	6.598	8	108.6966	6.598	8	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])2(H)	O(C[6a]C[6a]2)(CC[6a]HO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC[6a])2(H)	O(C[6a]C[6a]2)(CC[6a]HO)	H(CC[6a]OO)	104.7575	0.022	2	104.7575	0.000	2	108.6966	6.598	8	108.6966	6.598	8	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	O(C[6a]C[6a]2)(CC[6a]HO)	H(CC[6a]OO)	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	O(C[6a]C[6a]2)(CC[6a]HO)	H(CC[6a]OO)	110.8987	0.149	3	110.8987	0.022	3	108.6966	6.598	8	108.6966	6.598	8	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	4:3:	4:	C[6a]-3:C-2:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.3745	0.251	2	109.3745	0.063	2	108.9371	0.309	9	107.2244	31.346	21	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	4:3:	4:	C[6a]-3:C-2:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	108.7650	0.000	1	108.7650	0.000	1	108.9371	0.309	9	107.2244	31.346	21	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	4:3:	4:	C[6a]-3:C-2:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CN)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	109.6210	0.000	1	109.6210	0.000	1	108.9371	0.309	9	107.2244	31.346	21	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	4:3:	4:	C[6a]-3:C-2:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CN)(OC)(H)	O(CC[6a]CH)(CC[3]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN)(OC)(H)	O(CC[6a]CH)(CC[3]O)	H(CC[6a]CO)	108.6598	0.534	5	108.6598	0.285	5	108.9371	0.309	9	107.2244	31.346	21	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	4:3:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCC)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCC)	H(CC[6a]OO)	109.8470	0.000	1	109.8470	0.000	1	105.9399	52.569	12	107.2244	31.346	21	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	4:3:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCH)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCH)	H(CC[6a]OO)	96.3373	2.786	4	96.3373	7.762	4	105.9399	52.569	12	107.2244	31.346	21	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:2:1:	4:3:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCO)	H(CC[6a]OO)	110.8690	0.362	7	110.8690	0.131	7	105.9399	52.569	12	107.2244	31.346	21	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:3:1:	3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	110.0060	0.000	1	110.0060	0.000	1	109.6210	0.227	5	109.6210	0.227	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:3:1:	3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	109.2760	0.291	2	109.2760	0.085	2	109.6210	0.227	5	109.6210	0.227	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:3:1:	3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	109.3310	0.000	1	109.3310	0.000	1	109.6210	0.227	5	109.6210	0.227	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:3:1:	3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	110.2160	0.000	1	110.2160	0.000	1	109.6210	0.227	5	109.6210	0.227	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]N)(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(CC[6a]N)(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	108.1050	0.000	1	108.1050	0.000	1	109.9123	0.967	6	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]O)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(CC[6a]O)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	109.7875	0.292	2	109.7875	0.085	2	109.9123	0.967	6	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5]O)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(CN[5]O)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	110.5980	0.146	3	110.5980	0.021	3	109.9123	0.967	6	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[5]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CC[5]CH)	H(CC[5]CO)	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CC[5]CH)	H(CC[5]CO)	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[5a]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	H(CC[5a]CO)	109.0680	0.000	1	109.0680	0.000	1	109.0680	0.000	1	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[5a]-3:O-2:C-4:H-1:	Ge[6]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	O(Ge[6]N[6]2)(CC[5a]CH)	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	O(Ge[6]N[6]2)(CC[5a]CH)	H(CC[5a]CO)	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	108.0660	0.000	1	108.0660	0.000	1	109.3676	0.261	24	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	109.3150	0.541	3	109.3150	0.292	3	109.3676	0.261	24	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	110.0875	0.132	2	110.0875	0.017	2	109.3676	0.261	24	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	109.6220	0.000	1	109.6220	0.000	1	109.3676	0.261	24	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	109.2942	0.525	5	109.2942	0.276	5	109.3676	0.261	24	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	O(C[6a]N[6a]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	O(C[6a]N[6a]2)(CC[6a]CH)	H(CC[6a]CO)	109.6580	0.123	7	109.6580	0.015	7	109.3676	0.261	24	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	108.9876	0.134	5	108.9876	0.018	5	109.3676	0.261	24	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	Ge[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	O(Ge[6]N[6]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	O(Ge[6]N[6]2)(CC[6a]CH)	H(CC[6a]CO)	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	N[5a]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	O(C[6a]C[6a]2)(CN[5a]CH)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	O(C[6a]C[6a]2)(CN[5a]CH)	H(CN[5a]CO)	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:2:4:1:	3:4:	4:	N[6]-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(N[6]C[6]2)(OC[6a])(CIrHH)(H)	O(C[6a]C[6a]2)(CN[6]CH)	H(CN[6]CO)	C(N[6]C[6]2)(OC[6a])(CIrHH)(H)	O(C[6a]C[6a]2)(CN[6]CH)	H(CN[6]CO)	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	109.3612	0.465	36	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[5,5,6]O)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[5,5,6]O)(CC[6a]CH)	H(CC[6a]CO)	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	109.6417	0.449	9	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[5,5,6]O)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[5,5,6]O)(CC[6a]2H)	H(CC[6a]2O)	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	109.6417	0.449	9	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[6])(H)	O(C[6]C[6]2)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[6])(H)	O(C[6]C[6]2)(CC[6a]2H)	H(CC[6a]2O)	109.4775	0.425	2	109.4775	0.181	2	109.4775	0.181	2	109.6417	0.449	9	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[6a])(H)	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[6a])(H)	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	H(CC[6a]2O)	108.4160	0.000	1	108.4160	0.000	1	109.5993	1.513	3	109.6417	0.449	9	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]2H)	H(CC[6a]2O)	110.1910	0.962	2	110.1910	0.925	2	109.5993	1.513	3	109.6417	0.449	9	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	3:4:	4:	N[5a]-3:C-3:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	O(C[6a]C[6a]2)(CN[5a]CH)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	O(C[6a]C[6a]2)(CN[5a]CH)	H(CN[5a]CO)	109.8550	0.000	1	109.8550	0.000	1	109.7235	0.035	2	109.6417	0.449	9	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	3:4:	4:	N[5a]-3:C-3:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	O(C[6a]C[6a]2)(CN[5a]CH)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	O(C[6a]C[6a]2)(CN[5a]CH)	H(CN[5a]CO)	109.5920	0.000	1	109.5920	0.000	1	109.7235	0.035	2	109.6417	0.449	9	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:2:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CCH)(ON)(H)	O(CC[6a]CH)(NC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(ON)(H)	O(CC[6a]CH)(NC)	H(CC[6a]CO)	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(COO)2(OC)(H)	O(CCCH)(CCN)	H(CCCO)	C(COO)2(OC)(H)	O(CCCH)(CCN)	H(CCCO)	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[5a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	O(CC[5a]CH)(CC[6a]O)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	O(CC[5a]CH)(CC[6a]O)	H(CC[5a]CO)	110.3480	0.673	4	110.3480	0.453	4	110.3480	0.453	4	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CCO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CCO)	H(CC[5a]C[6a]O)	108.7910	0.064	2	108.7910	0.004	2	109.0650	0.227	3	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CCO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CCO)	H(CC[5a]C[6a]O)	109.6130	0.000	1	109.6130	0.000	1	109.0650	0.227	3	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	110.4195	2.396	2	110.4195	5.743	2	109.4327	5.793	3	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(COO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(COO)	H(CC[6]CO)	107.4590	0.000	1	107.4590	0.000	1	109.4327	5.793	3	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:B[5]-3:O-2:H-1:	C-4:B[5]-3:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	O(CC[6a]B[5]H)(B[5]O[5]2)	H(CC[6a]B[5]O)	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	O(CC[6a]B[5]H)(B[5]O[5]2)	H(CC[6a]B[5]O)	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:B-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	O(CC[6a]CH)(BC[6a]C)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	O(CC[6a]CH)(BC[6a]C)	H(CC[6a]CO)	107.8610	0.021	2	107.8610	0.000	2	107.8610	0.000	2	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CCC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CCC)	H(CC[6a]CO)	94.3093	0.000	1	94.3093	0.000	1	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.4967	0.350	3	109.4967	0.122	3	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	108.6540	1.581	3	108.6540	2.498	3	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	108.7050	0.000	1	108.7050	0.000	1	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	107.7930	0.000	1	107.7930	0.000	1	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.3540	0.000	1	109.3540	0.000	1	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6]H)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]H)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	107.4720	0.000	1	107.4720	0.000	1	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.5757	1.273	4	108.5757	1.620	4	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[3x6]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[3x6]O)	H(CC[6a]CO)	109.6080	0.000	1	109.6080	0.000	1	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[6]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[6]O)	H(CC[6a]CO)	109.9700	0.000	1	109.9700	0.000	1	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	110.3140	0.000	1	110.3140	0.000	1	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	109.6454	0.899	8	109.6454	0.808	8	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CC[5a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CC[5a]O)	H(CC[6a]CO)	109.2260	0.000	1	109.2260	0.000	1	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	109.1235	0.364	2	109.1235	0.133	2	108.6523	8.588	29	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:B-3:	C-4:	C(C[6a]C[6a]2)2(OB)(H)	O(CC[6a]2H)(BCC)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OB)(H)	O(CC[6a]2H)(BCC)	H(CC[6a]2O)	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	O(CC[6a]2H)(CCO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	O(CC[6a]2H)(CCO)	H(CC[6a]2O)	108.6540	0.028	3	108.6540	0.001	3	108.8421	0.291	41	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCC)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCC)	H(CC[6a]2O)	109.0210	0.000	1	109.0210	0.000	1	108.8421	0.291	41	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCH)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCH)	H(CC[6a]2O)	108.9440	0.000	1	108.9440	0.000	1	108.8421	0.291	41	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCO)	H(CC[6a]2O)	108.9365	0.459	6	108.9365	0.210	6	108.8421	0.291	41	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CC[4]O)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CC[4]O)	H(CC[6a]2O)	108.7070	0.000	1	108.7070	0.000	1	108.8421	0.291	41	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CC[5]O)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CC[5]O)	H(CC[6a]2O)	108.7387	0.380	12	108.7387	0.144	12	108.8421	0.291	41	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CC[6]O)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CC[6]O)	H(CC[6a]2O)	108.5327	0.379	4	108.5327	0.144	4	108.8421	0.291	41	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CC[6a]O)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CC[6a]O)	H(CC[6a]2O)	109.0213	0.787	13	109.0213	0.620	13	108.8421	0.291	41	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:Si-3:	C-4:	C(C[6a]C[6a]2)2(OSi)(H)	O(CC[6a]2H)(SiRuC)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OSi)(H)	O(CC[6a]2H)(SiRuC)	H(CC[6a]2O)	108.2365	0.128	2	108.2365	0.016	2	108.2365	0.016	2	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	C[6a]-3:N-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NCH)(OC)(H)	O(CC[6a]HN)(CCH)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NCH)(OC)(H)	O(CC[6a]HN)(CCH)	H(CC[6a]NO)	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	N[5]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	O(CN[5]CH)(CCO)	H(CN[5]CO)	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	O(CN[5]CH)(CCO)	H(CN[5]CO)	110.1300	0.000	1	110.1300	0.000	1	110.1300	0.000	1	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	N[5]-3:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	O(CC[6a]N[5]H)(C[6a]C[6a]2)	H(CC[6a]N[5]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	O(CC[6a]N[5]H)(C[6a]C[6a]2)	H(CC[6a]N[5]O)	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:3:2:1:	4:3:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]N[5a]H)(CCO)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]N[5a]H)(CCO)	H(CC[6a]N[5a]O)	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	108.9077	3.212	92	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C-3:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]O)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]O)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.1040	0.188	2	110.1040	0.035	2	109.9052	0.103	4	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C-3:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]O)(CH3)(OC)(H)	O(CN[6]O)(CCCH)	H(CCCO)	C(CC[6a]O)(CH3)(OC)(H)	O(CN[6]O)(CCCH)	H(CCCO)	109.9460	0.000	1	109.9460	0.000	1	109.9052	0.103	4	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C-3:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]O)(CHHN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]O)(CHHN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.4670	0.000	1	109.4670	0.000	1	109.9052	0.103	4	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:O-2:H-1:	B[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	O(B[5]O[5]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	O(B[5]O[5]2)(CC[6a]CH)	H(CC[6a]CO)	109.4065	0.005	2	109.4065	0.000	2	109.4013	0.000	3	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:O-2:H-1:	B[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	O(B[5]O[5]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	O(B[5]O[5]2)(CC[6a]CH)	H(CC[6a]CO)	109.3910	0.000	1	109.3910	0.000	1	109.4013	0.000	3	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[5,5,6]O)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[5,5,6]O)(CC[6a]CH)	H(CC[6a]CO)	109.0205	0.136	2	109.0205	0.019	2	109.0205	0.019	2	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	O(C[5]C[5,6a]N[5])(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	O(C[5]C[5,6a]N[5])(CC[6a]CH)	H(CC[6a]CO)	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	H(CC[6a]CO)	109.2360	0.000	1	109.2360	0.000	1	109.1988	0.219	9	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	109.1596	0.530	7	109.1596	0.281	7	109.1988	0.219	9	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]CO)	109.4360	0.000	1	109.4360	0.000	1	109.1988	0.219	9	109.3884	0.214	19	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5,6]O)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5,6]O)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	110.2245	0.206	2	110.2245	0.042	2	109.7127	0.454	11	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5,6]O)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5,6]O)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.3195	0.002	2	109.3195	0.000	2	109.7127	0.454	11	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]H)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]H)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	110.3940	0.000	1	110.3940	0.000	1	109.7127	0.454	11	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]O)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]O)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	110.1330	0.000	1	110.1330	0.000	1	109.7127	0.454	11	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]O)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]O)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.8680	0.000	1	109.8680	0.000	1	109.7127	0.454	11	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CClN)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CClN)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.4290	0.000	1	109.4290	0.000	1	109.7127	0.454	11	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CN[5]O)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CN[5]O)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.3520	0.000	1	108.3520	0.000	1	109.7127	0.454	11	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CN[5]O)(CCHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CN[5]O)(CCHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.0610	0.000	1	109.0610	0.000	1	109.7127	0.454	11	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CN[5]O)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CN[5]O)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	110.5150	0.000	1	110.5150	0.000	1	109.7127	0.454	11	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[4]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	O(CC[4]CH)(CC[6a]O)	H(CC[4]CO)	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	O(CC[4]CH)(CC[6a]O)	H(CC[4]CO)	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	108.1760	0.498	2	108.1760	0.248	2	108.8967	1.682	3	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	110.3380	0.000	1	110.3380	0.000	1	108.8967	1.682	3	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	O(CC[5a]CH)(CCO)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	O(CC[5a]CH)(CCO)	H(CC[5a]CO)	109.3660	0.000	1	109.3660	0.000	1	109.5090	0.041	2	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	O(CC[5a]CH)(CC[6a]O)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	O(CC[5a]CH)(CC[6a]O)	H(CC[5a]CO)	109.6520	0.000	1	109.6520	0.000	1	109.5090	0.041	2	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[5a]-3:P-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5a]C[5a]O[5a])(PO3)(OC)(H)	O(CC[5a]HP)(CCO)	H(CC[5a]OP)	C(C[5a]C[5a]O[5a])(PO3)(OC)(H)	O(CC[5a]HP)(CCO)	H(CC[5a]OP)	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]2)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.6000	0.000	1	108.6000	0.000	1	109.0209	1.581	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	107.6720	0.000	1	107.6720	0.000	1	109.0209	1.581	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	109.2097	2.011	3	109.2097	4.045	3	109.0209	1.581	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[6]2)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	109.8520	0.000	1	109.8520	0.000	1	109.0209	1.581	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6])(CH3)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]N[6])(CH3)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	109.2070	0.337	2	109.2070	0.113	2	109.0209	1.581	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	111.0400	0.000	1	111.0400	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.7987	0.146	3	109.7987	0.021	3	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	108.1420	0.000	1	108.1420	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	107.2810	0.000	1	107.2810	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	107.8930	0.000	1	107.8930	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.8820	0.045	2	108.8820	0.002	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	105.9515	3.662	2	105.9515	13.411	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.5178	1.201	11	108.5178	1.443	11	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	109.5440	0.000	1	109.5440	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	107.0513	1.236	3	107.0513	1.528	3	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	108.5393	1.689	3	108.5393	2.853	3	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	109.6449	0.629	7	109.6449	0.396	7	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.9560	0.524	4	109.9560	0.275	4	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	109.4790	0.000	1	109.4790	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.8200	0.000	1	108.8200	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.1712	0.641	6	109.1712	0.410	6	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	109.5493	0.176	6	109.5493	0.031	6	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CC[5,6]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CC[5,6]O)	H(CC[6a]CO)	108.5395	1.225	2	108.5395	1.502	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.5170	0.000	1	109.5170	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.4773	0.130	3	108.4773	0.017	3	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	110.3990	0.000	1	110.3990	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	109.5890	0.000	1	109.5890	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.0920	0.000	1	108.0920	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.5250	0.814	3	108.5250	0.663	3	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	107.4410	0.000	1	107.4410	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.9140	0.000	1	108.9140	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[3]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[3]O)	H(CC[6a]CO)	108.6236	1.092	7	108.6236	1.192	7	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.6274	1.058	5	109.6274	1.118	5	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	108.0350	0.040	2	108.0350	0.002	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.6555	0.483	2	109.6555	0.233	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCl3)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl3)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	108.7770	0.000	1	108.7770	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CClCF)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClCF)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.2390	0.000	1	109.2390	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CClCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	107.7000	0.000	1	107.7000	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CClCH)(OC)(H)	O(CC[6a]CH)(CHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	O(CC[6a]CH)(CHO)	H(CC[6a]CO)	109.5370	0.000	1	109.5370	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CF3)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OC)(H)	O(CC[6a]CH)(COO)	H(CC[6a]CO)	109.5330	0.020	2	109.5330	0.000	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CCH)	H(CC[6a]CO)	108.6580	0.000	1	108.6580	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.6245	0.568	2	108.6245	0.322	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[3]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[3]O)	H(CC[6a]CO)	109.1060	0.098	2	109.1060	0.010	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[5]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[5]O)	H(CC[6a]CO)	109.5360	0.000	1	109.5360	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[6]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[6]O)	H(CC[6a]CO)	106.6765	2.674	4	106.6765	7.150	4	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.5200	0.000	1	109.5200	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CNO)	H(CC[6a]CO)	109.5460	0.000	1	109.5460	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CN[5]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CN[5]O)	H(CC[6a]CO)	109.2370	0.000	1	109.2370	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)(CC[6a]C)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)(CC[6a]C)	H(CC[6a]CO)	109.7470	0.000	1	109.7470	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.8865	0.538	2	109.8865	0.290	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.7165	0.163	2	108.7165	0.027	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]CH)(CC[6a]C)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]CH)(CC[6a]C)	H(CC[6a]CO)	109.8070	0.000	1	109.8070	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.7640	0.566	6	109.7640	0.321	6	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	109.3375	0.438	2	109.3375	0.192	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	110.3650	0.000	1	110.3650	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	109.3175	0.484	2	109.3175	0.235	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	H(CC[6a]CO)	108.9280	0.083	2	108.9280	0.007	2	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]N[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(CCO)	H(CC[6a]CO)	108.9680	0.000	1	108.9680	0.000	1	108.9442	1.488	123	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-3:	C-4:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	O(CC[6a]CH)(SiCC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	O(CC[6a]CH)(SiCC)	H(CC[6a]CO)	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[3]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2C)(OC)(H)	O(CC[6a]C[3]H)(CCO)	H(CC[6a]C[3]O)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OC)(H)	O(CC[6a]C[3]H)(CCO)	H(CC[6a]C[3]O)	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]O)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]O)	H(CC[6a]C[5]O)	108.5480	0.737	2	108.5480	0.543	2	108.7841	0.690	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	O(CC[6a]C[5]H)(CNO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	O(CC[6a]C[5]H)(CNO)	H(CC[6a]C[5]O)	107.8745	0.564	2	107.8745	0.318	2	108.7841	0.690	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	109.4200	0.000	1	109.4200	0.000	1	108.7841	0.690	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	O(CC[6a]C[5]H)(CNO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	O(CC[6a]C[5]H)(CNO)	H(CC[6a]C[5]O)	108.9540	0.103	2	108.9540	0.011	2	108.7841	0.690	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]O)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]O)	H(CC[6a]C[5]O)	110.1000	0.000	1	110.1000	0.000	1	108.7841	0.690	8	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	O(CC[6a]C[6]H)(CCO)	H(CC[6a]C[6]O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	O(CC[6a]C[6]H)(CCO)	H(CC[6a]C[6]O)	108.6720	0.000	1	108.6720	0.000	1	108.7540	0.420	3	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	O(CC[6a]C[6]H)(CC[6a]O)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	O(CC[6a]C[6]H)(CC[6a]O)	H(CC[6a]C[6]O)	108.7950	0.911	2	108.7950	0.829	2	108.7540	0.420	3	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(PO3)(OC)(H)	O(CC[6a]HP)(CC[5a]O)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PO3)(OC)(H)	O(CC[6a]HP)(CC[5a]O)	H(CC[6a]OP)	109.2630	0.000	1	109.2630	0.000	1	109.6020	0.200	3	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(PO3)(OC)(H)	O(CC[6a]HP)(CC[6a]O)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PO3)(OC)(H)	O(CC[6a]HP)(CC[6a]O)	H(CC[6a]OP)	109.7715	0.477	2	109.7715	0.228	2	109.6020	0.200	3	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:P[6]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OC)(H)	O(CC[6a]P[6]H)(CCO)	H(CC[6a]P[6]O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OC)(H)	O(CC[6a]P[6]H)(CCO)	H(CC[6a]P[6]O)	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	O(CN[5a]CH)(COO)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	O(CN[5a]CH)(COO)	H(CN[5a]CO)	110.0900	0.000	1	110.0900	0.000	1	109.9300	0.193	5	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(N[5a]N[5a]2)(CH3)(OC)(H)	O(CN[5a]CH)(CCO)	H(CN[5a]CO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	O(CN[5a]CH)(CCO)	H(CN[5a]CO)	109.9773	0.569	3	109.9773	0.323	3	109.9300	0.193	5	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	3:4:2:1:	4:3:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(N[5a]N[5a]2)(CH3)(OC)(H)	O(CN[5a]CH)(COO)	H(CN[5a]CO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	O(CN[5a]CH)(COO)	H(CN[5a]CO)	109.6280	0.000	1	109.6280	0.000	1	109.9300	0.193	5	109.0430	1.304	171	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	2:4:	4:	C-4:O-2:H-1:H-1:	N-2:C-4:	C-4:	C(CCHH)(ON)(H)2	O(NC[5])(CCHH)	H(CCHO)	C(CCHH)(ON)(H)2	O(NC[5])(CCHH)	H(CCHO)	109.0845	0.026	2	109.0845	0.001	2	109.0845	0.001	2	109.0845	0.001	2	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	B-3:C-4:	C-4:	C(CC[6a]2C)(OB)(H)2	O(BC[6a]C)(CCHH)	H(CCHO)	C(CC[6a]2C)(OB)(H)2	O(BC[6a]C)(CCHH)	H(CCHO)	108.8155	0.006	2	108.8155	0.000	2	108.8352	4.266	10	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	B-3:C-4:	C-4:	C(CC[6a]HN)(OB)(H)2	O(BC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]HN)(OB)(H)2	O(BC[6a]O)(CCHH)	H(CCHO)	109.6030	0.010	2	109.6030	0.000	2	108.8352	4.266	10	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	B-3:C-4:	C-4:	C(CH3)(OB)(H)2	O(BC[6a]2)(CCHH)	H(CCHO)	C(CH3)(OB)(H)2	O(BC[6a]2)(CCHH)	H(CCHO)	110.1345	0.045	2	110.1345	0.002	2	108.8352	4.266	10	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	B-3:C-4:	C-4:	C(CH3)(OB)(H)2	O(BN[6]Os)(CCHH)	H(CCHO)	C(CH3)(OB)(H)2	O(BN[6]Os)(CCHH)	H(CCHO)	110.1970	0.018	2	110.1970	0.000	2	108.8352	4.266	10	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	B-3:C-4:	C-4:	C(CN[6]HH)(OB)(H)2	O(BC[6a]O)(CCHH)	H(CCHO)	C(CN[6]HH)(OB)(H)2	O(BC[6a]O)(CCHH)	H(CCHO)	105.4260	2.623	2	105.4260	6.882	2	108.8352	4.266	10	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CB[5]C[5]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CB[5]C[5]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	106.4810	0.430	2	106.4810	0.185	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CBrCH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CBrCH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	110.6685	0.049	2	110.6685	0.002	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CBrCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CBrCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.5060	0.278	4	109.5060	0.077	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CBrHH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CBrHH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.1380	0.040	2	109.1380	0.002	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC3)(OC)(H)2	O(CC[5]C)(CCHH)	H(CCHO)	C(CC3)(OC)(H)2	O(CC[5]C)(CCHH)	H(CCHO)	109.9980	0.033	2	109.9980	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC3)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CC3)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.7963	0.014	4	109.7963	0.000	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC3)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	C(CC3)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	109.3703	0.038	3	109.3703	0.001	3	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC3)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	C(CC3)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	109.9430	0.040	3	109.9430	0.002	3	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC3)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC3)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.1126	0.704	9	110.1126	0.496	9	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC3)(OC)(H)2	O(CN[5]C)(CCHH)	H(CCHO)	C(CC3)(OC)(H)2	O(CN[5]C)(CCHH)	H(CCHO)	109.9868	0.065	4	109.9868	0.004	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCCH)(OC)(H)2	O(CC[5,5,6]O)(CCHH)	H(CCHO)	C(CCCH)(OC)(H)2	O(CC[5,5,6]O)(CCHH)	H(CCHO)	110.3790	0.000	1	110.3790	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCCH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CCCH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.8187	0.540	15	109.8187	0.292	15	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.9297	0.382	24	109.9297	0.146	24	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCCO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCCO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.0075	1.258	6	109.0075	1.583	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCFH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCFH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.0645	0.542	10	110.0645	0.294	10	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	110.1136	0.287	18	110.1136	0.082	18	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[4]O)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[4]O)(CCHH)	H(CCHO)	109.6625	0.018	2	109.6625	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.8697	0.518	8	109.8697	0.268	8	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[5a]N)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[5a]N)(CCHH)	H(CCHO)	108.9007	0.056	6	108.9007	0.003	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	110.1180	0.247	9	110.1180	0.061	9	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.9876	0.697	16	109.9876	0.485	16	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	109.8030	0.409	9	109.8030	0.167	9	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[6a]N)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[6a]N)(CCHH)	H(CCHO)	109.0390	0.023	2	109.0390	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.8965	0.669	237	109.8965	0.447	237	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CN[4]O)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CN[4]O)(CCHH)	H(CCHO)	108.8295	0.021	2	108.8295	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CN[5a]O)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CN[5a]O)(CCHH)	H(CCHO)	109.6762	0.680	13	109.6762	0.463	13	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CN[6]O)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CN[6]O)(CCHH)	H(CCHO)	109.5120	0.356	8	109.5120	0.127	8	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHN)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CCHN)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	108.2313	3.224	3	108.2313	10.395	3	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCHN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.8645	0.330	8	109.8645	0.109	8	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CCHO)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	110.2350	0.020	2	110.2350	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	C(CCHO)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	109.3100	0.000	1	109.3100	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.9246	1.038	40	109.9246	1.078	40	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCNN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCNN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	108.0440	0.198	2	108.0440	0.039	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[3]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[3]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	107.6352	3.502	10	107.6352	12.262	10	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[3]HO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[3]HO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.1860	0.018	2	110.1860	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[4,6]CC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[4,6]CC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.1660	0.000	1	110.1660	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5,6]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5,6]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	108.7002	1.928	4	108.7002	3.717	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5]CH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5]CH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.5817	1.176	12	109.5817	1.382	12	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5]CO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5]CO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.0455	0.053	2	110.0455	0.003	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.0525	0.209	4	110.0525	0.044	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5]HN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5]HN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.7080	0.096	2	109.7080	0.009	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5]HO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5]HO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.6108	0.248	6	110.6108	0.061	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5a]CC)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CC[5a]CC)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	110.2865	0.022	2	110.2865	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5a]CH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5a]CH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.7894	0.261	5	109.7894	0.068	5	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[5a]C[6a]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[5a]C[6a]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	108.9573	0.042	4	108.9573	0.002	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6]CH)(OC)(H)2	O(CC[5,5,6]O)(CCHH)	H(CCHO)	C(CC[6]CH)(OC)(H)2	O(CC[5,5,6]O)(CCHH)	H(CCHO)	110.1545	0.037	2	110.1545	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6]CH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CC[6]CH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.9520	0.126	4	109.9520	0.016	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6]CH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6]CH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.8781	0.347	14	109.8781	0.120	14	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6]HH)(OC)(H)2	O(CC[5,5,6]O)(CCHH)	H(CCHO)	C(CC[6]HH)(OC)(H)2	O(CC[5,5,6]O)(CCHH)	H(CCHO)	109.9580	0.000	1	109.9580	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	108.7577	2.435	21	108.7577	5.930	21	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]CC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]CC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.8040	0.032	5	109.8040	0.001	5	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]CO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]CO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.5150	0.028	3	110.5150	0.001	3	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]C[3]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]C[3]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.3751	0.154	8	109.3751	0.024	8	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CC[6a]HH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	110.3913	0.152	3	110.3913	0.023	3	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HN)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	109.4240	0.021	2	109.4240	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.1420	0.013	2	109.1420	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HO)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	108.8055	0.092	4	108.8055	0.008	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.9751	0.403	12	109.9751	0.162	12	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]HS)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]HS)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.0890	0.000	1	110.0890	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]N[5]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]N[5]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.2488	0.722	6	110.2488	0.522	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CC[6a]N[6]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CC[6a]N[6]H)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.3290	0.014	2	110.3290	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCl3)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CCl3)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	110.0625	0.033	2	110.0625	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCl3)(OC)(H)2	O(CN[5]O)(CCHH)	H(CCHO)	C(CCl3)(OC)(H)2	O(CN[5]O)(CCHH)	H(CCHO)	109.9732	0.382	6	109.9732	0.146	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCl3)(OC)(H)2	O(CN[5a]O)(CCHH)	H(CCHO)	C(CCl3)(OC)(H)2	O(CN[5a]O)(CCHH)	H(CCHO)	109.2895	1.057	2	109.2895	1.118	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCl3)(OC)(H)2	O(CN[6]O)(CCHH)	H(CCHO)	C(CCl3)(OC)(H)2	O(CN[6]O)(CCHH)	H(CCHO)	110.0510	0.221	5	110.0510	0.049	5	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CClCC)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CClCC)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.5550	0.000	1	109.5550	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CClCC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CClCC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.8937	0.113	4	109.8937	0.013	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CClCH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CClCH)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.9698	0.386	4	109.9698	0.149	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CClCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CClCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.9974	0.100	10	109.9974	0.010	10	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CClHH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CClHH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.2940	0.070	7	110.2940	0.005	7	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CCo2C)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CCo2C)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.0173	0.128	3	110.0173	0.016	3	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CF3)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	C(CF3)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	110.4930	0.033	2	110.4930	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CF3)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CF3)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	110.3454	0.315	5	110.3454	0.099	5	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CF3)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CF3)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	110.4080	0.004	2	110.4080	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CF3)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CF3)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.3215	0.326	4	110.3215	0.106	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CFFH)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	C(CFFH)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	110.5410	0.000	1	110.5410	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CFFH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CFFH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.2668	0.287	6	110.2668	0.083	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CFNN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CFNN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.9115	0.040	2	109.9115	0.002	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[3,3,5]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[3,3,5]O)(CCHH)	H(CCHO)	110.0005	0.145	2	110.0005	0.021	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[3,4,5,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[3,4,5,6]O)(CCHH)	H(CCHO)	109.4235	0.480	4	109.4235	0.231	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[3,5]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[3,5]O)(CCHH)	H(CCHO)	109.2435	2.000	28	109.2435	3.998	28	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[3,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[3,6]O)(CCHH)	H(CCHO)	110.0117	0.256	10	110.0117	0.066	10	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	109.9135	0.456	174	109.9135	0.208	174	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[3x5,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[3x5,6]O)(CCHH)	H(CCHO)	110.0230	0.000	1	110.0230	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[3x6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[3x6]O)(CCHH)	H(CCHO)	110.0520	0.024	2	110.0520	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[4,5,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[4,5,6]O)(CCHH)	H(CCHO)	109.8132	0.030	4	109.8132	0.001	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[4,5]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[4,5]O)(CCHH)	H(CCHO)	109.6304	0.112	5	109.6304	0.013	5	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[4,6,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[4,6,6]O)(CCHH)	H(CCHO)	110.0333	0.346	19	110.0333	0.120	19	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[4,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[4,6]O)(CCHH)	H(CCHO)	109.9592	0.303	9	109.9592	0.092	9	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[4]Cr)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[4]Cr)(CCHH)	H(CCHO)	107.7590	0.464	2	107.7590	0.215	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[4]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[4]O)(CCHH)	H(CCHO)	109.7349	0.723	34	109.7349	0.522	34	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[4]Se)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[4]Se)(CCHH)	H(CCHO)	109.1520	0.024	2	109.1520	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5,5,6,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5,5,6,6]O)(CCHH)	H(CCHO)	110.0992	0.066	4	110.0992	0.004	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5,5,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5,5,6]O)(CCHH)	H(CCHO)	109.5363	1.144	32	109.5363	1.309	32	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5,5]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5,5]O)(CCHH)	H(CCHO)	109.9070	1.399	104	109.9070	1.958	104	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5,6,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5,6,6]O)(CCHH)	H(CCHO)	110.0300	0.010	2	110.0300	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5,6]C)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5,6]C)(CCHH)	H(CCHO)	110.3070	0.028	2	110.3070	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	109.6349	0.799	139	109.6349	0.638	139	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5]Cr)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5]Cr)(CCHH)	H(CCHO)	110.1920	0.230	6	110.1920	0.053	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5]N)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5]N)(CCHH)	H(CCHO)	110.4950	0.007	2	110.4950	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.7647	1.072	1527	109.7647	1.149	1527	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5]Re)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5]Re)(CCHH)	H(CCHO)	110.1036	0.517	12	110.1036	0.267	12	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5]Rh)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5]Rh)(CCHH)	H(CCHO)	110.0523	0.223	4	110.0523	0.050	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5]W)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5]W)(CCHH)	H(CCHO)	110.2295	0.050	2	110.2295	0.003	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5a]Cr)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5a]Cr)(CCHH)	H(CCHO)	110.3182	0.139	25	110.3182	0.019	25	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	109.9769	0.833	1179	109.9769	0.694	1179	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5a]Pt)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5a]Pt)(CCHH)	H(CCHO)	110.2030	0.309	4	110.2030	0.096	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5a]Re)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5a]Re)(CCHH)	H(CCHO)	110.4019	0.335	14	110.4019	0.112	14	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5a]W)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5a]W)(CCHH)	H(CCHO)	110.3642	0.510	25	110.3642	0.260	25	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5x3,5x5,20x6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5x3,5x5,20x6]O)(CCHH)	H(CCHO)	104.5970	0.276	2	104.5970	0.076	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6,6]O)(CCHH)	H(CCHO)	109.5463	1.235	81	109.5463	1.526	81	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6]Cr)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6]Cr)(CCHH)	H(CCHO)	109.8285	0.016	2	109.8285	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6]H)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6]H)(CCHH)	H(CCHO)	109.7410	0.000	1	109.7410	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.8309	1.003	1679	109.8309	1.006	1679	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6]Se)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6]Se)(CCHH)	H(CCHO)	110.4845	0.035	2	110.4845	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]Cr)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]Cr)(CCHH)	H(CCHO)	110.4560	0.000	1	110.4560	0.000	1	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]Ir)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]Ir)(CCHH)	H(CCHO)	110.2720	0.076	2	110.2720	0.006	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]N)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]N)(CCHH)	H(CCHO)	110.1098	0.120	13	110.1098	0.014	13	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.8797	1.495	1288	109.8797	2.234	1288	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]Re)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]Re)(CCHH)	H(CCHO)	109.9255	0.013	2	109.9255	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]W)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]W)(CCHH)	H(CCHO)	110.2140	0.190	6	110.2140	0.036	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CN[4]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CN[4]O)(CCHH)	H(CCHO)	109.8822	0.416	4	109.8822	0.173	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CN[5,6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CN[5,6]O)(CCHH)	H(CCHO)	110.0817	0.271	4	110.0817	0.073	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CN[5]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CN[5]O)(CCHH)	H(CCHO)	109.7063	0.827	84	109.7063	0.684	84	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CN[5a]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CN[5a]O)(CCHH)	H(CCHO)	109.9560	0.435	41	109.9560	0.189	41	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CN[6]C)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CN[6]C)(CCHH)	H(CCHO)	110.3455	0.006	2	110.3455	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CN[6]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CN[6]O)(CCHH)	H(CCHO)	109.9788	0.400	60	109.9788	0.160	60	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)(H)2	O(CN[6a]O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CN[6a]O)(CCHH)	H(CCHO)	109.8810	0.283	3	109.8810	0.080	3	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[4]O)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[4]O)(CCHH)	H(CCHO)	116.8705	6.503	2	116.8705	42.292	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.9775	0.112	4	109.9775	0.012	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	110.0081	0.504	7	110.0081	0.254	7	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.8477	0.540	6	109.8477	0.292	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.1712	0.468	44	110.1712	0.219	44	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	106.4895	5.054	2	106.4895	25.540	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.1214	2.534	12	109.1214	6.422	12	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[5a]O)(CCHH)	H(CCHO)	110.1598	0.360	6	110.1598	0.129	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.7778	0.637	32	109.7778	0.405	32	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	109.6525	0.540	8	109.6525	0.292	8	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.1288	0.805	43	110.1288	0.649	43	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[6a]S)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[6a]S)(CCHH)	H(CCHO)	110.8240	0.030	2	110.8240	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CN[5a]O)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CN[5a]O)(CCHH)	H(CCHO)	110.0530	0.028	2	110.0530	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHP)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	C(CHHP)(OC)(H)2	O(CC[5]O)(CCHH)	H(CCHO)	109.1040	0.133	14	109.1040	0.018	14	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHS)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CHHS)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	108.2452	1.767	4	108.2452	3.123	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHHS)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CHHS)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.8191	0.598	23	109.8191	0.357	23	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CHOO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CHOO)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.7465	0.026	2	110.7465	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CIrCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CIrCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.7100	0.045	2	109.7100	0.002	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN3)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CN3)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.4779	0.157	8	110.4779	0.025	8	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[5]CC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CN[5]CC)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.7400	0.076	4	109.7400	0.006	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[5]CH)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	C(CN[5]CH)(OC)(H)2	O(CC[3]O)(CCHH)	H(CCHO)	108.7095	0.039	2	108.7095	0.002	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[5]HH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	110.0710	0.244	3	110.0710	0.059	3	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[5]HH)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CC[6a]C)(CCHH)	H(CCHO)	109.0365	0.114	6	109.0365	0.013	6	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[5]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	108.6529	2.426	13	108.6529	5.887	13	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[5a]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CN[5a]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	109.2621	1.196	31	109.2621	1.431	31	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[6]HH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CN[6]HH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.4250	0.007	2	109.4250	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[6]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CN[6]HH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.1300	0.011	2	110.1300	0.000	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CN[6a]HH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CN[6a]HH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.7051	0.226	7	109.7051	0.051	7	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CSiCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CSiCH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	110.5580	0.074	2	110.5580	0.005	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CSiHH)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	C(CSiHH)(OC)(H)2	O(CC[5,6]O)(CCHH)	H(CCHO)	109.0530	0.027	2	109.0530	0.001	2	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CSiHH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	C(CSiHH)(OC)(H)2	O(CC[6]O)(CCHH)	H(CCHO)	109.9195	0.379	4	109.9195	0.144	4	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(CSiHH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	C(CSiHH)(OC)(H)2	O(CC[6a]O)(CCHH)	H(CCHO)	107.0007	2.679	10	107.0007	7.176	10	109.8375	1.216	7654	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(CN[5]CH)(OC[5])(H)2	O(C[5]C[5,6a]N[5])(CCHH)	H(CCHO)	C(CN[5]CH)(OC[5])(H)2	O(C[5]C[5,6a]N[5])(CCHH)	H(CCHO)	110.9445	0.036	2	110.9445	0.001	2	110.9445	0.001	2	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(CC[6]HH)(OC[6])(H)2	O(C[6]N[6]2)(CCHH)	H(CCHO)	C(CC[6]HH)(OC[6])(H)2	O(C[6]N[6]2)(CCHH)	H(CCHO)	109.1470	0.061	2	109.1470	0.004	2	110.0625	0.250	13	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(CN[5a]HH)(OC[6])(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(CN[5a]HH)(OC[6])(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	110.1835	0.013	2	110.1835	0.000	2	110.0625	0.250	13	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(CN[6]HH)(OC[6])(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(CN[6]HH)(OC[6])(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	110.3112	0.483	5	110.3112	0.233	5	110.0625	0.250	13	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:	C(CSiHH)(OC[6])(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	C(CSiHH)(OC[6])(H)2	O(C[6]C[6]2)(CCHH)	H(CCHO)	110.1488	0.073	4	110.1488	0.005	4	110.0625	0.250	13	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[5a]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CC[5a]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.1895	0.013	2	110.1895	0.000	2	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CC[6]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	108.1635	3.550	6	108.1635	12.600	6	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	C(CC[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	H(CCHO)	109.3777	0.325	11	109.3777	0.106	11	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CC[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.1898	1.489	10	109.1898	2.218	10	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(CC[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	110.4822	0.211	4	110.4822	0.044	4	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]HH)(OC[6a])(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	C(CC[6a]HH)(OC[6a])(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	109.1119	1.579	8	109.1119	2.493	8	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]HO)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CC[6a]HO)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.4694	0.733	9	109.4694	0.538	9	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5]HH)(OC[6a])(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	C(CN[5]HH)(OC[6a])(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	H(CCHO)	110.2771	0.472	8	110.2771	0.222	8	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5]HH)(OC[6a])(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	C(CN[5]HH)(OC[6a])(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	110.5085	0.021	2	110.5085	0.000	2	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CN[5]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.1578	0.488	68	110.1578	0.238	68	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5]HH)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(CN[5]HH)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	109.7936	1.966	12	109.7936	3.866	12	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5a]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CN[5a]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.0221	0.977	37	110.0221	0.955	37	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5a]HH)(OC[6a])(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	C(CN[5a]HH)(OC[6a])(H)2	O(C[6a]N[6a]2)(CCHH)	H(CCHO)	110.1270	0.008	2	110.1270	0.000	2	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[6]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CN[6]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	109.7173	0.922	71	109.7173	0.850	71	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	C(CN[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a,6a]2)(CCHH)	H(CCHO)	110.5833	0.113	4	110.5833	0.013	4	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	C(CN[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	H(CCHO)	110.4500	0.033	2	110.4500	0.001	2	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(CN[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	C(CN[6a]HH)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	H(CCHO)	110.4110	0.008	2	110.4110	0.000	2	109.8488	1.191	258	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	Ge-3:C-4:	C-4:	C(CHHN)(OGe)(H)2	O(GePdO)(CCHH)	H(CCHO)	C(CHHN)(OGe)(H)2	O(GePdO)(CCHH)	H(CCHO)	109.8425	0.006	2	109.8425	0.000	2	109.8425	0.000	2	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[3]-4:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]O[3]H)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CC[3]HH)	H(CC[3]HO)	110.1335	0.022	2	110.1335	0.000	2	110.1335	0.000	2	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[3]C[3,4]C[3]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3,4]C[3]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3]HH)	H(CC[3]HO)	108.9025	0.023	2	108.9025	0.001	2	109.9451	6.306	32	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[3]C[3]2C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]2C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3]HH)	H(CC[3]HO)	108.6172	2.658	10	108.6172	7.067	10	109.9451	6.306	32	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[3]C[3]2H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]2H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3]HH)	H(CC[3]HO)	110.1129	0.118	15	110.1129	0.014	15	109.9451	6.306	32	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a])(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a])(CC[3]HH)	H(CC[3]HO)	110.3955	0.023	2	110.3955	0.001	2	109.9451	6.306	32	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3]HH)	H(CC[3]HO)	113.9267	5.634	3	113.9267	31.741	3	109.9451	6.306	32	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[3x6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[3x6]C[6,6]3)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3x6]HH)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[3x6]HH)	H(CC[3x6]HO)	109.9360	0.018	4	109.9360	0.000	4	109.9360	0.000	4	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[4]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[4]C[4,5]C[4]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[4]HH)	H(CC[4]HO)	C(C[4]C[4,5]C[4]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[4]HH)	H(CC[4]HO)	108.4060	1.296	23	108.4060	1.680	23	108.8609	1.369	38	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[4]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[4]C[4]2H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[4]HH)	H(CC[4]HO)	C(C[4]C[4]2H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[4]HH)	H(CC[4]HO)	109.3114	0.276	7	109.3114	0.076	7	108.8609	1.369	38	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[4]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[4]C[4]N[4]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[4]HH)	H(CC[4]HO)	C(C[4]C[4]N[4]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[4]HH)	H(CC[4]HO)	109.7746	0.230	8	109.7746	0.053	8	108.8609	1.369	38	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[5,5,6]O)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[5,5,6]O)(CC[5]HH)	H(CC[5]HO)	109.2590	0.000	1	109.2590	0.000	1	109.9806	0.159	7	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5,5,6]O)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5,5,6]O)(CC[5]HH)	H(CC[5]HO)	109.8915	0.449	2	109.8915	0.202	2	109.9806	0.159	7	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5,5,6]O)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5,5,6]O)(CC[5]HH)	H(CC[5]HO)	110.2055	0.063	4	110.2055	0.004	4	109.9806	0.159	7	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]2H)(OC[5])(H)2	O(C[5]N[5]O[5])(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5,6a]2H)(OC[5])(H)2	O(C[5]N[5]O[5])(CC[5]HH)	H(CC[5]HO)	109.0565	0.039	2	109.0565	0.002	2	109.0565	0.002	2	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CC[5]HH)	H(CC[5]HO)	110.4223	1.973	6	110.4223	3.891	6	110.4223	3.891	6	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]C[5]2H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	108.9660	0.024	4	108.9660	0.001	4	110.2771	0.278	97	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	110.4017	0.257	9	110.4017	0.066	9	110.2771	0.278	97	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	110.1266	0.500	44	110.1266	0.250	44	110.2771	0.278	97	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	110.3215	0.032	2	110.3215	0.001	2	110.2771	0.278	97	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]HO)	110.5576	0.344	38	110.5576	0.118	38	110.2771	0.278	97	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6,6]HH)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6,6]HH)	H(CC[6,6]HO)	107.6645	2.884	2	107.6645	8.319	2	107.6645	8.319	2	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6]-4:O-2:H-1:H-1:	C-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(OC)(H)2	O(CC[5,5,6]O)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[5,6]C[6]H)(OC)(H)2	O(CC[5,5,6]O)(CC[6]HH)	H(CC[6]HO)	110.0048	0.215	6	110.0048	0.046	6	110.0048	0.046	6	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	109.9140	0.014	2	109.9140	0.000	2	109.8618	0.512	52	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	109.0995	0.037	2	109.0995	0.001	2	109.8618	0.512	52	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	109.7535	0.049	2	109.7535	0.002	2	109.8618	0.512	52	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2H)(OC[6a])(H)2	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	H(CC[6]HO)	109.4050	0.546	4	109.4050	0.298	4	109.8618	0.512	52	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	109.9773	0.722	28	109.9773	0.521	28	109.8618	0.512	52	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	109.8735	1.132	2	109.8735	1.282	2	109.8618	0.512	52	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	H(CC[6]HO)	108.9783	0.114	4	108.9783	0.013	4	109.8618	0.512	52	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O(C[6a]C[6a]2)(CC[6]HH)	H(CC[6]HO)	110.3290	0.606	8	110.3290	0.367	8	109.8618	0.512	52	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	P-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(PC[6a]2Au)(OC[6a])(H)2	O(C[6a]C[6a]2)(CHHP)	H(CHOP)	C(PC[6a]2Au)(OC[6a])(H)2	O(C[6a]C[6a]2)(CHHP)	H(CHOP)	109.3345	0.753	15	109.3345	0.567	15	109.0779	0.628	20	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	P-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(PC[6a]C[6]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CHHP)	H(CHOP)	C(PC[6a]C[6]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CHHP)	H(CHOP)	108.3080	0.102	5	108.3080	0.010	5	109.0779	0.628	20	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	3:4:	4:	Si-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:	C(SiC[6a]2C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CSiHH)	H(CSiHO)	C(SiC[6a]2C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CSiHH)	H(CSiHO)	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.8368	1.229	8208	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(CCHH)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	C(CCHH)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	109.7097	0.718	45	109.7097	0.515	45	109.5579	0.418	103	109.5579	0.418	103	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(CC[6a]CO)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	C(CC[6a]CO)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	108.6425	0.018	2	108.6425	0.000	2	109.5579	0.418	103	109.5579	0.418	103	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(CH3)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	C(CH3)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	109.6500	0.626	6	109.6500	0.392	6	109.5579	0.418	103	109.5579	0.418	103	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(CH3)(ON)(H)2	O(CCHH)(NRe)	H(CCHO)	C(CH3)(ON)(H)2	O(CCHH)(NRe)	H(CCHO)	110.1450	0.405	4	110.1450	0.164	4	109.5579	0.418	103	109.5579	0.418	103	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:	C-4:	C(CHHO)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	C(CHHO)(ON)(H)2	O(CCHH)(NC)	H(CCHO)	109.3861	0.516	46	109.3861	0.266	46	109.5579	0.418	103	109.5579	0.418	103	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CBrCH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CBrCH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.8912	0.122	4	109.8912	0.015	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CBrHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CBrHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	108.5704	7.002	22	108.5704	49.028	22	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.8131	0.538	23	109.8131	0.289	23	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCCH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCCH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.7307	0.627	23	109.7307	0.393	23	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCCH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CCCH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.3354	0.369	8	109.3354	0.136	8	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCCH)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	C(CCCH)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	110.3940	0.017	2	110.3940	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCCN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCCN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.0045	0.470	6	110.0045	0.221	6	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCFF)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CCFF)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.7362	0.082	4	110.7362	0.007	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CCC)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CCC)	H(CCHO)	109.1713	1.680	13	109.1713	2.824	13	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CCN)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CCN)	H(CCHO)	109.6786	5.722	7	109.6786	32.743	7	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.6066	1.461	252	109.6066	2.133	252	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CHH)	H(CCHO)	110.5377	2.150	18	110.5377	4.621	18	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CIrH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CIrH)	H(CCHO)	110.1860	0.049	2	110.1860	0.002	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.5437	1.654	26	109.5437	2.735	26	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	110.3963	0.096	4	110.3963	0.009	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	110.3310	0.000	1	110.3310	0.000	1	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CPdO)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CPdO)	H(CCHO)	109.5310	0.141	2	109.5310	0.020	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CReC)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CReC)	H(CCHO)	109.9310	0.000	1	109.9310	0.000	1	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CSS)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CSS)	H(CCHO)	110.3570	0.227	6	110.3570	0.052	6	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHN)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	C(CCHN)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	110.3295	0.012	2	110.3295	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCHN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.5659	0.946	17	109.5659	0.894	17	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHN)(OC)(H)2	O(CCHH)(CCS)	H(CCHO)	C(CCHN)(OC)(H)2	O(CCHH)(CCS)	H(CCHO)	110.3390	0.159	4	110.3390	0.025	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHN)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CCHN)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.2180	0.018	2	110.2180	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHN)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	C(CCHN)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	110.3060	0.066	4	110.3060	0.004	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCHO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCHO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.6259	1.106	55	109.6259	1.223	55	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCNN)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CCNN)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.6612	1.765	12	109.6612	3.115	12	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[3]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[3]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.6573	0.028	4	109.6573	0.001	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[3]HH)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	C(CC[3]HH)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	110.2890	0.014	2	110.2890	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5]CH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[5]CH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.9801	0.444	7	109.9801	0.197	7	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5]CO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[5]CO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.1190	0.023	2	110.1190	0.001	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[5]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	108.1051	2.034	8	108.1051	4.139	8	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	C(CC[5]HH)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	110.2375	0.028	2	110.2375	0.001	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CC[5]HH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.2480	0.502	8	110.2480	0.252	8	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5]HO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[5]HO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.2839	1.130	14	110.2839	1.278	14	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5a]2C)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[5a]2C)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.9360	0.014	2	109.9360	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5a]CH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CC[5a]CH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.3325	0.018	2	110.3325	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[5a]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[5a]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.5475	0.009	2	110.5475	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6]CH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6]CH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.3563	0.545	3	110.3563	0.297	3	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6]CH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CC[6]CH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.1358	0.042	4	110.1358	0.002	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.3708	0.287	9	110.3708	0.083	9	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6]HO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6]HO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.1218	1.730	4	110.1218	2.994	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]CH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6a]CH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.1947	0.175	3	109.1947	0.031	3	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]CO)(OC)(H)2	O(CCHH)(CHH)	H(CCHO)	C(CC[6a]CO)(OC)(H)2	O(CCHH)(CHH)	H(CCHO)	109.4855	0.910	2	109.4855	0.828	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6a]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.3997	0.230	4	110.3997	0.053	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(OC)(H)2	O(CCHH)(CSS)	H(CCHO)	C(CC[6a]HH)(OC)(H)2	O(CCHH)(CSS)	H(CCHO)	110.2405	0.039	2	110.2405	0.002	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]HN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.4410	0.000	1	110.4410	0.000	1	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]HO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6a]HO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.5755	0.009	2	110.5755	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CC[6a]N[4]H)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CC[6a]N[4]H)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.7725	0.086	2	109.7725	0.007	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCl3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCl3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.5734	1.391	8	109.5734	1.935	8	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCl3)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CCl3)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.8157	1.097	16	109.8157	1.203	16	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCl3)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	C(CCl3)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	110.0737	0.029	3	110.0737	0.001	3	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CClCH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CClCH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.1098	0.256	6	110.1098	0.065	6	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CClHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CClHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.9324	0.676	8	109.9324	0.457	8	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CClHH)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	C(CClHH)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	109.5010	0.025	2	109.5010	0.001	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CCo2C)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CCo2C)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.9824	0.343	9	109.9824	0.118	9	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CF3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CF3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.0626	0.302	20	110.0626	0.091	20	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CF3)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CF3)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.1988	0.123	6	110.1988	0.015	6	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CFHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CFHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	108.5595	0.612	2	108.5595	0.374	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CFNN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CFNN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.6985	0.040	2	110.6985	0.002	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CFNN)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CFNN)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.7715	0.046	2	110.7715	0.002	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CCC)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CCC)	H(CCHO)	109.3925	1.699	39	109.3925	2.886	39	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	109.5816	0.719	16	109.5816	0.518	16	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CCN)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CCN)	H(CCHO)	109.8254	1.938	47	109.8254	3.757	47	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.7953	1.171	4307	109.7953	1.372	4307	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CCW)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CCW)	H(CCHO)	110.1418	0.275	4	110.1418	0.075	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CHH)	H(CCHO)	109.3838	4.340	20	109.3838	18.838	20	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CHN)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CHN)	H(CCHO)	110.0314	0.431	10	110.0314	0.185	10	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CIrC)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CIrC)	H(CCHO)	110.2876	0.224	5	110.2876	0.050	5	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CIrH)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CIrH)	H(CCHO)	109.5872	0.122	4	109.5872	0.015	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CMnC)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CMnC)	H(CCHO)	108.3165	2.985	2	108.3165	8.908	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CNN)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CNN)	H(CCHO)	110.2320	0.423	26	110.2320	0.179	26	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.9940	0.659	295	109.9940	0.435	295	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	110.4865	0.114	37	110.4865	0.013	37	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	109.7188	0.699	43	109.7188	0.489	43	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(COS)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(COS)	H(CCHO)	109.9523	0.169	4	109.9523	0.028	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(COsC)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(COsC)	H(CCHO)	108.7485	0.028	2	108.7485	0.001	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(COsO)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(COsO)	H(CCHO)	110.4960	0.076	2	110.4960	0.006	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CPdC)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CPdC)	H(CCHO)	110.3902	0.039	4	110.3902	0.002	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CReC)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CReC)	H(CCHO)	110.2400	0.214	4	110.2400	0.046	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CRuC)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CRuC)	H(CCHO)	109.9725	0.053	2	109.9725	0.003	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CRuO)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CRuO)	H(CCHO)	110.3913	0.093	3	110.3913	0.009	3	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CSS)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CSS)	H(CCHO)	109.3050	2.218	25	109.3050	4.919	25	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHI)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CHHI)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.5273	0.285	4	109.5273	0.081	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	108.2975	1.764	2	108.2975	3.113	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CHHN)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.7281	0.831	56	109.7281	0.690	56	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(OC)(H)2	O(CCHH)(CCW)	H(CCHO)	C(CHHN)(OC)(H)2	O(CCHH)(CCW)	H(CCHO)	109.3385	0.016	2	109.3385	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CHHN)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.3745	0.446	4	110.3745	0.199	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHN)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	C(CHHN)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	109.4946	1.027	8	109.4946	1.055	8	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CCC)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CCC)	H(CCHO)	109.6783	0.940	34	109.6783	0.883	34	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CCH)	H(CCHO)	109.7114	0.431	17	109.7114	0.186	17	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CCN)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CCN)	H(CCHO)	110.4540	0.000	1	110.4540	0.000	1	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.1386	1.513	24	110.1386	2.289	24	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	110.2125	0.039	2	110.2125	0.002	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.2469	0.300	14	110.2469	0.090	14	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHP)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CHHP)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.2310	2.750	4	109.2310	7.564	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CHHS)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CHHS)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.8435	0.111	4	109.8435	0.012	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CN3)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.9275	1.381	2	110.9275	1.907	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN3)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CN3)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	110.1565	0.074	6	110.1565	0.005	6	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN3)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	C(CN3)(OC)(H)2	O(CCHH)(COO)	H(CCHO)	110.6760	1.970	4	110.6760	3.881	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[3x6]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CN[3x6]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.3405	0.049	2	109.3405	0.002	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[5]CC)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CN[5]CC)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.9535	0.015	2	109.9535	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[5]CH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CN[5]CH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.6393	0.447	3	109.6393	0.199	3	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[5]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.3745	2.123	12	109.3745	4.509	12	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[5]HH)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CCHH)(CNS)	H(CCHO)	107.7000	0.286	2	107.7000	0.082	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[5]HH)(OC)(H)2	O(CCHH)(CSS)	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CCHH)(CSS)	H(CCHO)	110.4877	0.024	3	110.4877	0.001	3	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[5a]HH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	C(CN[5a]HH)(OC)(H)2	O(CCHH)(CNO)	H(CCHO)	109.2670	0.004	2	109.2670	0.000	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[6]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CN[6]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	109.9230	0.000	1	109.9230	0.000	1	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[6a]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CN[6a]HH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	108.7155	4.021	2	108.7155	16.171	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CN[6a]HH)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	C(CN[6a]HH)(OC)(H)2	O(CCHH)(CHO)	H(CCHO)	110.5890	2.160	2	110.5890	4.663	2	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(CSiHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	C(CSiHH)(OC)(H)2	O(CCHH)(CCO)	H(CCHO)	110.2428	0.366	4	110.2428	0.134	4	109.7977	1.631	5817	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(OC)(H)2	O(CC[3,5]HH)(CCO)	H(CC[3,5]HO)	C(C[3,5]C[3,5]C[3]C[5])(OC)(H)2	O(CC[3,5]HH)(CCO)	H(CC[3,5]HO)	110.6375	0.006	2	110.6375	0.000	2	108.8367	6.001	4	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(OC)(H)2	O(CC[3,5]HH)(CC[6a]O)	H(CC[3,5]HO)	C(C[3,5]C[3,5]C[3]C[5])(OC)(H)2	O(CC[3,5]HH)(CC[6a]O)	H(CC[3,5]HO)	107.0360	2.243	2	107.0360	5.031	2	108.8367	6.001	4	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3,6]C[3,6]C[6,6]O[3])(OC)(H)2	O(CC[3,6]HH)(CC[6a]O)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6,6]O[3])(OC)(H)2	O(CC[3,6]HH)(CC[6a]O)	H(CC[3,6]HO)	109.7605	0.069	2	109.7605	0.005	2	109.7884	0.097	8	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O(CC[3,6]HH)(CCO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O(CC[3,6]HH)(CCO)	H(CC[3,6]HO)	109.8655	0.012	2	109.8655	0.000	2	109.7884	0.097	8	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O(CC[3,6]HH)(CC[6a]O)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O(CC[3,6]HH)(CC[6a]O)	H(CC[3,6]HO)	109.7638	0.469	4	109.7638	0.220	4	109.7884	0.097	8	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2C)(OC)(H)2	O(CC[3]HH)(CC[6a]O)	H(CC[3]HO)	C(C[3]C[3]2C)(OC)(H)2	O(CC[3]HH)(CC[6a]O)	H(CC[3]HO)	109.7110	0.448	4	109.7110	0.200	4	109.8653	0.439	49	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)(OC)(H)2	O(CC[3]HH)(CCO)	H(CC[3]HO)	C(C[3]C[3]2H)(OC)(H)2	O(CC[3]HH)(CCO)	H(CC[3]HO)	110.3145	0.015	2	110.3145	0.000	2	109.8653	0.439	49	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)(OC)(H)2	O(CC[3]HH)(CC[5a]O)	H(CC[3]HO)	C(C[3]C[3]2H)(OC)(H)2	O(CC[3]HH)(CC[5a]O)	H(CC[3]HO)	109.3375	0.013	2	109.3375	0.000	2	109.8653	0.439	49	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)(OC)(H)2	O(CC[3]HH)(CC[6a]O)	H(CC[3]HO)	C(C[3]C[3]2H)(OC)(H)2	O(CC[3]HH)(CC[6a]O)	H(CC[3]HO)	110.0091	0.348	13	110.0091	0.121	13	109.8653	0.439	49	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)(OC)(H)2	O(CC[3]HH)(COO)	H(CC[3]HO)	C(C[3]C[3]2H)(OC)(H)2	O(CC[3]HH)(COO)	H(CC[3]HO)	110.1240	0.007	2	110.1240	0.000	2	109.8653	0.439	49	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]C)(OC)(H)2	O(CC[3]HH)(CC[6a]O)	H(CC[3]HO)	C(C[3]C[3]O[3]C)(OC)(H)2	O(CC[3]HH)(CC[6a]O)	H(CC[3]HO)	110.3005	0.008	2	110.3005	0.000	2	109.8653	0.439	49	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(OC)(H)2	O(CC[3]HH)(CC[3]O)	H(CC[3]HO)	C(C[3]C[3]O[3]H)(OC)(H)2	O(CC[3]HH)(CC[3]O)	H(CC[3]HO)	109.9240	0.739	7	109.9240	0.546	7	109.8653	0.439	49	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(OC)(H)2	O(CC[3]HH)(CC[6a]O)	H(CC[3]HO)	C(C[3]C[3]O[3]H)(OC)(H)2	O(CC[3]HH)(CC[6a]O)	H(CC[3]HO)	110.1573	0.382	9	110.1573	0.146	9	109.8653	0.439	49	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(OC)(H)2	O(CC[3]HH)(CNO)	H(CC[3]HO)	C(C[3]C[3]O[3]H)(OC)(H)2	O(CC[3]HH)(CNO)	H(CC[3]HO)	109.1754	1.078	8	109.1754	1.162	8	109.8653	0.439	49	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3x4,3x6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(OC)(H)2	O(CC[3x4,3x6]HH)(CC[6a]O)	H(CC[3x4,3x6]HO)	C(C[3x4,3x6]C[3x4,3x6]3)(OC)(H)2	O(CC[3x4,3x6]HH)(CC[6a]O)	H(CC[3x4,3x6]HO)	110.4718	0.139	4	110.4718	0.019	4	110.4718	0.019	4	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3x4,3x6]-4:O-2:H-1:H-1:	C-4:C[6a]-3:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(OC[6a])(H)2	O(CC[3x4,3x6]HH)(C[6a]C[6a]2)	H(CC[3x4,3x6]HO)	C(C[3x4,3x6]C[3x4,3x6]3)(OC[6a])(H)2	O(CC[3x4,3x6]HH)(C[6a]C[6a]2)	H(CC[3x4,3x6]HO)	110.5820	0.030	2	110.5820	0.001	2	110.5820	0.001	2	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	O(CC[3x6]HH)(CCO)	H(CC[3x6]HO)	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	O(CC[3x6]HH)(CCO)	H(CC[3x6]HO)	110.2185	1.826	2	110.2185	3.336	2	109.8725	0.566	8	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3x6]C[6,6]3)(OC)(H)2	O(CC[3x6]HH)(CCO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OC)(H)2	O(CC[3x6]HH)(CCO)	H(CC[3x6]HO)	109.4415	0.013	2	109.4415	0.000	2	109.8725	0.566	8	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[3x6]C[6,6]3)(OC)(H)2	O(CC[3x6]HH)(CC[6a]O)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OC)(H)2	O(CC[3x6]HH)(CC[6a]O)	H(CC[3x6]HO)	109.9150	0.047	4	109.9150	0.002	4	109.8725	0.566	8	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4,5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4,5,6]C[4,5]C[4,6]C[5,6])(OC)(H)2	O(CC[4,5,6]HH)(CC[6a]O)	H(CC[4,5,6]HO)	C(C[4,5,6]C[4,5]C[4,6]C[5,6])(OC)(H)2	O(CC[4,5,6]HH)(CC[6a]O)	H(CC[4,5,6]HO)	108.2010	0.522	2	108.2010	0.272	2	108.2010	0.272	2	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4,5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4,5]C[4,5]O[4]O[5])(OC)(H)2	O(CC[4,5]HH)(CC[4]O)	H(CC[4,5]HO)	C(C[4,5]C[4,5]O[4]O[5])(OC)(H)2	O(CC[4,5]HH)(CC[4]O)	H(CC[4,5]HO)	108.2473	1.941	4	108.2473	3.769	4	108.2473	3.769	4	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4,6]C[4,6]C[6]N[4])(OC)(H)2	O(CC[4,6]HH)(CCO)	H(CC[4,6]HO)	C(C[4,6]C[4,6]C[6]N[4])(OC)(H)2	O(CC[4,6]HH)(CCO)	H(CC[4,6]HO)	109.4915	0.028	2	109.4915	0.001	2	109.4915	0.001	2	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4]C[4,5]C[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	C(C[4]C[4,5]C[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	110.0770	0.373	4	110.0770	0.139	4	109.9472	0.588	29	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4]C[4,6]C[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	C(C[4]C[4,6]C[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	110.1300	0.027	2	110.1300	0.001	2	109.9472	0.588	29	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]2C)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	C(C[4]C[4]2C)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	110.5100	0.025	2	110.5100	0.001	2	109.9472	0.588	29	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]2H)(OC)(H)2	O(CC[4]HH)(CCO)	H(CC[4]HO)	C(C[4]C[4]2H)(OC)(H)2	O(CC[4]HH)(CCO)	H(CC[4]HO)	109.8140	0.004	2	109.8140	0.000	2	109.9472	0.588	29	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]2H)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	C(C[4]C[4]2H)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	110.3600	0.011	2	110.3600	0.000	2	109.9472	0.588	29	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]2H)(OC)(H)2	O(CC[4]HH)(CNO)	H(CC[4]HO)	C(C[4]C[4]2H)(OC)(H)2	O(CC[4]HH)(CNO)	H(CC[4]HO)	109.7886	1.147	10	109.7886	1.317	10	109.9472	0.588	29	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[4]HH)(CCO)	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[4]HH)(CCO)	H(CC[4]HO)	108.9030	0.141	2	108.9030	0.020	2	109.9472	0.588	29	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]O[4]C)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	C(C[4]C[4]O[4]C)(OC)(H)2	O(CC[4]HH)(CC[6a]O)	H(CC[4]HO)	110.0807	0.260	4	110.0807	0.068	4	109.9472	0.588	29	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]O[4]H)(OC)(H)2	O(CC[4]HH)(CCO)	H(CC[4]HO)	C(C[4]C[4]O[4]H)(OC)(H)2	O(CC[4]HH)(CCO)	H(CC[4]HO)	110.5180	0.000	1	110.5180	0.000	1	109.9472	0.588	29	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	O(CC[5,5,6]HH)(CC[6a]O)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	O(CC[5,5,6]HH)(CC[6a]O)	H(CC[5,5,6]HO)	110.5160	0.006	2	110.5160	0.000	2	110.5160	0.000	2	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,5]C[3x5,6]2O)(OC)(H)2	O(CC[5,5]HH)(CC[5]O)	H(CC[5,5]HO)	C(C[5,5]C[3x5,6]2O)(OC)(H)2	O(CC[5,5]HH)(CC[5]O)	H(CC[5,5]HO)	109.9870	0.045	4	109.9870	0.002	4	110.1171	0.131	14	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,5]C[5,5,6]2C)(OC)(H)2	O(CC[5,5]HH)(CCO)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]2C)(OC)(H)2	O(CC[5,5]HH)(CCO)	H(CC[5,5]HO)	110.1680	0.222	4	110.1680	0.049	4	110.1171	0.131	14	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,5]C[5,5]C[5]2)(OC)(H)2	O(CC[5,5]HH)(CC[6a]O)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]2)(OC)(H)2	O(CC[5,5]HH)(CC[6a]O)	H(CC[5,5]HO)	109.6325	0.011	2	109.6325	0.000	2	110.1171	0.131	14	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,5]N[5,5,6]C[5]2)(OC)(H)2	O(CC[5,5]HH)(CCO)	H(CC[5,5]HO)	C(C[5,5]N[5,5,6]C[5]2)(OC)(H)2	O(CC[5,5]HH)(CCO)	H(CC[5,5]HO)	110.4385	0.445	4	110.4385	0.198	4	110.1171	0.131	14	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[3,5,6]C[5,6,6]H)(OC)(H)2	O(CC[5,6]HH)(CC[6a]O)	H(CC[5,6]HO)	C(C[5,6]C[3,5,6]C[5,6,6]H)(OC)(H)2	O(CC[5,6]HH)(CC[6a]O)	H(CC[5,6]HO)	110.4830	0.033	2	110.4830	0.001	2	110.2837	2.877	28	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC)(H)2	O(CC[5,6]HH)(CCO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC)(H)2	O(CC[5,6]HH)(CCO)	H(CC[5,6]HO)	110.3175	0.021	2	110.3175	0.000	2	110.2837	2.877	28	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	O(CC[5,6]HH)(CCO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	O(CC[5,6]HH)(CCO)	H(CC[5,6]HO)	110.5180	0.034	6	110.5180	0.001	6	110.2837	2.877	28	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	O(CC[5,6]HH)(CC[6a]O)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	O(CC[5,6]HH)(CC[6a]O)	H(CC[5,6]HO)	111.5590	4.680	4	111.5590	21.898	4	110.2837	2.877	28	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,6]2H)(OC)(H)2	O(CC[5,6]HH)(CNO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2H)(OC)(H)2	O(CC[5,6]HH)(CNO)	H(CC[5,6]HO)	109.4200	0.006	2	109.4200	0.000	2	110.2837	2.877	28	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CCO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CCO)	H(CC[5,6]HO)	109.7120	0.380	3	109.7120	0.145	3	110.2837	2.877	28	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CC[6a]O)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CC[6a]O)	H(CC[5,6]HO)	109.7950	0.160	4	109.7950	0.025	4	110.2837	2.877	28	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CN[5a]O)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CN[5a]O)	H(CC[5,6]HO)	110.0750	0.588	3	110.0750	0.346	3	110.2837	2.877	28	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CC[6a]O)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CC[6a]O)	H(CC[5,6]HO)	109.8085	0.032	2	109.8085	0.001	2	110.2837	2.877	28	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[3,5]N[5]H)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	C(C[5]C[3,5]N[5]H)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	109.9165	0.240	4	109.9165	0.058	4	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[3,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[3,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.3675	0.013	2	110.3675	0.000	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[3x5]C[5]C)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[3x5]C[5]C)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.3435	0.032	2	109.3435	0.001	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[3x5]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[3x5]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.2233	0.190	4	110.2233	0.036	4	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[4,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.9322	0.506	4	109.9322	0.256	4	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[4,5]O[5]H)(OC)(H)2	O(CC[5]HH)(COO)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	O(CC[5]HH)(COO)	H(CC[5]HO)	110.0360	0.000	1	110.0360	0.000	1	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[4]C[5]O[5])(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[4]C[5]O[5])(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	109.7376	0.264	7	109.7376	0.069	7	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	110.0755	0.018	2	110.0755	0.000	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	104.1900	2.280	2	104.1900	5.197	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.4422	2.577	10	110.4422	6.641	10	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.8605	0.393	4	109.8605	0.154	4	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.4988	0.061	5	110.4988	0.004	5	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5,6]C[5]C)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.2285	0.028	2	110.2285	0.001	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	109.3746	1.225	17	109.3746	1.500	17	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	109.9080	0.235	2	109.9080	0.055	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(OC)(H)2	O(CC[5]HH)(CHO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	O(CC[5]HH)(CHO)	H(CC[5]HO)	109.1620	0.000	1	109.1620	0.000	1	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.6450	0.127	3	109.6450	0.016	3	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]2H)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	C(C[5]C[5,6a]2H)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	109.4310	1.614	84	109.4310	2.605	84	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]2H)(OC)(H)2	O(CC[5]HH)(CN[5]O)	H(CC[5]HO)	C(C[5]C[5,6a]2H)(OC)(H)2	O(CC[5]HH)(CN[5]O)	H(CC[5]HO)	109.6237	0.347	7	109.6237	0.120	7	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]2H)(OC)(H)2	O(CC[5]HH)(CN[6]O)	H(CC[5]HO)	C(C[5]C[5,6a]2H)(OC)(H)2	O(CC[5]HH)(CN[6]O)	H(CC[5]HO)	109.8265	0.435	8	109.8265	0.189	8	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]2H)(OC)(H)2	O(CC[5]HH)(CSS)	H(CC[5]HO)	C(C[5]C[5,6a]2H)(OC)(H)2	O(CC[5]HH)(CSS)	H(CC[5]HO)	110.0515	0.018	2	110.0515	0.000	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.9450	0.037	2	110.9450	0.001	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]N[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5,6a]N[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	109.9775	0.083	2	109.9775	0.007	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	110.1880	0.011	2	110.1880	0.000	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[3]O)	H(CC[5]HO)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[3]O)	H(CC[5]HO)	110.3135	0.011	2	110.3135	0.000	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2C)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.1825	0.627	8	110.1825	0.393	8	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.8942	0.571	5	109.8942	0.326	5	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CC[5]O)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CC[5]O)	H(CC[5]HO)	109.0815	0.005	2	109.0815	0.000	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CC[6]O)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CC[6]O)	H(CC[5]HO)	109.4300	0.041	2	109.4300	0.002	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.4335	0.025	4	109.4335	0.001	4	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	109.8202	0.848	23	109.8202	0.720	23	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Ir)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]2Ir)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.7477	1.008	4	109.7477	1.017	4	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2O)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.8330	0.000	1	109.8330	0.000	1	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2O)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.1132	0.033	4	110.1132	0.001	4	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Rh)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]2Rh)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	110.0935	0.103	2	110.0935	0.011	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Ru)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]2Ru)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	110.8625	0.021	2	110.8625	0.000	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.9856	0.324	8	109.9856	0.105	8	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.9394	0.559	9	109.9394	0.313	9	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.0905	0.941	12	110.0905	0.886	12	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(COO)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(COO)	H(CC[5]HO)	110.0132	0.080	5	110.0132	0.006	5	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.8676	0.654	10	109.8676	0.428	10	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	109.9505	0.138	4	109.9505	0.019	4	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.7084	0.628	45	109.7084	0.395	45	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	109.9005	0.949	62	109.9005	0.901	62	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	110.4720	0.035	2	110.4720	0.001	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]O)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	109.4695	0.005	2	109.4695	0.000	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]S[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]O)	H(CC[5]HO)	110.5062	4.240	6	110.5062	17.974	6	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]N[5,5]C[5]C)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	C(C[5]N[5,5]C[5]C)(OC)(H)2	O(CC[5]HH)(CNO)	H(CC[5]HO)	109.5565	0.310	4	109.5565	0.096	4	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[5]N[5,5]C[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OC)(H)2	O(CC[5]HH)(CCO)	H(CC[5]HO)	110.0750	0.250	2	110.0750	0.063	2	109.7687	1.508	409	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	108.9545	0.812	2	108.9545	0.660	2	109.6912	0.225	45	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	109.8570	0.612	4	109.8570	0.374	4	109.6912	0.225	45	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	110.1506	0.333	10	110.1506	0.111	10	109.6912	0.225	45	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	O(CC[6,6]HH)(CC[6a]O)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	O(CC[6,6]HH)(CC[6a]O)	H(CC[6,6]HO)	109.9820	0.034	2	109.9820	0.001	2	109.6912	0.225	45	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	O(CC[6,6]HH)(CC[6a]O)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	O(CC[6,6]HH)(CC[6a]O)	H(CC[6,6]HO)	109.9050	0.064	2	109.9050	0.004	2	109.6912	0.225	45	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	109.3956	0.237	19	109.3956	0.056	19	109.6912	0.225	45	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	109.4380	0.017	2	109.4380	0.000	2	109.6912	0.225	45	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[6,6]2C[6])(OC)(H)2	O(CC[6,6]HH)(CC[6a]O)	H(CC[6,6]HO)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	O(CC[6,6]HH)(CC[6a]O)	H(CC[6,6]HO)	110.1510	0.000	1	110.1510	0.000	1	109.6912	0.225	45	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	O(CC[6,6]HH)(CCO)	H(CC[6,6]HO)	109.9820	0.384	3	109.9820	0.147	3	109.6912	0.225	45	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[3x6]C[6]2)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[3x6]C[6]2)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.9225	0.021	2	109.9225	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[3x6]C[6]O)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[3x6]C[6]O)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.8950	0.010	2	109.8950	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	108.6775	0.075	4	108.6775	0.006	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[5,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	110.2745	0.025	4	110.2745	0.001	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CNO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CNO)	H(CC[6]HO)	110.2737	0.121	4	110.2737	0.015	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]C[6]O)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[5,6]C[6]O)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	109.9200	2.075	2	109.9200	4.304	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]O[6]C)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[5,6]O[6]C)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	107.2870	2.329	2	107.2870	5.425	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	110.3840	0.073	4	110.3840	0.005	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	110.2020	0.130	3	110.2020	0.017	3	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CN[5a]S)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CN[5a]S)	H(CC[6]HO)	110.6750	0.042	2	110.6750	0.002	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]2H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6,6]2H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	109.0350	1.652	4	109.0350	2.728	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	109.6765	0.339	12	109.6765	0.115	12	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.9509	0.148	10	109.9509	0.022	10	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	109.5532	0.731	6	109.5532	0.534	6	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	110.2707	0.165	6	110.2707	0.027	6	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.6693	0.102	4	109.6693	0.010	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	O(CC[6]HH)(CCC)	H(CC[6]HO)	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	O(CC[6]HH)(CCC)	H(CC[6]HO)	110.1005	0.063	2	110.1005	0.004	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6a]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[5]O)	H(CC[6]HO)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[5]O)	H(CC[6]HO)	110.0950	0.068	4	110.0950	0.005	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6a]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.2520	0.000	1	109.2520	0.000	1	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6a]C[6]H)(OC)(H)2	O(CC[6]HH)(CNO)	H(CC[6]HO)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	O(CC[6]HH)(CNO)	H(CC[6]HO)	110.5630	0.132	2	110.5630	0.017	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	O(CC[6]HH)(CC[6]O)	H(CC[6]HO)	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	O(CC[6]HH)(CC[6]O)	H(CC[6]HO)	110.2040	0.000	1	110.2040	0.000	1	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6a]N[6]C)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6,6a]N[6]C)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	109.1425	0.743	2	109.1425	0.552	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2Br)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6]2Br)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.6685	0.030	2	109.6685	0.001	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	110.0355	0.133	4	110.0355	0.018	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)(CC[5]O)	H(CC[6]HO)	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)(CC[5]O)	H(CC[6]HO)	110.1335	0.008	2	110.1335	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)(CC[5a]O)	H(CC[6]HO)	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)(CC[5a]O)	H(CC[6]HO)	109.8240	0.004	2	109.8240	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.9091	0.376	17	109.9091	0.142	17	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	109.6666	0.453	11	109.6666	0.205	11	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.7779	0.455	8	109.7779	0.207	8	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CNO)	H(CC[6]HO)	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CNO)	H(CC[6]HO)	109.8000	0.017	2	109.8000	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(COO)	H(CC[6]HO)	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(COO)	H(CC[6]HO)	109.9735	0.013	2	109.9735	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2O)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6]2O)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	109.3855	0.453	4	109.3855	0.205	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2O)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6]2O)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.7816	0.494	14	109.7816	0.244	14	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]3)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6]3)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.7245	0.057	2	109.7245	0.003	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6]H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6]N[6]H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	109.9178	0.391	12	109.9178	0.153	12	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6]N[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	110.5200	0.407	4	110.5200	0.165	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	109.9810	0.689	360	109.9810	0.474	360	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	110.0357	2.701	16	110.0357	7.294	16	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(COO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(COO)	H(CC[6]HO)	110.7947	0.050	4	110.7947	0.003	4	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]O)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	C(C[6]C[6]O[6]O)(OC)(H)2	O(CC[6]HH)(CCO)	H(CC[6]HO)	107.1075	0.292	2	107.1075	0.085	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]S[6]H)(OC)(H)2	O(CC[6]HH)(CC[5a]O)	H(CC[6]HO)	C(C[6]C[6]S[6]H)(OC)(H)2	O(CC[6]HH)(CC[5a]O)	H(CC[6]HO)	110.5950	0.014	2	110.5950	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6a]C[6]2)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6a]C[6]2)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.3384	1.491	8	109.3384	2.223	8	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6a]O[6]2)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]C[6a]O[6]2)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.6677	0.370	12	109.6677	0.137	12	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]C[6a]S[6]2)(OC)(H)2	O(CC[6]HH)(CCN)	H(CC[6]HO)	C(C[6]C[6a]S[6]2)(OC)(H)2	O(CC[6]HH)(CCN)	H(CC[6]HO)	109.8500	0.047	2	109.8500	0.002	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]N[5,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]N[5,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	108.8515	0.011	2	108.8515	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]N[6,6]C[6]H)(OC)(H)2	O(CC[6]HH)(COO)	H(CC[6]HO)	C(C[6]N[6,6]C[6]H)(OC)(H)2	O(CC[6]HH)(COO)	H(CC[6]HO)	110.1160	0.017	2	110.1160	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(C[6]N[6,6a]C[6,6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	C(C[6]N[6,6a]C[6,6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]O)	H(CC[6]HO)	109.3100	0.014	2	109.3100	0.000	2	109.9131	0.681	581	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	Ge-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(GeO3)(OC)(H)2	O(CGeHH)(CNO)	H(CGeHO)	C(GeO3)(OC)(H)2	O(CGeHH)(CNO)	H(CGeHO)	109.1685	0.008	2	109.1685	0.000	2	109.1685	0.000	2	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	P-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(PCOO)(OC)(H)2	O(CHHP)(CCO)	H(CHOP)	C(PCOO)(OC)(H)2	O(CHHP)(CCO)	H(CHOP)	109.7650	0.020	2	109.7650	0.000	2	109.7650	0.000	2	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:1:1:	4:3:	4:	Si-4:O-2:H-1:H-1:	C-4:C-3:	C-4:	C(SiC3)(OC)(H)2	O(CSiHH)(CNO)	H(CSiHO)	C(SiC3)(OC)(H)2	O(CSiHH)(CNO)	H(CSiHO)	107.1052	2.450	26	107.1052	6.001	26	107.1052	6.001	26	109.7973	1.568	7038	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	3:4:	4:	C-4:C-2:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CC)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	C(CCHH)(CC)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	109.6910	0.000	1	109.6910	0.000	1	109.8160	0.532	4	110.2602	1.108	10	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	3:4:	4:	C-4:C-2:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHO)(CN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.8400	1.254	2	109.8400	1.574	2	109.8160	0.532	4	110.2602	1.108	10	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	3:4:	4:	C-4:C-2:O-2:H-1:	C-3:C-4:	C-4:	C(CC[5a]HH)(CC)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	C(CC[5a]HH)(CC)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	109.8930	0.000	1	109.8930	0.000	1	109.8160	0.532	4	110.2602	1.108	10	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	3:4:	4:	C-4:O-2:C-2:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]HH)(OC[6a])(CC)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(CC[6a]HH)(OC[6a])(CC)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	110.2602	1.108	10	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	3:4:	4:	C-4:O-2:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)(OC)2(H)	O(CC[6a]O)(CCHO)	H(CCOO)	C(CH3)(OC)2(H)	O(CC[6a]O)(CCHO)	H(CCOO)	111.3720	0.000	1	111.3720	0.000	1	111.4717	0.008	3	110.2602	1.108	10	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	3:4:	4:	C-4:O-2:O-2:H-1:	C-3:C-4:	C-4:	C(CHHO)(OC)2(H)	O(CC[6a]O)(CCHO)	H(CCOO)	C(CHHO)(OC)2(H)	O(CC[6a]O)(CCHO)	H(CCOO)	111.5215	0.036	2	111.5215	0.001	2	111.4717	0.008	3	110.2602	1.108	10	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	3:4:	4:	C-4:O-2:O-2:H-1:	C[6]-3:C-4:	C-4:	C(CC[5]HH)(OC[6])(OC)(H)	O(C[6]C[6,6]C[6])(CCHO)	H(CCOO)	C(CC[5]HH)(OC[6])(OC)(H)	O(C[6]C[6,6]C[6])(CCHO)	H(CCOO)	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	110.2602	1.108	10	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	3:4:	4:	C[5,5]-4:O-2:C-2:H-1:	C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	O(C[6a]C[6a]2)(CC[5,5]CH)	H(CC[5,5]CO)	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	O(C[6a]C[6a]2)(CC[5,5]CH)	H(CC[5,5]CO)	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	110.2602	1.108	10	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	4:3:	4:	C-4:C-2:O-2:H-1:	C-4:C-3:	C-4:	C(CC3)(CC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC3)(CC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.0900	0.000	1	109.0900	0.000	1	109.4793	0.123	3	109.7012	0.938	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	4:3:	4:	C-4:C-2:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.6740	0.137	2	109.6740	0.019	2	109.4793	0.123	3	109.7012	0.938	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	4:3:	4:	C-4:O-2:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(OC[6])(OC)(H)	O(CCHO)(CCO)	H(CCOO)	C(CC[5]HH)(OC[6])(OC)(H)	O(CCHO)(CCO)	H(CCOO)	108.7820	0.000	1	108.7820	0.000	1	110.0340	3.135	2	109.7012	0.938	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:2:1:	4:3:	4:	C-4:O-2:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)(OC)2(H)	O(CCHO)(COO)	H(CCOO)	C(CH3)(OC)2(H)	O(CCHO)(COO)	H(CCOO)	111.2860	0.000	1	111.2860	0.000	1	110.0340	3.135	2	109.7012	0.938	5	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:3:1:	3:4:	4:	C-4:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]HO)(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(CC[6a]HO)(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	109.6755	0.073	2	109.6755	0.005	2	109.6755	0.005	2	109.7527	0.021	3	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:3:1:	3:4:	4:	Si-4:O-2:C-3:H-1:	B[5]-3:C-4:	C-4:	C(SiC[6a]CC)(OB[5])(CCH)(H)	O(B[5]O[5]2)(CSiCH)	H(CSiCO)	C(SiC[6a]CC)(OB[5])(CCH)(H)	O(B[5]O[5]2)(CSiCH)	H(CSiCO)	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.7527	0.021	3	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:4:1:	3:4:	4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]HO)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(CC[6a]HO)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	109.5750	0.100	2	109.5750	0.010	2	109.3657	0.236	13	109.3657	0.236	13	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:4:1:	3:4:	4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(CC[6a]HO)(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	109.5249	0.442	8	109.5249	0.196	8	109.3657	0.236	13	109.3657	0.236	13	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:4:1:	3:4:	4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5a]HH)(OC[6a])(CC3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(CN[5a]HH)(OC[6a])(CC3)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	108.7420	0.431	2	108.7420	0.186	2	109.3657	0.236	13	109.3657	0.236	13	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:2:4:1:	3:4:	4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:	C-4:	C(CN[5a]HH)(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	C(CN[5a]HH)(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCCH)	H(CCCO)	108.9210	0.000	1	108.9210	0.000	1	109.3657	0.236	13	109.3657	0.236	13	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CCC)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	C(CCCH)(CCC)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	109.2610	0.000	1	109.2610	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCCH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.4928	1.504	4	108.4928	2.263	4	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CNO)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	C(CCCH)(CNO)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	109.0190	0.000	1	109.0190	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCCN)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCCN)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.3820	0.000	1	109.3820	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCFF)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCFF)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.3620	0.110	2	109.3620	0.012	2	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.6450	0.346	3	109.6450	0.120	3	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CCH)(OC)(H)	O(CC[4]O)(CCCH)	H(CCCO)	C(CCHH)(CCH)(OC)(H)	O(CC[4]O)(CCCH)	H(CCCO)	109.7640	0.000	1	109.7640	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CCH)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	C(CCHH)(CCH)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	109.7940	0.000	1	109.7940	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.5028	0.465	5	109.5028	0.216	5	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHH)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.1760	0.000	1	110.1760	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHH)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.0595	1.141	2	110.0595	1.301	2	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHO)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.4849	0.433	7	108.4849	0.188	7	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CCH)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	109.5650	0.000	1	109.5650	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.4370	0.000	1	109.4370	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CCO)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	C(CCHO)(CCO)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	108.7680	0.000	1	108.7680	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.5890	0.802	9	108.5890	0.643	9	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.7984	0.670	45	108.7984	0.449	45	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CC[3]HH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[3]HH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.1990	0.000	1	109.1990	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]CN)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]CN)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.5180	0.000	1	109.5180	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	111.4910	0.000	1	111.4910	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CH3)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	107.4665	3.186	2	107.4665	10.148	2	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CH3)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.4380	0.067	4	110.4380	0.004	4	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CH3)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.9170	0.000	1	109.9170	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)(CNO)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	C(CH3)(CNO)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	109.0930	0.000	1	109.0930	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CH3)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.7715	0.412	4	110.7715	0.169	4	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)(COO)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	C(CH3)(COO)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	109.5700	0.000	1	109.5700	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CHHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CHHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.6380	0.000	1	110.6380	0.000	1	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:	C(CN[5a]HH)(CC[6a]O)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.8035	0.591	31	109.8035	0.350	31	109.2549	0.889	134	109.2549	0.889	134	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC3)(CCO)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CC3)(CCO)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	108.5435	1.682	2	108.5435	2.830	2	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.2300	2.000	2	108.2300	3.999	2	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	108.1490	0.313	2	108.1490	0.098	2	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.8367	1.187	3	108.8367	1.408	3	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	109.3840	0.000	1	109.3840	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCH)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.5817	0.964	4	108.5817	0.929	4	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCCO)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCO)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.6630	0.000	1	109.6630	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCCO)(COO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCO)(COO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.9270	0.000	1	108.9270	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.9540	0.863	6	108.9540	0.745	6	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.1652	0.755	5	109.1652	0.570	5	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CCN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CCN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.5970	0.000	1	109.5970	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.1420	1.410	2	109.1420	1.988	2	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	108.8330	1.898	2	108.8330	3.602	2	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.9620	0.000	1	109.9620	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(COO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(COO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	111.2390	0.000	1	111.2390	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHN)(COO)(OC)(H)	O(CCCH)(COO)	H(CCCO)	C(CCHN)(COO)(OC)(H)	O(CCCH)(COO)	H(CCCO)	108.4730	1.153	3	108.4730	1.330	3	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.1827	0.275	4	108.1827	0.075	4	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	109.1827	0.351	4	109.1827	0.123	4	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.0848	0.442	6	109.0848	0.196	6	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CCN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CCN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.5870	0.000	1	108.5870	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CCO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CCO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.0270	0.545	4	109.0270	0.297	4	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(COO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(COO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.4780	1.153	2	108.4780	1.328	2	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[3]CH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[3]CH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.7140	0.000	1	109.7140	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[3]HH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[3]HH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.4560	0.247	4	109.4560	0.061	4	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]CH)(CCO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]CH)(CCO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.0630	0.000	1	109.0630	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HH)(CCC)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.8860	0.000	1	108.8860	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HH)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	110.6470	0.000	1	110.6470	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(CCO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HH)(CCO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.9570	0.000	1	109.9570	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]HH)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]HH)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.3200	0.000	1	109.3200	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]HO)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]HO)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.8907	0.177	3	109.8907	0.031	3	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(CCN)(OC)(H)	O(CCCH)(CHO)	H(CCCO)	C(CC[6a]HH)(CCN)(OC)(H)	O(CCCH)(CHO)	H(CCCO)	109.5190	0.113	2	109.5190	0.013	2	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]HH)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.8690	0.864	2	108.8690	0.747	2	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HN)(COO)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CC[6a]HN)(COO)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	111.0150	0.000	1	111.0150	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HN)(COO)(OC)(H)	O(CCCH)(COO)	H(CCCO)	C(CC[6a]HN)(COO)(OC)(H)	O(CCCH)(COO)	H(CCCO)	109.8440	0.000	1	109.8440	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HS)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]HS)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.3195	0.617	10	108.3195	0.381	10	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CCl3)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCl3)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.4390	0.000	1	109.4390	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CH3)(CCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.7675	0.435	2	107.7675	0.189	2	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)(CCH)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CH3)(CCH)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	110.4620	0.000	1	110.4620	0.000	1	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CH3)(CNO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	110.2341	0.479	8	110.2341	0.230	8	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)(COO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CH3)(COO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.8080	0.567	20	109.8080	0.322	20	109.2048	0.859	119	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C-4:N-3:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(NCH)(OC)(H)	O(CCHN)(CCH)	H(CCNO)	C(CC[6a]HH)(NCH)(OC)(H)	O(CCHN)(CCH)	H(CCNO)	109.3150	0.000	1	109.3150	0.000	1	109.3150	0.000	1	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[3]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]N[3]H)(COO)(OC)(H)	O(CC[3]CH)(COO)	H(CC[3]CO)	C(C[3]C[3]N[3]H)(COO)(OC)(H)	O(CC[3]CH)(COO)	H(CC[3]CO)	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[3]H)(CC[5,5,6]O)	H(CC[6a]C[3]O)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[3]H)(CC[5,5,6]O)	H(CC[6a]C[3]O)	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[4,5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[4,5]C[4,5,5]C[4]C[5])(CCH)(OC)(H)	O(CC[4,5]CH)(CC[6a]O)	H(CC[4,5]CO)	C(C[4,5]C[4,5,5]C[4]C[5])(CCH)(OC)(H)	O(CC[4,5]CH)(CC[6a]O)	H(CC[4,5]CO)	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[4]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]2H)(CCH)(OC)(H)	O(CC[4]CH)(CC[6a]O)	H(CC[4]CO)	C(C[4]C[4]2H)(CCH)(OC)(H)	O(CC[4]CH)(CC[6a]O)	H(CC[4]CO)	108.5610	0.000	1	108.5610	0.000	1	109.5373	0.743	3	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[4]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]2H)(CCO)(OC)(H)	O(CC[4]CH)(CCO)	H(CC[4]CO)	C(C[4]C[4]2H)(CCO)(OC)(H)	O(CC[4]CH)(CCO)	H(CC[4]CO)	110.0255	0.237	2	110.0255	0.056	2	109.5373	0.743	3	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	O(CC[5,6]CH)(CC[6a]O)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	O(CC[5,6]CH)(CC[6a]O)	H(CC[5,6]CO)	107.0830	0.000	1	107.0830	0.000	1	107.9457	0.581	3	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	O(CC[5,6]CH)(CCO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	O(CC[5,6]CH)(CCO)	H(CC[5,6]CO)	108.3770	0.212	2	108.3770	0.045	2	107.9457	0.581	3	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	106.6467	0.337	3	106.6467	0.113	3	108.3052	0.954	25	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Fe)(CCI)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CCI)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	109.2720	0.000	1	109.2720	0.000	1	108.3052	0.954	25	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	108.5559	0.694	11	108.5559	0.482	11	108.3052	0.954	25	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	108.5430	0.311	2	108.5430	0.097	2	108.3052	0.954	25	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	107.9670	0.037	2	107.9670	0.001	2	108.3052	0.954	25	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	109.1795	0.907	2	109.1795	0.823	2	108.3052	0.954	25	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CCO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2H)(CCO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	108.3185	0.114	2	108.3185	0.013	2	108.3052	0.954	25	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.7420	0.000	1	109.7420	0.000	1	108.3052	0.954	25	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	106.5440	0.000	1	106.5440	0.000	1	108.3052	0.954	25	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C[5]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	O(CC[5]2H)(CCO)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	O(CC[5]2H)(CCO)	H(CC[5]2O)	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]O)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]O)	H(CC[6a]C[5]O)	109.1220	0.000	1	109.1220	0.000	1	109.1764	0.113	7	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(COO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(COO)	H(CC[6a]C[5]O)	109.6820	0.000	1	109.6820	0.000	1	109.1764	0.113	7	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	109.2140	0.325	2	109.2140	0.106	2	109.1764	0.113	7	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]O)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]O)	H(CC[6a]C[5]O)	108.9480	0.000	1	108.9480	0.000	1	109.1764	0.113	7	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	108.7020	0.000	1	108.7020	0.000	1	109.1764	0.113	7	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCO)	H(CC[6a]C[5]O)	109.3530	0.000	1	109.3530	0.000	1	109.1764	0.113	7	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	O(CC[6,6]C[6a]H)(CC[6a]O)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	O(CC[6,6]C[6a]H)(CC[6a]O)	H(CC[6,6]C[6a]O)	109.2100	0.000	1	109.2100	0.000	1	109.6465	0.381	2	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6a]-3:O-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])(OC)(H)	O(CC[6,6]C[6a]H)(CC[6a]O)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	O(CC[6,6]C[6a]H)(CC[6a]O)	H(CC[6,6]C[6a]O)	110.0830	0.000	1	110.0830	0.000	1	109.6465	0.381	2	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	107.4865	0.565	2	107.4865	0.319	2	108.5178	1.683	5	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(CNO)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[6]2C)(CNO)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	108.8360	0.000	1	108.8360	0.000	1	108.5178	1.683	5	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(CCH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[6]2H)(CCH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	110.5440	0.000	1	110.5440	0.000	1	108.5178	1.683	5	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(COO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]2H)(COO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.2360	0.000	1	108.2360	0.000	1	108.5178	1.683	5	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[5a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	O(CC[5a]C[6]H)(CCO)	H(CC[5a]C[6]O)	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	O(CC[5a]C[6]H)(CCO)	H(CC[5a]C[6]O)	107.7225	0.392	2	107.7225	0.154	2	107.7225	0.154	2	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	O(CC[6]2H)(CCO)	H(CC[6]2O)	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	O(CC[6]2H)(CCO)	H(CC[6]2O)	110.0605	0.063	2	110.0605	0.004	2	109.4113	1.266	3	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	O(CC[6]2H)(CC[6a]O)	H(CC[6]2O)	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	O(CC[6]2H)(CC[6a]O)	H(CC[6]2O)	108.1130	0.000	1	108.1130	0.000	1	109.4113	1.266	3	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[6]H)(CC[6a]O)	H(CC[6a]C[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[6]H)(CC[6a]O)	H(CC[6a]C[6]O)	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	Ga[6]-4:C[6a]-3:O-2:H-1:	C-4:B-3:	C-4:	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	O(CC[6a]Ga[6]H)(BC[6a]2)	H(CC[6a]Ga[6]O)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	O(CC[6a]Ga[6]H)(BC[6a]2)	H(CC[6a]Ga[6]O)	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:3:2:1:	4:3:	4:	Si-4:C-3:O-2:H-1:	C-4:C-3:	C-4:	C(SiC3)(CCH)(OC)(H)	O(CSiCH)(CNO)	H(CSiCO)	C(SiC3)(CCH)(OC)(H)	O(CSiCH)(CNO)	H(CSiCO)	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	109.0260	0.992	177	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	B-3:C-4:	C-4:	C(CH3)2(OB)(H)	O(BC[6a]C)(CCCH)	H(CCCO)	C(CH3)2(OB)(H)	O(BC[6a]C)(CCCH)	H(CCCO)	109.9560	0.000	1	109.9560	0.000	1	109.0320	1.708	2	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	B-3:C-4:	C-4:	C(CN[6]HH)(CH3)(OB)(H)	O(BC[6a]O)(CCCH)	H(CCCO)	C(CN[6]HH)(CH3)(OB)(H)	O(BC[6a]O)(CCCH)	H(CCCO)	108.1080	0.000	1	108.1080	0.000	1	109.0320	1.708	2	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CBrCH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	106.7330	0.030	2	106.7330	0.001	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CBrHH)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CBrHH)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.9150	0.000	1	109.9150	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CC3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCCH)(CC3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.2990	0.000	1	109.2990	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CCHH)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	108.6840	0.000	1	108.6840	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.2829	1.166	9	108.2829	1.360	9	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCCH)(CCHN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCCH)(CCHN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.8825	0.284	2	109.8825	0.080	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCCH)2(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	C(CCCH)2(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	109.2720	0.000	1	109.2720	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCCH)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCCH)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.8450	0.000	1	108.8450	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCFH)(CHHN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCFH)(CHHN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.3540	0.747	4	109.3540	0.558	4	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CC3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHH)(CC3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.9795	0.296	2	108.9795	0.088	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.5438	0.667	13	109.5438	0.444	13	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CC[3]O)(CCCH)	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CC[3]O)(CCCH)	H(CCCO)	109.4713	0.843	3	109.4713	0.711	3	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CC[4,4,6]O)(CCCH)	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CC[4,4,6]O)(CCCH)	H(CCCO)	109.5275	0.683	4	109.5275	0.467	4	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.2367	1.054	31	109.2367	1.111	31	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHH)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHH)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.4795	0.546	17	109.4795	0.298	17	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CC3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHO)(CC3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	106.7707	2.092	3	106.7707	4.375	3	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CH3)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	109.7150	0.000	1	109.7150	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.3890	0.301	2	109.3890	0.091	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CHHO)(OC)(H)	O(CC[3]O)(CCCH)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	O(CC[3]O)(CCCH)	H(CCCO)	108.4650	0.658	2	108.4650	0.432	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CHHO)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	O(CC[5,5,6]O)(CCCH)	H(CCCO)	110.2190	0.649	2	110.2190	0.421	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.6464	0.714	7	109.6464	0.509	7	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.9375	0.919	2	109.9375	0.844	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[3]CH)(CC[5]CH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[3]CH)(CC[5]CH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.6820	0.000	1	108.6820	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[3]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[3]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.2485	0.636	2	109.2485	0.404	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[3]HH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[3]HH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.2810	0.772	2	109.2810	0.596	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[5,5]HH)(CCCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[5,5]HH)(CCCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.0060	0.000	1	110.0060	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[5,5]HO)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[5,5]HO)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.4130	0.000	1	108.4130	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[5]CH)(CCCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[5]CH)(CCCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.1530	0.000	1	109.1530	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[5]CH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[5]CH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.0780	0.000	1	109.0780	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[5]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[5]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.3080	0.000	1	109.3080	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[5]HH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[5]HH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.7210	0.000	1	109.7210	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.3180	0.000	1	110.3180	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6]HH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6]HH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.8140	0.000	1	109.8140	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]CC)(CF3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]CC)(CF3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.0230	0.000	1	109.0230	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]CH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]CH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.1520	0.000	1	110.1520	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]CH)(CF3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]CH)(CF3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	107.8050	0.000	1	107.8050	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]C[6]H)(CCCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.8890	0.000	1	109.8890	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.7150	0.000	1	109.7150	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HH)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]HH)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.6910	0.000	1	110.6910	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HO)(CH3)(OC)(H)	O(CC[6a]C)(CCCH)	H(CCCO)	C(CC[6a]HO)(CH3)(OC)(H)	O(CC[6a]C)(CCCH)	H(CCCO)	106.5660	0.000	1	106.5660	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CC[6a]HO)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CC[6a]HO)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.1720	0.000	1	110.1720	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CClHH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CClHH)(CCHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.0540	0.000	1	109.0540	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CClHH)(CHHS)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CClHH)(CHHS)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	108.8720	0.000	1	108.8720	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CF3)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CF3)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.2897	0.471	3	109.2897	0.222	3	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CFHH)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CFHH)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.1715	0.419	2	109.1715	0.176	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[5,5]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[5,5]O)(CCCH)	H(CCCO)	107.8128	1.475	6	107.8128	2.176	6	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[5,6]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[5,6]O)(CCCH)	H(CCCO)	109.1300	0.191	2	109.1300	0.036	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	109.3314	1.426	32	109.3314	2.033	32	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[5a]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[5a]O)(CCCH)	H(CCCO)	109.4807	0.159	3	109.4807	0.025	3	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[6,6]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[6,6]O)(CCCH)	H(CCCO)	120.3750	0.000	1	120.3750	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[6]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[6]O)(CCCH)	H(CCCO)	109.6151	0.815	34	109.6151	0.664	34	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.5192	0.473	27	109.5192	0.224	27	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CN[5]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CN[5]O)(CCCH)	H(CCCO)	109.6650	0.831	26	109.6650	0.691	26	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CN[5a]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CN[5a]O)(CCCH)	H(CCCO)	108.8847	0.882	3	108.8847	0.778	3	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CH3)2(OC)(H)	O(CN[6]O)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CN[6]O)(CCCH)	H(CCCO)	109.6570	0.212	4	109.6570	0.045	4	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CHHN)(CHHO)(OC)(H)	O(CC[6a]C)(CCCH)	H(CCCO)	C(CHHN)(CHHO)(OC)(H)	O(CC[6a]C)(CCCH)	H(CCCO)	109.4350	0.000	1	109.4350	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CHHO)(CH3)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	C(CHHO)(CH3)(OC)(H)	O(CC[5]O)(CCCH)	H(CCCO)	109.6450	0.000	1	109.6450	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CHHO)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CHHO)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.7625	0.429	4	109.7625	0.184	4	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CHHS)(CC3)(OC)(H)	O(CC[6]O)(CCCH)	H(CCCO)	C(CHHS)(CC3)(OC)(H)	O(CC[6]O)(CCCH)	H(CCCO)	108.9488	0.336	5	108.9488	0.113	5	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CHHS)(CH3)(OC)(H)	O(CC[6]O)(CCCH)	H(CCCO)	C(CHHS)(CH3)(OC)(H)	O(CC[6]O)(CCCH)	H(CCCO)	108.3267	0.855	3	108.3267	0.730	3	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CHHS)2(OC)(H)	O(CC[5a]O)(CCCH)	H(CCCO)	C(CHHS)2(OC)(H)	O(CC[5a]O)(CCCH)	H(CCCO)	109.8840	0.000	1	109.8840	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CHHS)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CHHS)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.6930	0.000	1	109.6930	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CN[5a]HH)(CClHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CN[5a]HH)(CClHH)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.0750	0.860	2	110.0750	0.739	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CN[5a]HH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CN[5a]HH)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	110.1750	0.000	1	110.1750	0.000	1	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CN[6]HH)(CCHN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CN[6]HH)(CCHN)(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.4180	0.351	2	109.4180	0.123	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(CSeHH)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	C(CSeHH)2(OC)(H)	O(CC[6a]O)(CCCH)	H(CCCO)	109.3135	0.366	2	109.3135	0.134	2	109.3627	1.394	300	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C[3,6]-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	O(CC[5,5,6]O)(CC[3,6]CH)	H(CC[3,6]CO)	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	O(CC[5,5,6]O)(CC[3,6]CH)	H(CC[3,6]CO)	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C[3]-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(C[3]C[3]2H)(CCHH)(OC)(H)	O(CC[5,5,6]O)(CC[3]CH)	H(CC[3]CO)	C(C[3]C[3]2H)(CCHH)(OC)(H)	O(CC[5,5,6]O)(CC[3]CH)	H(CC[3]CO)	109.5947	0.261	3	109.5947	0.068	3	109.5947	0.068	3	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C-4:O-2:H-1:	C-3:C-4:	C-4:	C(C[6]C[6]2H)(CF3)(OC)(H)	O(CC[5,5,6]O)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]2H)(CF3)(OC)(H)	O(CC[5,5,6]O)(CC[6]CH)	H(CC[6]CO)	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	109.3620	1.370	307	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:2:	4:	C-4:C-4:O-2:H-1:	C-4:N-2:	C-4:	C(CCHH)2(ON)(H)	O(CCCH)(NC)	H(CCCO)	C(CCHH)2(ON)(H)	O(CCCH)(NC)	H(CCCO)	108.9530	0.000	1	108.9530	0.000	1	108.3035	1.102	4	108.3035	1.102	4	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:2:	4:	C-4:C-4:O-2:H-1:	C-4:N-2:	C-4:	C(CC[4]HH)(CH3)(ON)(H)	O(CCCH)(NC)	H(CCCO)	C(CC[4]HH)(CH3)(ON)(H)	O(CCCH)(NC)	H(CCCO)	107.0820	0.000	1	107.0820	0.000	1	108.3035	1.102	4	108.3035	1.102	4	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:2:	4:	C-4:C-4:O-2:H-1:	C-4:N-2:	C-4:	C(CH3)2(ON)(H)	O(CCCH)(NC)	H(CCCO)	C(CH3)2(ON)(H)	O(CCCH)(NC)	H(CCCO)	108.5895	1.108	2	108.5895	1.228	2	108.3035	1.102	4	108.3035	1.102	4	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:B-3:	C-4:	C(CF3)2(OB)(H)	O(CCCH)(BOO)	H(CCCO)	C(CF3)2(OB)(H)	O(CCCH)(BOO)	H(CCCO)	109.7558	1.628	4	109.7558	2.651	4	109.7558	2.651	4	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CBrCC)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CBrCC)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.1770	0.000	1	108.1770	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CBrCH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.7730	0.000	1	108.7730	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CBrHH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CBrHH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.6660	0.000	1	109.6660	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC3)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC3)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	105.6750	0.000	1	105.6750	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.9978	0.701	19	108.9978	0.492	19	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CCHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCH)(CCHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.2690	0.000	1	108.2690	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.4457	1.382	3	108.4457	1.911	3	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.0692	0.457	5	109.0692	0.209	5	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CHHN)(OC)(H)	O(CCCH)(CCC)	H(CCCO)	C(CCCH)(CHHN)(OC)(H)	O(CCCH)(CCC)	H(CCCO)	109.9275	0.145	2	109.9275	0.021	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCH)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.4950	0.000	1	107.4950	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCH)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCH)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.6800	0.402	17	108.6800	0.162	17	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCO)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.9885	0.949	6	108.9885	0.901	6	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.3055	0.808	2	108.3055	0.653	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCCO)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCCO)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.1650	0.000	1	109.1650	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCFF)(CCHO)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CCFF)(CCHO)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	109.6340	0.000	1	109.6340	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCFF)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCFF)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.5780	0.000	1	109.5780	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	106.9190	3.407	7	106.9190	11.609	7	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CCHI)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CCHI)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.1250	0.000	1	107.1250	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CCHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CCHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.0255	0.094	2	109.0255	0.009	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.2388	0.687	9	109.2388	0.471	9	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.5309	0.972	37	109.5309	0.944	37	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)(CHHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)(CHHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	110.5825	0.489	2	110.5825	0.239	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHH)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHH)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.1410	0.352	9	109.1410	0.124	9	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHN)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHN)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.6240	0.000	1	108.6240	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHN)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHN)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.4793	0.649	4	109.4793	0.421	4	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.8032	0.279	5	107.8032	0.078	5	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CC3)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	106.1180	0.000	1	106.1180	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CCHS)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CCHS)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.6540	0.000	1	108.6540	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.7709	0.813	7	109.7709	0.661	7	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CHHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CHHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.4850	0.000	1	109.4850	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.7758	2.147	17	109.7758	4.611	17	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CHO)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CHO)	H(CCCO)	109.5165	0.551	2	109.5165	0.303	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)2(OC)(H)	O(CCCH)(CCC)	H(CCCO)	C(CCHO)2(OC)(H)	O(CCCH)(CCC)	H(CCCO)	107.8580	0.000	1	107.8580	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.4512	1.510	23	109.4512	2.279	23	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[3]CH)(CHHO)(OC)(H)	O(CCCH)(CHH)	H(CCCO)	C(CC[3]CH)(CHHO)(OC)(H)	O(CCCH)(CHH)	H(CCCO)	109.9670	0.000	1	109.9670	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[3]HH)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[3]HH)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.6265	0.606	2	107.6265	0.367	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[3]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[3]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.1330	0.000	1	109.1330	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[4]CC)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[4]CC)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.6480	0.209	2	109.6480	0.044	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[4]CC)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[4]CC)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.1110	0.000	1	109.1110	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[4]CC)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[4]CC)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	106.4860	0.000	1	106.4860	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[4]HO)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[4]HO)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.4600	0.000	1	107.4600	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5,6]CH)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5,6]CH)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.7895	3.839	2	107.7895	14.737	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.0850	0.000	1	108.0850	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.9673	0.034	4	109.9673	0.001	4	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)(CHHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HH)(CHHN)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.0430	0.000	1	108.0430	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HH)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HH)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.8980	0.000	1	109.8980	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HO)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HO)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.7597	0.794	4	108.7597	0.631	4	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HO)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HO)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.2390	0.000	1	109.2390	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	110.3885	1.849	4	110.3885	3.417	4	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5]HO)(CH3)(OC)(H)	O(CCCH)(CHO)	H(CCCO)	C(CC[5]HO)(CH3)(OC)(H)	O(CCCH)(CHO)	H(CCCO)	109.1737	0.397	3	109.1737	0.157	3	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5a]HH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[5a]HH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.8840	0.000	1	109.8840	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]CH)(CCCH)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CC[6]CH)(CCCH)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	107.9520	0.000	1	107.9520	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]CH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]CH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.8390	0.000	1	108.8390	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]CN)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]CN)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.6280	0.000	1	107.6280	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]CO)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]CO)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.0270	0.000	1	109.0270	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]HH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]HH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.5600	0.000	1	109.5600	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.5293	1.084	3	109.5293	1.176	3	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]HO)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]HO)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.1860	0.000	1	109.1860	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6]HO)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6]HO)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.1467	0.841	7	109.1467	0.707	7	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]2H)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]2H)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	114.1960	0.000	1	114.1960	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]2H)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]2H)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.8487	2.171	3	108.8487	4.714	3	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]CH)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]CH)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.8770	0.000	1	107.8770	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]CH)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]CH)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.0070	0.000	1	109.0070	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]CH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]CH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	105.1620	0.000	1	105.1620	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]C[5]H)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]C[5]H)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	110.3260	0.000	1	110.3260	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]HH)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.2740	0.000	1	109.2740	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]HH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.8230	0.000	1	109.8230	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]HH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.6893	0.272	3	109.6893	0.074	3	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HN)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]HN)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.8260	0.000	1	108.8260	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HO)(CCFF)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]HO)(CCFF)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.9090	0.000	1	107.9090	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[6a]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CC[6a]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.4425	0.194	2	109.4425	0.038	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CClCH)2(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CClCH)2(OC)(H)	O(CCCH)(CNO)	H(CCCO)	108.8140	0.160	2	108.8140	0.026	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CClHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CClHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.3000	0.000	1	109.3000	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CF3)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CF3)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.5798	0.122	6	109.5798	0.015	6	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CF3)2(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CF3)2(OC)(H)	O(CCCH)(CNO)	H(CCCO)	114.2310	0.000	1	114.2310	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CCH)	H(CCCO)	108.0450	0.000	1	108.0450	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CCN)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CCN)	H(CCCO)	109.8159	0.585	8	109.8159	0.342	8	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.4648	1.286	87	109.4648	1.654	87	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CNN)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CNN)	H(CCCO)	109.7690	0.000	1	109.7690	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CNO)	H(CCCO)	109.2362	2.510	43	109.2362	6.302	43	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CNS)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CNS)	H(CCCO)	109.7645	0.167	6	109.7645	0.028	6	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(COS)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(COS)	H(CCCO)	109.7670	0.000	1	109.7670	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CPdO)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CPdO)	H(CCCO)	109.6020	0.000	1	109.6020	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CSS)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CSS)	H(CCCO)	109.6753	0.359	11	109.6753	0.129	11	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CHHN)(CH3)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	C(CHHN)(CH3)(OC)(H)	O(CCCH)(CNO)	H(CCCO)	109.7410	0.000	1	109.7410	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CHHN)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CHHN)(CHHO)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	108.9430	0.000	1	108.9430	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CHHS)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CHHS)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.4450	0.000	1	109.4450	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CHHS)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CHHS)2(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.5696	0.225	5	109.5696	0.051	5	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CN[5]CH)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CN[5]CH)(CCCH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.8765	0.037	2	109.8765	0.001	2	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CN[5a]HH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CN[5a]HH)(CH3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.8980	0.000	1	109.8980	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CN[5a]HO)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CN[5a]HO)(CC3)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	107.3730	0.000	1	107.3730	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(CSiHH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	C(CSiHH)(CCHH)(OC)(H)	O(CCCH)(CCO)	H(CCCO)	109.5920	0.000	1	109.5920	0.000	1	109.2556	2.180	439	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C-4:P-4:O-2:H-1:	C-4:C-3:	C-4:	C(CH3)(PO3)(OC)(H)	O(CCHP)(CCO)	H(CCOP)	C(CH3)(PO3)(OC)(H)	O(CCHP)(CCO)	H(CCOP)	109.1995	0.240	2	109.1995	0.057	2	109.1995	0.057	2	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3,5,6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	O(CC[3,5,6]CH)(CC[6a]O)	H(CC[3,5,6]CO)	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	O(CC[3,5,6]CH)(CC[6a]O)	H(CC[3,5,6]CO)	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3,5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	O(CC[3,5]CH)(CC[6a]O)	H(CC[3,5]CO)	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	O(CC[3,5]CH)(CC[6a]O)	H(CC[3,5]CO)	109.6120	0.000	1	109.6120	0.000	1	108.4905	2.516	2	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3,5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	O(CC[3,5]CH)(CCO)	H(CC[3,5]CO)	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	O(CC[3,5]CH)(CCO)	H(CC[3,5]CO)	107.3690	0.000	1	107.3690	0.000	1	108.4905	2.516	2	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	109.5500	0.000	1	109.5500	0.000	1	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	109.4380	0.147	2	109.4380	0.022	2	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)(CH3)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	C(C[3]C[3]2H)(CH3)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	110.0940	0.000	1	110.0940	0.000	1	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)(CH3)(OC)(H)	O(CC[3]CH)(CNO)	H(CC[3]CO)	C(C[3]C[3]2H)(CH3)(OC)(H)	O(CC[3]CH)(CNO)	H(CC[3]CO)	109.4145	0.463	2	109.4145	0.215	2	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	109.1670	0.000	1	109.1670	0.000	1	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	110.3060	0.000	1	110.3060	0.000	1	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	108.0570	0.000	1	108.0570	0.000	1	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	110.1230	0.000	1	110.1230	0.000	1	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	109.9795	0.155	2	109.9795	0.024	2	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	O(CC[3]CH)(CC[6a]O)	H(CC[3]CO)	110.0990	0.000	1	110.0990	0.000	1	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	O(CC[3]CH)(CCO)	H(CC[3]CO)	109.6860	0.000	1	109.6860	0.000	1	109.6247	0.346	14	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C[3]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)2(OC)(H)	O(CC[3]2H)(CC[6a]O)	H(CC[3]2O)	C(C[3]C[3]2H)2(OC)(H)	O(CC[3]2H)(CC[6a]O)	H(CC[3]2O)	107.1590	2.516	2	107.1590	6.330	2	107.1590	6.330	2	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	O(CC[3]C[5]H)(CCO)	H(CC[3]C[5]O)	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	O(CC[3]C[5]H)(CCO)	H(CC[3]C[5]O)	109.1560	0.000	1	109.1560	0.000	1	109.8323	0.380	3	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	O(CC[3]C[5]H)(CC[3]O)	H(CC[3]C[5]O)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	O(CC[3]C[5]H)(CC[3]O)	H(CC[3]C[5]O)	110.1705	0.272	2	110.1705	0.074	2	109.8323	0.380	3	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:C[6]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	O(CC[3]C[6]H)(CC[6a]O)	H(CC[3]C[6]O)	C(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	O(CC[3]C[6]H)(CC[6a]O)	H(CC[3]C[6]O)	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[3]-4:P-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	O(CC[3]HP)(CNO)	H(CC[3]OP)	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	O(CC[3]HP)(CNO)	H(CC[3]OP)	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[4,5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	O(CC[4,5]CH)(CCO)	H(CC[4,5]CO)	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	O(CC[4,5]CH)(CCO)	H(CC[4,5]CO)	109.1230	0.000	1	109.1230	0.000	1	109.2527	0.067	3	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[4,5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(CC[5,6]HH)(OC)(H)	O(CC[4,5]CH)(CCO)	H(CC[4,5]CO)	C(C[4,5]C[4,5]C[4]O[5])(CC[5,6]HH)(OC)(H)	O(CC[4,5]CH)(CCO)	H(CC[4,5]CO)	109.3175	0.329	2	109.3175	0.108	2	109.2527	0.067	3	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	O(CC[4]CH)(CCO)	H(CC[4]CO)	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	O(CC[4]CH)(CCO)	H(CC[4]CO)	109.5870	0.000	1	109.5870	0.000	1	109.4428	0.245	4	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	O(CC[4]CH)(CC[6a]O)	H(CC[4]CO)	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	O(CC[4]CH)(CC[6a]O)	H(CC[4]CO)	109.6950	0.407	2	109.6950	0.166	2	109.4428	0.245	4	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	O(CC[4]CH)(CCO)	H(CC[4]CO)	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	O(CC[4]CH)(CCO)	H(CC[4]CO)	108.7940	0.000	1	108.7940	0.000	1	109.4428	0.245	4	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	O(CC[5,5]CH)(CCO)	H(CC[5,5]CO)	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	O(CC[5,5]CH)(CCO)	H(CC[5,5]CO)	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	O(CC[5,6]CH)(CCO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	O(CC[5,6]CH)(CCO)	H(CC[5,6]CO)	109.4736	0.269	5	109.4736	0.072	5	109.4736	0.072	5	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	O(CC[5,6]C[5]H)(CCO)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	O(CC[5,6]C[5]H)(CCO)	H(CC[5,6]C[5]O)	109.5953	0.290	4	109.5953	0.084	4	109.5194	0.092	5	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	O(CC[5,6]C[5]H)(CC[6a]O)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	O(CC[5,6]C[5]H)(CC[6a]O)	H(CC[5,6]C[5]O)	109.2160	0.000	1	109.2160	0.000	1	109.5194	0.092	5	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	110.1520	0.470	2	110.1520	0.220	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	105.6190	0.000	1	105.6190	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.5595	0.556	2	109.5595	0.310	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	107.8670	0.000	1	107.8670	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	O(CC[5]CH)(CNO)	H(CC[5]CO)	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	O(CC[5]CH)(CNO)	H(CC[5]CO)	109.4980	0.000	1	109.4980	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.3591	0.707	7	109.3591	0.500	7	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	109.3295	0.235	2	109.3295	0.055	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Fe)(CH3)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CH3)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.5507	0.508	4	109.5507	0.258	4	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2Fe)(CH3)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CH3)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	107.4487	1.185	3	107.4487	1.405	3	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	108.7717	1.430	10	108.7717	2.046	10	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CCHO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	110.7170	1.481	2	110.7170	2.192	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	107.0815	0.829	2	107.0815	0.688	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.6520	0.000	1	109.6520	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	108.9950	0.116	2	108.9950	0.013	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(CHHO)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5]2H)(CHHO)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	112.9280	0.000	1	112.9280	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2O)(CCCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2O)(CCCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	108.1246	0.901	9	108.1246	0.813	9	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	108.7403	0.747	4	108.7403	0.558	4	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	108.0980	0.000	2	108.0980	0.000	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	O(CC[5]CH)(COO)	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	O(CC[5]CH)(COO)	H(CC[5]CO)	109.4715	0.515	2	109.4715	0.266	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	107.3320	0.332	2	107.3320	0.110	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	107.1160	0.000	1	107.1160	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	108.7283	0.958	3	108.7283	0.918	3	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.8383	0.423	3	109.8383	0.179	3	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	108.1110	0.000	1	108.1110	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.3751	0.443	15	109.3751	0.197	15	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.5967	0.296	3	109.5967	0.088	3	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	109.3160	1.050	3	109.3160	1.103	3	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.0305	0.756	2	109.0305	0.571	2	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	109.3480	0.000	1	109.3480	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	110.0103	2.407	7	110.0103	5.793	7	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CC[5]CH)(CC[6a]O)	H(CC[5]CO)	108.7120	0.000	1	108.7120	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CC[5]CH)(CHO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CC[5]CH)(CHO)	H(CC[5]CO)	109.9270	0.000	1	109.9270	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	O(CC[5]CH)(CCO)	H(CC[5]CO)	106.9510	0.000	1	106.9510	0.000	1	109.0222	1.707	102	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O(CC[5]2H)(CCO)	H(CC[5]2O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O(CC[5]2H)(CCO)	H(CC[5]2O)	108.2835	0.240	2	108.2835	0.057	2	108.2317	0.523	16	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O(CC[5]2H)(CC[6a]O)	H(CC[5]2O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O(CC[5]2H)(CC[6a]O)	H(CC[5]2O)	107.2210	0.256	3	107.2210	0.065	3	108.2317	0.523	16	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	O(CC[5]2H)(CCO)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	O(CC[5]2H)(CCO)	H(CC[5]2O)	108.2067	0.587	7	108.2067	0.344	7	108.2317	0.523	16	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	O(CC[5]2H)(CCO)	H(CC[5]2O)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	O(CC[5]2H)(CCO)	H(CC[5]2O)	109.0075	0.195	4	109.0075	0.038	4	108.2317	0.523	16	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C[6]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	O(CC[5]C[6]H)(CC[6a]O)	H(CC[5]C[6]O)	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	O(CC[5]C[6]H)(CC[6a]O)	H(CC[5]C[6]O)	108.7040	0.000	1	108.7040	0.000	1	108.9880	0.161	2	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[5]-4:C[6]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	O(CC[5]C[6]H)(CCO)	H(CC[5]C[6]O)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	O(CC[5]C[6]H)(CCO)	H(CC[5]C[6]O)	109.2720	0.000	1	109.2720	0.000	1	108.9880	0.161	2	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	O(CC[6,6]CH)(CC[6a]O)	H(CC[6,6]CO)	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	O(CC[6,6]CH)(CC[6a]O)	H(CC[6,6]CO)	106.4460	0.000	1	106.4460	0.000	1	106.4460	0.000	1	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	105.9370	0.000	1	105.9370	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	109.3860	0.008	2	109.3860	0.000	2	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.2896	1.960	5	108.2896	3.843	5	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	O(CC[6]CH)(CNO)	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	O(CC[6]CH)(CNO)	H(CC[6]CO)	109.7515	0.254	2	109.7515	0.064	2	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	107.5050	0.000	1	107.5050	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	108.5600	0.000	1	108.5600	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.5815	1.121	2	108.5815	1.256	2	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	107.8220	0.000	1	107.8220	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.4720	0.639	3	108.4720	0.408	3	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.7480	0.000	1	108.7480	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(CCHH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[6]2C)(CCHH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	107.6770	0.000	1	107.6770	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	107.3150	0.000	1	107.3150	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.0590	0.000	1	108.0590	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	107.4420	0.000	1	107.4420	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(CCCH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	108.4300	0.000	1	108.4300	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2O)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]2O)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.8300	0.000	1	108.8300	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2O)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[6]2O)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	108.7870	0.000	1	108.7870	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	109.5360	0.000	1	109.5360	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	109.3195	0.409	2	109.3195	0.168	2	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	110.1210	0.000	1	110.1210	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	109.2490	0.558	5	109.2490	0.311	5	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	110.2510	0.000	1	110.2510	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.8380	0.000	1	108.8380	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	109.2800	0.000	1	109.2800	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	O(CC[6]CH)(CC[6a]O)	H(CC[6]CO)	108.8360	0.000	1	108.8360	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	H(CC[6]CO)	108.2900	0.000	1	108.2900	0.000	1	108.6863	1.178	40	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[5]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	O(CC[5]C[6]H)(CCO)	H(CC[5]C[6]O)	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	O(CC[5]C[6]H)(CCO)	H(CC[5]C[6]O)	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	O(CC[6]2H)(CC[6a]O)	H(CC[6]2O)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	O(CC[6]2H)(CC[6a]O)	H(CC[6]2O)	110.3434	3.240	10	110.3434	10.501	10	109.9878	9.282	12	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	O(CC[6]2H)(CC[6a]O)	H(CC[6]2O)	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	O(CC[6]2H)(CC[6a]O)	H(CC[6]2O)	108.1860	0.000	1	108.1860	0.000	1	109.9878	9.282	12	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:C-3:	C-4:	C(C[6]C[6]2H)2(OC)(H)	O(CC[6]2H)(CCO)	H(CC[6]2O)	C(C[6]C[6]2H)2(OC)(H)	O(CC[6]2H)(CCO)	H(CC[6]2O)	108.2330	0.000	1	108.2330	0.000	1	109.9878	9.282	12	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	4:4:2:1:	4:3:	4:	P[5]-4:C-4:O-2:H-1:	C-4:C-3:	C-4:	C(P[5]N[5]2O)(CCHH)(OC)(H)	O(CP[5]CH)(CCO)	H(CP[5]CO)	C(P[5]N[5]2O)(CCHH)(OC)(H)	O(CP[5]CH)(CCO)	H(CP[5]CO)	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.1817	2.072	663	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	5:2:1:1:	4:3:	4:	C[3,4,4]-5:O-2:H-1:H-1:	C-4:C[6a]-3:	C-4:	C(C[3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H)(OC[6a])(H)2	O(CC[3,4,4]HH)(C[6a]C[6a]2)	H(CC[3,4,4]HO)	C(C[3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H)(OC[6a])(H)2	O(CC[3,4,4]HH)(C[6a]C[6a]2)	H(CC[3,4,4]HO)	104.6995	5.095	2	104.6995	25.956	2	104.6995	25.956	2	104.6995	25.956	2	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	6:2:1:1:	4:3:	4:	C[5x3,5x5,20x6]-6:O-2:H-1:H-1:	C-4:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC[6a])(H)2	O(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)	H(CC[5x3,5x5,20x6]HO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC[6a])(H)2	O(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)	H(CC[5x3,5x5,20x6]HO)	110.5900	1.700	2	110.5900	2.890	2	110.5900	2.890	2	110.5900	2.890	2	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP2	C	O	H	6:3:2:1:	4:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(OC)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(CC[5,5,6]O)	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(OC)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(CC[5,5,6]O)	H(CC[5x3,5x5,20x6]C[6a]O)	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.5208	1.145	115015	109.5208	1.145	115015
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	2:4:	4:	O-2:H-1:H-1:H-1:	I-2:C-4:	C-4:	C(OI)(H)3	O(IC[6a])(CH3)	H(CHHO)	C(OI)(H)3	O(IC[6a])(CH3)	H(CHHO)	109.4897	0.016	3	109.4897	0.000	3	109.4897	0.000	3	109.4897	0.000	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	I[5]-3:C-4:	C-4:	C(OI[5])(H)3	O(I[5]C[5,6a]O[5])(CH3)	H(CHHO)	C(OI[5])(H)3	O(I[5]C[5,6a]O[5])(CH3)	H(CHHO)	109.4418	0.154	10	109.4418	0.024	10	109.4418	0.024	10	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NC[5]C)(CH3)	H(CHHO)	C(ON)(H)3	O(NC[5]C)(CH3)	H(CHHO)	109.4517	0.040	6	109.4517	0.002	6	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NC[6]C)(CH3)	H(CHHO)	C(ON)(H)3	O(NC[6]C)(CH3)	H(CHHO)	109.4856	0.041	10	109.4856	0.002	10	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NC[6]H)(CH3)	H(CHHO)	C(ON)(H)3	O(NC[6]H)(CH3)	H(CHHO)	109.6976	0.510	9	109.6976	0.260	9	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NC[6a]C)(CH3)	H(CHHO)	C(ON)(H)3	O(NC[6a]C)(CH3)	H(CHHO)	109.4527	0.037	3	109.4527	0.001	3	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NCuC)(CH3)	H(CHHO)	C(ON)(H)3	O(NCuC)(CH3)	H(CHHO)	109.4763	0.025	7	109.4763	0.001	7	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NIrC)(CH3)	H(CHHO)	C(ON)(H)3	O(NIrC)(CH3)	H(CHHO)	105.4463	1.505	3	105.4463	2.265	3	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NNiC)(CH3)	H(CHHO)	C(ON)(H)3	O(NNiC)(CH3)	H(CHHO)	109.5283	0.044	3	109.5283	0.002	3	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NPdC)(CH3)	H(CHHO)	C(ON)(H)3	O(NPdC)(CH3)	H(CHHO)	109.4873	1.988	20	109.4873	3.952	20	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NRhC)(CH3)	H(CHHO)	C(ON)(H)3	O(NRhC)(CH3)	H(CHHO)	109.4807	0.040	6	109.4807	0.002	6	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N-3:C-4:	C-4:	C(ON)(H)3	O(NRuC)(CH3)	H(CHHO)	C(ON)(H)3	O(NRuC)(CH3)	H(CHHO)	109.4863	0.013	3	109.4863	0.000	3	109.3364	1.877	70	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[4]-3:C-4:	C-4:	C(ON[4])(H)3	O(N[4]C[4,5]C[4,6])(CH3)	H(CHHO)	C(ON[4])(H)3	O(N[4]C[4,5]C[4,6])(CH3)	H(CHHO)	109.4703	0.036	3	109.4703	0.001	3	109.4703	0.001	3	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5,6]-3:C-4:	C-4:	C(ON[5,6])(H)3	O(N[5,6]C[5,6]2)(CH3)	H(CHHO)	C(ON[5,6])(H)3	O(N[5,6]C[5,6]2)(CH3)	H(CHHO)	109.4737	0.017	3	109.4737	0.000	3	109.4737	0.000	3	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(H)3	O(N[5]B[5]C[5])(CH3)	H(CHHO)	C(ON[5])(H)3	O(N[5]B[5]C[5])(CH3)	H(CHHO)	109.4830	0.022	3	109.4830	0.000	3	109.4693	0.339	95	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(H)3	O(N[5]C[5,5,6]C[5,6a])(CH3)	H(CHHO)	C(ON[5])(H)3	O(N[5]C[5,5,6]C[5,6a])(CH3)	H(CHHO)	109.3193	3.981	3	109.3193	15.847	3	109.4693	0.339	95	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(H)3	O(N[5]C[5,6]C[5])(CH3)	H(CHHO)	C(ON[5])(H)3	O(N[5]C[5,6]C[5])(CH3)	H(CHHO)	109.4679	0.031	10	109.4679	0.001	10	109.4693	0.339	95	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(H)3	O(N[5]C[5,6a]C[5])(CH3)	H(CHHO)	C(ON[5])(H)3	O(N[5]C[5,6a]C[5])(CH3)	H(CHHO)	109.4846	0.040	11	109.4846	0.002	11	109.4693	0.339	95	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(H)3	O(N[5]C[5]2)(CH3)	H(CHHO)	C(ON[5])(H)3	O(N[5]C[5]2)(CH3)	H(CHHO)	109.4730	0.031	68	109.4730	0.001	68	109.4693	0.339	95	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5a]-3:C-4:	C-4:	C(ON[5a])(H)3	O(N[5a]C[5a,5a]C[5a,6a])(CH3)	H(CHHO)	C(ON[5a])(H)3	O(N[5a]C[5a,5a]C[5a,6a])(CH3)	H(CHHO)	109.4650	1.772	3	109.4650	3.139	3	109.4715	0.147	44	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5a]-3:C-4:	C-4:	C(ON[5a])(H)3	O(N[5a]C[5a,6a]C[5a])(CH3)	H(CHHO)	C(ON[5a])(H)3	O(N[5a]C[5a,6a]C[5a])(CH3)	H(CHHO)	109.4942	0.026	6	109.4942	0.001	6	109.4715	0.147	44	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5a]-3:C-4:	C-4:	C(ON[5a])(H)3	O(N[5a]C[5a]2)(CH3)	H(CHHO)	C(ON[5a])(H)3	O(N[5a]C[5a]2)(CH3)	H(CHHO)	109.4958	0.035	5	109.4958	0.001	5	109.4715	0.147	44	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[5a]-3:C-4:	C-4:	C(ON[5a])(H)3	O(N[5a]C[5a]N[5a])(CH3)	H(CHHO)	C(ON[5a])(H)3	O(N[5a]C[5a]N[5a])(CH3)	H(CHHO)	109.4636	0.034	30	109.4636	0.001	30	109.4715	0.147	44	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[6]-3:C-4:	C-4:	C(ON[6])(H)3	O(N[6]C[5,6,6]C[6])(CH3)	H(CHHO)	C(ON[6])(H)3	O(N[6]C[5,6,6]C[6])(CH3)	H(CHHO)	109.4627	0.024	3	109.4627	0.001	3	109.4118	1.595	42	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[6]-3:C-4:	C-4:	C(ON[6])(H)3	O(N[6]C[5,6]C[6])(CH3)	H(CHHO)	C(ON[6])(H)3	O(N[6]C[5,6]C[6])(CH3)	H(CHHO)	109.1556	3.041	8	109.1556	9.248	8	109.4118	1.595	42	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[6]-3:C-4:	C-4:	C(ON[6])(H)3	O(N[6]C[6,6]C[6])(CH3)	H(CHHO)	C(ON[6])(H)3	O(N[6]C[6,6]C[6])(CH3)	H(CHHO)	109.4842	0.024	5	109.4842	0.001	5	109.4118	1.595	42	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[6]-3:C-4:	C-4:	C(ON[6])(H)3	O(N[6]C[6]2)(CH3)	H(CHHO)	C(ON[6])(H)3	O(N[6]C[6]2)(CH3)	H(CHHO)	109.4708	0.029	26	109.4708	0.001	26	109.4118	1.595	42	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[6a]-3:C-4:	C-4:	C(ON[6a])(H)3	O(N[6a]C[6,6a]C[6a])(CH3)	H(CHHO)	C(ON[6a])(H)3	O(N[6a]C[6,6a]C[6a])(CH3)	H(CHHO)	109.4853	0.037	3	109.4853	0.001	3	109.4697	0.001	32	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[6a]-3:C-4:	C-4:	C(ON[6a])(H)3	O(N[6a]C[6a,6a]C[6a])(CH3)	H(CHHO)	C(ON[6a])(H)3	O(N[6a]C[6a,6a]C[6a])(CH3)	H(CHHO)	109.4774	0.034	13	109.4774	0.001	13	109.4697	0.001	32	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	N[6a]-3:C-4:	C-4:	C(ON[6a])(H)3	O(N[6a]C[6a]2)(CH3)	H(CHHO)	C(ON[6a])(H)3	O(N[6a]C[6a]2)(CH3)	H(CHHO)	109.4604	0.025	16	109.4604	0.001	16	109.4697	0.001	32	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	P-3:C-4:	C-4:	C(OP)(H)3	O(PC[5]O)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[5]O)(CH3)	H(CHHO)	109.4523	0.021	4	109.4523	0.000	4	109.4757	0.001	10	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	P-3:C-4:	C-4:	C(OP)(H)3	O(PC[5x3,5x5,20x6]C[5])(CH3)	H(CHHO)	C(OP)(H)3	O(PC[5x3,5x5,20x6]C[5])(CH3)	H(CHHO)	109.5007	0.049	3	109.5007	0.002	3	109.4757	0.001	10	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	3:4:	4:	O-2:H-1:H-1:H-1:	P-3:C-4:	C-4:	C(OP)(H)3	O(PC[6]2)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6]2)(CH3)	H(CHHO)	109.4820	0.031	3	109.4820	0.001	3	109.4757	0.001	10	109.4311	0.761	309	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:1:	4:	O-2:C-1:H-1:H-1:	C-4:H-1:	C-4:	C(OH)(C)(H)2	O(CCHH)(H)	H(CCHO)	C(OH)(C)(H)2	O(CCHH)(H)	H(CCHO)	108.3665	0.013	2	108.3665	0.000	2	108.3665	0.000	2	109.5254	1.203	10768	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:1:	4:	O-2:H-1:H-1:H-1:	C-4:H-1:	C-4:	C(OH)(H)3	O(CH3)(H)	H(CHHO)	C(OH)(H)3	O(CH3)(H)	H(CHHO)	109.5257	1.097	10766	109.5257	1.203	10766	109.5257	1.203	10766	109.5254	1.203	10768	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:2:	4:	O-2:H-1:H-1:H-1:	C-4:C-2:	C-4:	C(OC)(H)3	O(CH3)(CO)	H(CHHO)	C(OC)(H)3	O(CH3)(CO)	H(CHHO)	109.6310	0.223	3	109.6310	0.050	3	109.6310	0.050	3	109.5031	0.012	18	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:2:	4:	O-2:H-1:H-1:H-1:	C-4:O-2:	C-4:	C(OO)(H)3	O(CH3)(OC)	H(CHHO)	C(OO)(H)3	O(CH3)(OC)	H(CHHO)	109.4717	0.062	12	109.4717	0.004	12	109.4775	0.003	15	109.5031	0.012	18	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:2:	4:	O-2:H-1:H-1:H-1:	C-4:O-2:	C-4:	C(OO)(H)3	O(CH3)(OPt)	H(CHHO)	C(OO)(H)3	O(CH3)(OPt)	H(CHHO)	109.5007	0.017	3	109.5007	0.000	3	109.4775	0.003	15	109.5031	0.012	18	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:N-3:	C-4:	C(ON)(H)3	O(CH3)(NCC)	H(CHHO)	C(ON)(H)3	O(CH3)(NCC)	H(CHHO)	109.4734	0.228	99	109.4734	0.052	99	109.5000	0.115	125	109.4995	0.111	129	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:N-3:	C-4:	C(ON)(H)3	O(CH3)(NCH)	H(CHHO)	C(ON)(H)3	O(CH3)(NCH)	H(CHHO)	109.4731	0.035	15	109.4731	0.001	15	109.5000	0.115	125	109.4995	0.111	129	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:N-3:	C-4:	C(ON)(H)3	O(CH3)(NCN)	H(CHHO)	C(ON)(H)3	O(CH3)(NCN)	H(CHHO)	110.6447	1.590	3	110.6447	2.528	3	109.5000	0.115	125	109.4995	0.111	129	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:N-3:	C-4:	C(ON)(H)3	O(CH3)(NCO)	H(CHHO)	C(ON)(H)3	O(CH3)(NCO)	H(CHHO)	109.4758	0.018	5	109.4758	0.000	5	109.5000	0.115	125	109.4995	0.111	129	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:N-3:	C-4:	C(ON)(H)3	O(CH3)(NCS)	H(CHHO)	C(ON)(H)3	O(CH3)(NCS)	H(CHHO)	109.4053	0.041	3	109.4053	0.002	3	109.5000	0.115	125	109.4995	0.111	129	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:3:	4:	O-2:H-1:H-1:H-1:	C-4:S-3:	C-4:	C(OS)(H)3	O(CH3)(SOO)	H(CHHO)	C(OS)(H)3	O(CH3)(SOO)	H(CHHO)	109.4840	0.033	4	109.4840	0.001	4	109.4840	0.001	4	109.4995	0.111	129	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:F-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(F)(H)2	O(CN[5a]HH)(CFHH)	H(CFHO)	C(OC)(F)(H)2	O(CN[5a]HH)(CFHH)	H(CFHO)	109.6205	0.018	2	109.6205	0.000	2	109.6205	0.000	2	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B-4:C-4:	C-4:	C(OB)(H)3	O(BC[6]2O)(CH3)	H(CHHO)	C(OB)(H)3	O(BC[6]2O)(CH3)	H(CHHO)	109.4650	0.021	2	109.4650	0.000	2	109.4571	0.001	17	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B-4:C-4:	C-4:	C(OB)(H)3	O(BC[6a]2O)(CH3)	H(CHHO)	C(OB)(H)3	O(BC[6a]2O)(CH3)	H(CHHO)	109.4700	0.000	1	109.4700	0.000	1	109.4571	0.001	17	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B-4:C-4:	C-4:	C(OB)(H)3	O(BC[6a]FF)(CH3)	H(CHHO)	C(OB)(H)3	O(BC[6a]FF)(CH3)	H(CHHO)	109.4467	0.016	3	109.4467	0.000	3	109.4571	0.001	17	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B-4:C-4:	C-4:	C(OB)(H)3	O(BFFO)(CH3)	H(CHHO)	C(OB)(H)3	O(BFFO)(CH3)	H(CHHO)	109.4562	0.031	5	109.4562	0.001	5	109.4571	0.001	17	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B-4:C-4:	C-4:	C(OB)(H)3	O(BO3)(CH3)	H(CHHO)	C(OB)(H)3	O(BO3)(CH3)	H(CHHO)	109.4583	0.028	6	109.4583	0.001	6	109.4571	0.001	17	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[3x6]-4:C-4:	C-4:	C(OB[3x6])(H)3	O(B[3x6]N[5a,6,6]3)(CH3)	H(CHHO)	C(OB[3x6])(H)3	O(B[3x6]N[5a,6,6]3)(CH3)	H(CHHO)	109.4704	0.030	18	109.4704	0.001	18	109.4704	0.001	18	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[5]-4:C-4:	C-4:	C(OB[5])(H)3	O(B[5]C[5,6a]O[5]2)(CH3)	H(CHHO)	C(OB[5])(H)3	O(B[5]C[5,6a]O[5]2)(CH3)	H(CHHO)	110.0452	0.771	12	110.0452	0.595	12	109.9771	3.071	24	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[5]-4:C-4:	C-4:	C(OB[5])(H)3	O(B[5]C[5]N[5]O)(CH3)	H(CHHO)	C(OB[5])(H)3	O(B[5]C[5]N[5]O)(CH3)	H(CHHO)	109.9091	2.412	12	109.9091	5.816	12	109.9771	3.071	24	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[5a]-4:C-4:	C-4:	C(OB[5a])(H)3	O(B[5a]C[6a]O[5a]2)(CH3)	H(CHHO)	C(OB[5a])(H)3	O(B[5a]C[6a]O[5a]2)(CH3)	H(CHHO)	109.4602	0.054	11	109.4602	0.003	11	109.4602	0.003	11	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[6,6]-4:C-4:	C-4:	C(OB[6,6])(H)3	O(B[6,6]N[6,6]N[6]2)(CH3)	H(CHHO)	C(OB[6,6])(H)3	O(B[6,6]N[6,6]N[6]2)(CH3)	H(CHHO)	109.4734	0.028	5	109.4734	0.001	5	109.4693	0.001	9	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[6,6]-4:C-4:	C-4:	C(OB[6,6])(H)3	O(B[6,6]N[6,6]O[6]2)(CH3)	H(CHHO)	C(OB[6,6])(H)3	O(B[6,6]N[6,6]O[6]2)(CH3)	H(CHHO)	109.4642	0.028	4	109.4642	0.001	4	109.4693	0.001	9	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[6,6a]-4:C-4:	C-4:	C(OB[6,6a])(H)3	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	H(CHHO)	C(OB[6,6a])(H)3	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	H(CHHO)	109.4557	0.050	3	109.4557	0.003	3	109.4557	0.003	3	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(H)3	O(B[6]C[6]2Ru)(CH3)	H(CHHO)	C(OB[6])(H)3	O(B[6]C[6]2Ru)(CH3)	H(CHHO)	109.4967	0.052	3	109.4967	0.003	3	109.4736	0.011	53	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(H)3	O(B[6]C[6a]N[6]O[6])(CH3)	H(CHHO)	C(OB[6])(H)3	O(B[6]C[6a]N[6]O[6])(CH3)	H(CHHO)	109.4440	0.007	2	109.4440	0.000	2	109.4736	0.011	53	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(H)3	O(B[6]N[5,6]2C[6a])(CH3)	H(CHHO)	C(OB[6])(H)3	O(B[6]N[5,6]2C[6a])(CH3)	H(CHHO)	109.4753	0.052	15	109.4753	0.003	15	109.4736	0.011	53	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(H)3	O(B[6]N[5a,6]2O)(CH3)	H(CHHO)	C(OB[6])(H)3	O(B[6]N[5a,6]2O)(CH3)	H(CHHO)	109.4810	0.040	21	109.4810	0.002	21	109.4736	0.011	53	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(H)3	O(B[6]N[6]O[6]O)(CH3)	H(CHHO)	C(OB[6])(H)3	O(B[6]N[6]O[6]O)(CH3)	H(CHHO)	109.4577	0.212	12	109.4577	0.045	12	109.4736	0.011	53	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC3)(CH3)	H(CHHO)	C(OC)(H)3	O(CC3)(CH3)	H(CHHO)	109.4846	0.561	75	109.4846	0.315	75	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCCH)(CH3)	H(CHHO)	C(OC)(H)3	O(CCCH)(CH3)	H(CHHO)	109.4284	0.851	222	109.4284	0.724	222	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCCO)(CH3)	H(CHHO)	C(OC)(H)3	O(CCCO)(CH3)	H(CHHO)	109.5209	1.640	11	109.5209	2.691	11	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCHH)(CH3)	H(CHHO)	C(OC)(H)3	O(CCHH)(CH3)	H(CHHO)	109.4277	0.709	1486	109.4277	0.502	1486	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCHN)(CH3)	H(CHHO)	C(OC)(H)3	O(CCHN)(CH3)	H(CHHO)	109.7814	2.105	7	109.7814	4.431	7	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCHO)(CH3)	H(CHHO)	C(OC)(H)3	O(CCHO)(CH3)	H(CHHO)	109.4485	0.702	150	109.4485	0.493	150	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCHS)(CH3)	H(CHHO)	C(OC)(H)3	O(CCHS)(CH3)	H(CHHO)	109.4667	0.032	12	109.4667	0.001	12	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCOW)(CH3)	H(CHHO)	C(OC)(H)3	O(CCOW)(CH3)	H(CHHO)	109.4483	0.059	6	109.4483	0.003	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[3,5]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,5]HH)(CH3)	H(CHHO)	109.4597	0.017	3	109.4597	0.000	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[3,6]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,6]CH)(CH3)	H(CHHO)	109.4890	0.018	2	109.4890	0.000	2	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[3,6]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3,6]HH)(CH3)	H(CHHO)	109.4570	0.035	2	109.4570	0.001	2	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[3]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3]CH)(CH3)	H(CHHO)	108.9247	4.518	9	108.9247	20.411	9	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[3]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3]HH)(CH3)	H(CHHO)	109.4645	0.077	2	109.4645	0.006	2	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[3]HO)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3]HO)(CH3)	H(CHHO)	109.4616	0.243	15	109.4616	0.059	15	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[3x6]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x6]CH)(CH3)	H(CHHO)	109.4736	0.030	21	109.4736	0.001	21	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[3x6]HP)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[3x6]HP)(CH3)	H(CHHO)	109.4505	0.026	2	109.4505	0.001	2	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[4]HO)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[4]HO)(CH3)	H(CHHO)	109.4747	0.009	3	109.4747	0.000	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5,5,6]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,5,6]HH)(CH3)	H(CHHO)	109.4709	0.029	26	109.4709	0.001	26	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5,6]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,6]CH)(CH3)	H(CHHO)	109.4430	0.035	2	109.4430	0.001	2	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5,6]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5,6]HH)(CH3)	H(CHHO)	109.4547	0.161	14	109.4547	0.026	14	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5]2C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]2C)(CH3)	H(CHHO)	109.4769	0.044	9	109.4769	0.002	9	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5]2C[6])(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]2C[6])(CH3)	H(CHHO)	109.4785	0.018	2	109.4785	0.000	2	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5]3)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]3)(CH3)	H(CHHO)	109.4420	0.057	3	109.4420	0.003	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5]CC)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]CC)(CH3)	H(CHHO)	109.4527	0.064	3	109.4527	0.004	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]CH)(CH3)	H(CHHO)	109.5631	0.832	47	109.5631	0.692	47	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5]C[6]H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]C[6]H)(CH3)	H(CHHO)	109.4818	0.020	6	109.4818	0.000	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]HH)(CH3)	H(CHHO)	109.4599	1.364	187	109.4599	1.862	187	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5]HO)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5]HO)(CH3)	H(CHHO)	109.4637	0.033	22	109.4637	0.001	22	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5a]2C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]2C)(CH3)	H(CHHO)	110.1717	0.588	6	110.1717	0.345	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5a]2C[6a])(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]2C[6a])(CH3)	H(CHHO)	109.4730	0.034	6	109.4730	0.001	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5a]2H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]2H)(CH3)	H(CHHO)	109.4770	0.041	3	109.4770	0.002	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5a]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]CH)(CH3)	H(CHHO)	109.4900	0.022	3	109.4900	0.000	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5a]C[5]2)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]C[5]2)(CH3)	H(CHHO)	109.3847	0.233	3	109.3847	0.054	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5a]C[5]H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]C[5]H)(CH3)	H(CHHO)	109.4813	0.035	7	109.4813	0.001	7	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5a]C[6a]H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]C[6a]H)(CH3)	H(CHHO)	109.4598	0.020	5	109.4598	0.000	5	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5a]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]HH)(CH3)	H(CHHO)	108.8763	1.818	19	108.8763	3.306	19	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5a]HN)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5a]HN)(CH3)	H(CHHO)	109.4487	0.026	3	109.4487	0.001	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[5x3,5x5,20x6]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[5x3,5x5,20x6]HH)(CH3)	H(CHHO)	109.4695	0.029	6	109.4695	0.001	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6,6]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6,6]CH)(CH3)	H(CHHO)	109.4577	0.030	3	109.4577	0.001	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6,6]C[6a]H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6,6]C[6a]H)(CH3)	H(CHHO)	109.4502	0.033	5	109.4502	0.001	5	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6,6]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6,6]HH)(CH3)	H(CHHO)	109.4826	0.035	46	109.4826	0.001	46	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]2C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]2C)(CH3)	H(CHHO)	109.4773	0.053	3	109.4773	0.003	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]2Mn)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]2Mn)(CH3)	H(CHHO)	109.4750	0.025	3	109.4750	0.001	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]2N)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]2N)(CH3)	H(CHHO)	109.5057	0.023	3	109.5057	0.001	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]2O)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]2O)(CH3)	H(CHHO)	109.4693	0.044	38	109.4693	0.002	38	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]3)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]3)(CH3)	H(CHHO)	109.3343	1.451	42	109.3343	2.104	42	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]CC)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]CC)(CH3)	H(CHHO)	110.2123	1.784	12	110.2123	3.184	12	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]CH)(CH3)	H(CHHO)	109.5873	1.045	69	109.5873	1.092	69	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]CO)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]CO)(CH3)	H(CHHO)	109.4782	0.030	32	109.4782	0.001	32	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]HH)(CH3)	H(CHHO)	109.5261	0.787	167	109.5261	0.619	167	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]HN)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]HN)(CH3)	H(CHHO)	109.4542	0.063	14	109.4542	0.004	14	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]HO)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]HO)(CH3)	H(CHHO)	109.6041	1.474	62	109.6041	2.173	62	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6]MnC)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6]MnC)(CH3)	H(CHHO)	109.5095	0.058	6	109.5095	0.003	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]2C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]2C)(CH3)	H(CHHO)	109.4620	2.327	8	109.4620	5.416	8	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]2C[3])(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]2C[3])(CH3)	H(CHHO)	109.4840	0.055	3	109.4840	0.003	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]2C[5])(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]2C[5])(CH3)	H(CHHO)	109.5214	1.543	18	109.5214	2.382	18	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]2C[6])(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]2C[6])(CH3)	H(CHHO)	109.4890	0.019	3	109.4890	0.000	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]2H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]2H)(CH3)	H(CHHO)	109.4766	0.032	11	109.4766	0.001	11	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]3)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]3)(CH3)	H(CHHO)	109.4682	0.026	12	109.4682	0.001	12	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]CC)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]CC)(CH3)	H(CHHO)	110.0822	2.431	120	110.0822	5.908	120	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]CH)(CH3)	H(CHHO)	109.7354	2.484	220	109.7354	6.170	220	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]CO)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]CO)(CH3)	H(CHHO)	110.2167	1.717	6	110.2167	2.949	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C[5]2)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C[5]2)(CH3)	H(CHHO)	109.4686	0.033	40	109.4686	0.001	40	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C[5]C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C[5]C)(CH3)	H(CHHO)	109.4440	0.036	3	109.4440	0.001	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C[5]H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C[5]H)(CH3)	H(CHHO)	109.3806	1.188	32	109.3806	1.411	32	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C[6]2)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C[6]2)(CH3)	H(CHHO)	109.4127	3.909	3	109.4127	15.277	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C[6]C)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C[6]C)(CH3)	H(CHHO)	109.4147	0.023	3	109.4147	0.001	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C[6]H)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C[6]H)(CH3)	H(CHHO)	111.4669	1.600	8	111.4669	2.561	8	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C[6]Mn)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C[6]Mn)(CH3)	H(CHHO)	109.4572	0.070	6	109.4572	0.005	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]C[6]Re)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]C[6]Re)(CH3)	H(CHHO)	109.4903	0.052	3	109.4903	0.003	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]HH)(CH3)	H(CHHO)	109.5060	0.971	137	109.5060	0.942	137	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]HN)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]HN)(CH3)	H(CHHO)	109.4767	0.021	3	109.4767	0.000	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]HO)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]HO)(CH3)	H(CHHO)	109.3642	1.173	61	109.3642	1.376	61	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]IrN)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]IrN)(CH3)	H(CHHO)	109.4815	0.094	6	109.4815	0.009	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CC[6a]SiC)(CH3)	H(CHHO)	C(OC)(H)3	O(CC[6a]SiC)(CH3)	H(CHHO)	109.4707	0.060	3	109.4707	0.004	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCoCH)(CH3)	H(CHHO)	C(OC)(H)3	O(CCoCH)(CH3)	H(CHHO)	109.4884	0.027	5	109.4884	0.001	5	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCoHH)(CH3)	H(CHHO)	C(OC)(H)3	O(CCoHH)(CH3)	H(CHHO)	109.4773	0.025	3	109.4773	0.001	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CCoMo2)(CH3)	H(CHHO)	C(OC)(H)3	O(CCoMo2)(CH3)	H(CHHO)	109.5144	0.040	5	109.5144	0.002	5	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CH3)2	H(CHHO)	C(OC)(H)3	O(CH3)2	H(CHHO)	109.4660	0.065	12	109.4660	0.004	12	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CHHN)(CH3)	H(CHHO)	C(OC)(H)3	O(CHHN)(CH3)	H(CHHO)	109.4717	0.038	14	109.4717	0.001	14	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CHHO)(CH3)	H(CHHO)	C(OC)(H)3	O(CHHO)(CH3)	H(CHHO)	109.4864	0.771	535	109.4864	0.595	535	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CHHP)(CH3)	H(CHHO)	C(OC)(H)3	O(CHHP)(CH3)	H(CHHO)	109.4650	0.045	6	109.4650	0.002	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CHHS)(CH3)	H(CHHO)	C(OC)(H)3	O(CHHS)(CH3)	H(CHHO)	109.4963	0.043	3	109.4963	0.002	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CMnHH)(CH3)	H(CHHO)	C(OC)(H)3	O(CMnHH)(CH3)	H(CHHO)	109.4363	0.078	3	109.4363	0.006	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CMo2C)(CH3)	H(CHHO)	C(OC)(H)3	O(CMo2C)(CH3)	H(CHHO)	109.5053	0.073	9	109.5053	0.005	9	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CN[5]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[5]CH)(CH3)	H(CHHO)	109.4433	0.041	3	109.4433	0.002	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CN[5]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[5]HH)(CH3)	H(CHHO)	109.6094	0.671	43	109.6094	0.450	43	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CN[5a]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[5a]HH)(CH3)	H(CHHO)	109.4733	1.070	16	109.4733	1.145	16	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CN[6,6]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[6,6]HH)(CH3)	H(CHHO)	110.2793	1.600	3	110.2793	2.560	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CN[6]CH)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[6]CH)(CH3)	H(CHHO)	109.4730	0.007	3	109.4730	0.000	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CN[6]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[6]HH)(CH3)	H(CHHO)	109.4790	0.032	7	109.4790	0.001	7	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CN[6a]HH)(CH3)	H(CHHO)	C(OC)(H)3	O(CN[6a]HH)(CH3)	H(CHHO)	109.3522	0.792	5	109.3522	0.628	5	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CPdCC)(CH3)	H(CHHO)	C(OC)(H)3	O(CPdCC)(CH3)	H(CHHO)	109.4463	0.069	3	109.4463	0.005	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CRuBC)(CH3)	H(CHHO)	C(OC)(H)3	O(CRuBC)(CH3)	H(CHHO)	109.0505	3.210	6	109.0505	10.304	6	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CRuCO)(CH3)	H(CHHO)	C(OC)(H)3	O(CRuCO)(CH3)	H(CHHO)	110.7613	3.611	3	110.7613	13.040	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CSiHH)(CH3)	H(CHHO)	C(OC)(H)3	O(CSiHH)(CH3)	H(CHHO)	109.4660	0.018	2	109.4660	0.000	2	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CTaCO)(CH3)	H(CHHO)	C(OC)(H)3	O(CTaCO)(CH3)	H(CHHO)	109.4883	0.020	3	109.4883	0.000	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CThCO)(CH3)	H(CHHO)	C(OC)(H)3	O(CThCO)(CH3)	H(CHHO)	109.4423	0.110	3	109.4423	0.012	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(H)3	O(CZrCO)(CH3)	H(CHHO)	C(OC)(H)3	O(CZrCO)(CH3)	H(CHHO)	109.4877	0.025	3	109.4877	0.001	3	109.4966	1.183	4322	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:P-4:	C-4:	C(OP)(H)3	O(CH3)(PO3)	H(CHHO)	C(OP)(H)3	O(CH3)(PO3)	H(CHHO)	109.4387	0.533	59	109.4387	0.284	59	109.4387	0.284	59	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C-4:S-4:	C-4:	C(OS)(H)3	O(CH3)(SO3)	H(CHHO)	C(OS)(H)3	O(CH3)(SO3)	H(CHHO)	108.7900	6.248	41	108.7900	39.043	41	108.7900	39.043	41	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3,5,5]-4:C-4:	C-4:	C(OC[3,5,5])(H)3	O(C[3,5,5]C[3,5,5,6]C[3,5]C[5,5])(CH3)	H(CHHO)	C(OC[3,5,5])(H)3	O(C[3,5,5]C[3,5,5,6]C[3,5]C[5,5])(CH3)	H(CHHO)	109.5138	0.029	4	109.5138	0.001	4	109.5138	0.001	4	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3,5,6]-4:C-4:	C-4:	C(OC[3,5,6])(H)3	O(C[3,5,6]C[3,5]C[3,6]C[5,6])(CH3)	H(CHHO)	C(OC[3,5,6])(H)3	O(C[3,5,6]C[3,5]C[3,6]C[5,6])(CH3)	H(CHHO)	111.2013	1.858	3	111.2013	3.453	3	111.2013	3.453	3	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3,6]-4:C-4:	C-4:	C(OC[3,6])(H)3	O(C[3,6]C[3,6]C[3]C[6])(CH3)	H(CHHO)	C(OC[3,6])(H)3	O(C[3,6]C[3,6]C[3]C[6])(CH3)	H(CHHO)	109.7214	2.088	9	109.7214	4.358	9	109.5737	1.600	23	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3,6]-4:C-4:	C-4:	C(OC[3,6])(H)3	O(C[3,6]C[3,6]C[6]O[3])(CH3)	H(CHHO)	C(OC[3,6])(H)3	O(C[3,6]C[3,6]C[6]O[3])(CH3)	H(CHHO)	109.4788	0.025	14	109.4788	0.001	14	109.5737	1.600	23	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[3,5,6]2H)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[3,5,6]2H)(CH3)	H(CHHO)	109.4557	0.034	3	109.4557	0.001	3	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[3,5,6]C[6a]C[3])(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[3,5,6]C[6a]C[3])(CH3)	H(CHHO)	109.4690	0.040	2	109.4690	0.002	2	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[3,5]C[3]O)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[3,5]C[3]O)(CH3)	H(CHHO)	109.4884	0.032	8	109.4884	0.001	8	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[3,6,6]C[3]O)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[3,6,6]C[3]O)(CH3)	H(CHHO)	109.8767	2.936	6	109.8767	8.619	6	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[3,6,6]S[3]O)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[3,6,6]S[3]O)(CH3)	H(CHHO)	109.4692	0.025	6	109.4692	0.001	6	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[3,6]2O)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[3,6]2O)(CH3)	H(CHHO)	109.4790	0.025	5	109.4790	0.001	5	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[3]2C)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[3]2C)(CH3)	H(CHHO)	109.4430	0.153	3	109.4430	0.023	3	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[3]2H)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[3]2H)(CH3)	H(CHHO)	109.4732	0.063	6	109.4732	0.004	6	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[3]2N)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[3]2N)(CH3)	H(CHHO)	109.4560	0.028	3	109.4560	0.001	3	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[5a]C[3]2)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[5a]C[3]2)(CH3)	H(CHHO)	109.4790	0.051	2	109.4790	0.003	2	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]C[6a]C[3]2)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]C[6a]C[3]2)(CH3)	H(CHHO)	109.5090	0.053	3	109.5090	0.003	3	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(H)3	O(C[3]O[3]2C)(CH3)	H(CHHO)	C(OC[3])(H)3	O(C[3]O[3]2C)(CH3)	H(CHHO)	109.5647	0.029	3	109.5647	0.001	3	109.5279	0.899	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3x5]-4:C-4:	C-4:	C(OC[3x5])(H)3	O(C[3x5]C[4x5]C[5,5]2)(CH3)	H(CHHO)	C(OC[3x5])(H)3	O(C[3x5]C[4x5]C[5,5]2)(CH3)	H(CHHO)	109.7563	2.915	3	109.7563	8.498	3	109.7563	8.498	3	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C-4:	C-4:	C(OC[3x6])(H)3	O(C[3x6]C[4x6]O[6,6]C[6])(CH3)	H(CHHO)	C(OC[3x6])(H)3	O(C[3x6]C[4x6]O[6,6]C[6])(CH3)	H(CHHO)	109.4317	0.009	3	109.4317	0.000	3	109.4587	0.577	130	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C-4:	C-4:	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	H(CHHO)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	H(CHHO)	109.5258	1.046	52	109.5258	1.093	52	109.4587	0.577	130	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C-4:	C-4:	C(OC[3x6])(H)3	O(C[3x6]C[5x6]C[6,6]O[6])(CH3)	H(CHHO)	C(OC[3x6])(H)3	O(C[3x6]C[5x6]C[6,6]O[6])(CH3)	H(CHHO)	107.9827	2.434	3	107.9827	5.922	3	109.4587	0.577	130	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C-4:	C-4:	C(OC[3x6])(H)3	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	H(CHHO)	C(OC[3x6])(H)3	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	H(CHHO)	109.4752	0.026	6	109.4752	0.001	6	109.4587	0.577	130	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C-4:	C-4:	C(OC[3x6])(H)3	O(C[3x6]C[6,6]2N[6,6])(CH3)	H(CHHO)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]2N[6,6])(CH3)	H(CHHO)	109.4734	0.043	7	109.4734	0.002	7	109.4587	0.577	130	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C-4:	C-4:	C(OC[3x6])(H)3	O(C[3x6]C[6,6]2O[6,6])(CH3)	H(CHHO)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]2O[6,6])(CH3)	H(CHHO)	109.4678	0.041	26	109.4678	0.002	26	109.4587	0.577	130	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C-4:	C-4:	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	H(CHHO)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	H(CHHO)	109.4762	0.031	33	109.4762	0.001	33	109.4587	0.577	130	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4,4,6]-4:C-4:	C-4:	C(OC[4,4,6])(H)3	O(C[4,4,6]C[4,4,6]2C[4,6])(CH3)	H(CHHO)	C(OC[4,4,6])(H)3	O(C[4,4,6]C[4,4,6]2C[4,6])(CH3)	H(CHHO)	109.4748	0.025	8	109.4748	0.001	8	109.4748	0.001	8	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4,4]-4:C-4:	C-4:	C(OC[4,4])(H)3	O(C[4,4]C[4,4]C[4,5]C[4])(CH3)	H(CHHO)	C(OC[4,4])(H)3	O(C[4,4]C[4,4]C[4,5]C[4])(CH3)	H(CHHO)	109.4443	0.029	3	109.4443	0.001	3	109.4443	0.001	3	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4,5,6]-4:C-4:	C-4:	C(OC[4,5,6])(H)3	O(C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(CH3)	H(CHHO)	C(OC[4,5,6])(H)3	O(C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(CH3)	H(CHHO)	109.4670	0.023	2	109.4670	0.001	2	109.4670	0.001	2	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4,5]-4:C-4:	C-4:	C(OC[4,5])(H)3	O(C[4,5]C[4,4]C[4,5]C[5])(CH3)	H(CHHO)	C(OC[4,5])(H)3	O(C[4,5]C[4,4]C[4,5]C[5])(CH3)	H(CHHO)	109.5010	0.065	3	109.5010	0.004	3	109.6643	4.727	22	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4,5]-4:C-4:	C-4:	C(OC[4,5])(H)3	O(C[4,5]C[4,5,5]2O)(CH3)	H(CHHO)	C(OC[4,5])(H)3	O(C[4,5]C[4,5,5]2O)(CH3)	H(CHHO)	109.4597	0.023	4	109.4597	0.001	4	109.6643	4.727	22	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4,5]-4:C-4:	C-4:	C(OC[4,5])(H)3	O(C[4,5]C[4,5]C[4,6]C[5])(CH3)	H(CHHO)	C(OC[4,5])(H)3	O(C[4,5]C[4,5]C[4,6]C[5])(CH3)	H(CHHO)	110.3264	4.909	5	110.3264	24.103	5	109.6643	4.727	22	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4,5]-4:C-4:	C-4:	C(OC[4,5])(H)3	O(C[4,5]C[4,5]O[4]O[5])(CH3)	H(CHHO)	C(OC[4,5])(H)3	O(C[4,5]C[4,5]O[4]O[5])(CH3)	H(CHHO)	109.4640	0.028	10	109.4640	0.001	10	109.6643	4.727	22	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4,6]-4:C-4:	C-4:	C(OC[4,6])(H)3	O(C[4,6]C[4,6]C[4]C[6])(CH3)	H(CHHO)	C(OC[4,6])(H)3	O(C[4,6]C[4,6]C[4]C[6])(CH3)	H(CHHO)	109.4673	0.027	3	109.4673	0.001	3	109.4676	0.001	5	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4,6]-4:C-4:	C-4:	C(OC[4,6])(H)3	O(C[4,6]C[6,6a]C[4,6]C[4])(CH3)	H(CHHO)	C(OC[4,6])(H)3	O(C[4,6]C[6,6a]C[4,6]C[4])(CH3)	H(CHHO)	109.4680	0.040	2	109.4680	0.002	2	109.4676	0.001	5	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(H)3	O(C[4]C[4,5]C[4]H)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]C[4,5]C[4]H)(CH3)	H(CHHO)	109.5473	0.043	3	109.5473	0.002	3	109.5110	0.390	63	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(H)3	O(C[4]C[4,6]C[4]C)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]C[4,6]C[4]C)(CH3)	H(CHHO)	109.4876	0.034	10	109.4876	0.001	10	109.5110	0.390	63	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(H)3	O(C[4]C[4,6]C[4]H)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]C[4,6]C[4]H)(CH3)	H(CHHO)	109.4660	0.014	2	109.4660	0.000	2	109.5110	0.390	63	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(H)3	O(C[4]C[4,6a]C[4]O)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]C[4,6a]C[4]O)(CH3)	H(CHHO)	109.4712	0.036	13	109.4712	0.001	13	109.5110	0.390	63	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(H)3	O(C[4]C[4]2C)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]C[4]2C)(CH3)	H(CHHO)	109.4280	0.033	2	109.4280	0.001	2	109.5110	0.390	63	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(H)3	O(C[4]C[4]2H)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]C[4]2H)(CH3)	H(CHHO)	109.4531	0.027	9	109.4531	0.001	9	109.5110	0.390	63	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(H)3	O(C[4]C[4]2O)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]C[4]2O)(CH3)	H(CHHO)	109.5929	1.153	19	109.5929	1.329	19	109.5110	0.390	63	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(H)3	O(C[4]C[4]N[4]H)(CH3)	H(CHHO)	C(OC[4])(H)3	O(C[4]C[4]N[4]H)(CH3)	H(CHHO)	109.4842	0.064	5	109.4842	0.004	5	109.5110	0.390	63	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,3x6]-4:C-4:	C-4:	C(OC[5,3x6])(H)3	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	H(CHHO)	C(OC[5,3x6])(H)3	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	H(CHHO)	109.4768	0.040	9	109.4768	0.002	9	109.4768	0.002	9	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5,6,6]-4:C-4:	C-4:	C(OC[5,5,6,6])(H)3	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	H(CHHO)	C(OC[5,5,6,6])(H)3	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	H(CHHO)	109.4790	0.010	2	109.4790	0.000	2	109.4790	0.000	2	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5,6]-4:C-4:	C-4:	C(OC[5,5,6])(H)3	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	H(CHHO)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	H(CHHO)	109.8293	2.060	6	109.8293	4.243	6	109.4397	1.890	51	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5,6]-4:C-4:	C-4:	C(OC[5,5,6])(H)3	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	H(CHHO)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	H(CHHO)	108.4372	2.490	6	108.4372	6.198	6	109.4397	1.890	51	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5,6]-4:C-4:	C-4:	C(OC[5,5,6])(H)3	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	H(CHHO)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	H(CHHO)	109.4363	0.026	3	109.4363	0.001	3	109.4397	1.890	51	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5,6]-4:C-4:	C-4:	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	H(CHHO)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	H(CHHO)	109.4816	0.024	13	109.4816	0.001	13	109.4397	1.890	51	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5,6]-4:C-4:	C-4:	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	H(CHHO)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	H(CHHO)	109.4860	0.017	2	109.4860	0.000	2	109.4397	1.890	51	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5,6]-4:C-4:	C-4:	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	H(CHHO)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	H(CHHO)	109.6091	1.431	18	109.6091	2.048	18	109.4397	1.890	51	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5,6]-4:C-4:	C-4:	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	H(CHHO)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	H(CHHO)	109.4397	0.032	3	109.4397	0.001	3	109.4397	1.890	51	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[3,5,5]C[5,6a]C[5])(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[3,5,5]C[5,6a]C[5])(CH3)	H(CHHO)	109.5125	0.012	2	109.5125	0.000	2	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[3x5,6]C[5,5,6]O)(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[3x5,6]C[5,5,6]O)(CH3)	H(CHHO)	109.4897	0.016	3	109.4897	0.000	3	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2H)(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2H)(CH3)	H(CHHO)	109.4670	0.024	7	109.4670	0.001	7	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	H(CHHO)	109.4312	0.842	117	109.4312	0.709	117	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	H(CHHO)	109.4140	1.452	3	109.4140	2.107	3	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,5]2C[5])(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,5]2C[5])(CH3)	H(CHHO)	108.8560	5.082	3	108.8560	25.831	3	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,5]C[5]O[5])(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,5]C[5]O[5])(CH3)	H(CHHO)	109.4666	0.024	11	109.4666	0.001	11	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,5]N[5,5]C[5])(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,5]N[5,5]C[5])(CH3)	H(CHHO)	109.4890	0.033	5	109.4890	0.001	5	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,6]N[5,5]C[5])(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,6]N[5,5]C[5])(CH3)	H(CHHO)	109.4712	0.032	4	109.4712	0.001	4	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,6a]2C[3x5])(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,6a]2C[3x5])(CH3)	H(CHHO)	109.4560	0.011	3	109.4560	0.000	3	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,6a]C[3x5]O[5])(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,6a]C[3x5]O[5])(CH3)	H(CHHO)	109.4720	0.011	2	109.4720	0.000	2	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]C[5,6a]C[5,5]O[5])(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]C[5,6a]C[5,5]O[5])(CH3)	H(CHHO)	109.4800	0.035	5	109.4800	0.001	5	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(H)3	O(C[5,5]O[3x5]C[5]2)(CH3)	H(CHHO)	C(OC[5,5])(H)3	O(C[5,5]O[3x5]C[5]2)(CH3)	H(CHHO)	109.1887	3.048	3	109.1887	9.288	3	109.4272	0.946	168	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	H(CHHO)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	H(CHHO)	109.4714	0.034	8	109.4714	0.001	8	109.4708	0.001	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	H(CHHO)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	H(CHHO)	109.4717	0.022	11	109.4717	0.000	11	109.4708	0.001	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	H(CHHO)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	H(CHHO)	109.4753	0.044	3	109.4753	0.002	3	109.4708	0.001	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6,6]3)(CH3)	H(CHHO)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6,6]3)(CH3)	H(CHHO)	109.4398	0.034	4	109.4398	0.001	4	109.4708	0.001	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	H(CHHO)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	H(CHHO)	109.4727	0.036	21	109.4727	0.001	21	109.4708	0.001	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	H(CHHO)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	H(CHHO)	109.4893	0.027	3	109.4893	0.001	3	109.4708	0.001	50	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	H(CHHO)	109.4690	0.009	3	109.4690	0.000	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	H(CHHO)	109.4520	0.047	5	109.4520	0.002	5	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	H(CHHO)	109.4807	0.035	3	109.4807	0.001	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]2H)(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]2H)(CH3)	H(CHHO)	109.4860	0.017	2	109.4860	0.000	2	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]2O)(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]2O)(CH3)	H(CHHO)	109.4818	0.050	9	109.4818	0.002	9	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6]C[5a])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6]C[5a])(CH3)	H(CHHO)	109.4990	0.038	4	109.4990	0.001	4	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	H(CHHO)	109.4683	0.794	26	109.4683	0.631	26	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	H(CHHO)	109.4820	0.020	9	109.4820	0.000	9	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	H(CHHO)	109.4767	0.020	3	109.4767	0.000	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	H(CHHO)	109.4660	0.198	3	109.4660	0.039	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	H(CHHO)	109.4701	0.041	15	109.4701	0.002	15	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	H(CHHO)	110.5083	2.001	12	110.5083	4.003	12	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6a]C[6,6]C[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6a]C[6,6]C[5])(CH3)	H(CHHO)	109.4660	0.029	3	109.4660	0.001	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2C)(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2C)(CH3)	H(CHHO)	109.4540	0.051	6	109.4540	0.003	6	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2H)(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2H)(CH3)	H(CHHO)	109.4798	0.023	5	109.4798	0.001	5	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2O)(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2O)(CH3)	H(CHHO)	109.4603	0.036	3	109.4603	0.001	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]C[6])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]C[6])(CH3)	H(CHHO)	109.8090	1.796	21	109.8090	3.226	21	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]O[6])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]O[6])(CH3)	H(CHHO)	109.3833	0.979	20	109.3833	0.959	20	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	H(CHHO)	109.4740	0.011	3	109.4740	0.000	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6]O[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6]O[5])(CH3)	H(CHHO)	109.4701	0.048	18	109.4701	0.002	18	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]C[5,6]2)(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]C[5,6]2)(CH3)	H(CHHO)	109.4995	0.028	4	109.4995	0.001	4	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]C[5,6]C[6])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]C[5,6]C[6])(CH3)	H(CHHO)	109.4820	0.026	3	109.4820	0.001	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]C[6,6]N[5,6])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]C[6,6]N[5,6])(CH3)	H(CHHO)	109.4585	0.005	2	109.4585	0.000	2	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]N[5,6]C[6])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]N[5,6]C[6])(CH3)	H(CHHO)	109.4930	0.039	3	109.4930	0.002	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	H(CHHO)	106.5467	6.356	3	106.5467	40.399	3	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	H(CHHO)	109.4725	0.008	2	109.4725	0.000	2	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	H(CHHO)	109.4625	0.081	2	109.4625	0.007	2	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]O[5,6]C[6]N[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]O[5,6]C[6]N[5])(CH3)	H(CHHO)	109.4752	0.025	5	109.4752	0.001	5	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(H)3	O(C[5,6]O[5,6]C[6]O[5])(CH3)	H(CHHO)	C(OC[5,6])(H)3	O(C[5,6]O[5,6]C[6]O[5])(CH3)	H(CHHO)	109.4735	0.031	13	109.4735	0.001	13	109.5154	1.265	210	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[3,5,5]C[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[3,5,5]C[5]H)(CH3)	H(CHHO)	109.4940	0.008	2	109.4940	0.000	2	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[3,5,6]C[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[3,5,6]C[5]H)(CH3)	H(CHHO)	109.4800	0.008	3	109.4800	0.000	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[4,5]C[5]O)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[4,5]C[5]O)(CH3)	H(CHHO)	109.4450	0.027	4	109.4450	0.001	4	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[4,5]O[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[4,5]O[5]H)(CH3)	H(CHHO)	111.0127	4.011	3	111.0127	16.090	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5,6,6]C[5]O)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5,6,6]C[5]O)(CH3)	H(CHHO)	109.4592	0.039	5	109.4592	0.002	5	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]C[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]C)(CH3)	H(CHHO)	109.4607	0.046	3	109.4607	0.002	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	H(CHHO)	109.4772	0.253	56	109.4772	0.064	56	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]C[5]O)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]O)(CH3)	H(CHHO)	109.4661	0.044	10	109.4661	0.002	10	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]C[6a]N[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]C[6a]N[5])(CH3)	H(CHHO)	109.4620	0.024	3	109.4620	0.001	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]C[6a]O[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]C[6a]O[5])(CH3)	H(CHHO)	109.4925	0.015	2	109.4925	0.000	2	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]N[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]N[5]H)(CH3)	H(CHHO)	109.4635	0.023	8	109.4635	0.001	8	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]O[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]C)(CH3)	H(CHHO)	109.3771	1.177	25	109.3771	1.385	25	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]O[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]H)(CH3)	H(CHHO)	109.3205	1.240	39	109.3205	1.538	39	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,5]O[5]O)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]O)(CH3)	H(CHHO)	109.4593	0.027	3	109.4593	0.001	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6,6]C[5,6]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6,6]C[5,6]H)(CH3)	H(CHHO)	109.4598	0.027	15	109.4598	0.001	15	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6,6]C[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6,6]C[5]H)(CH3)	H(CHHO)	109.4673	0.032	4	109.4673	0.001	4	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6,6]N[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6,6]N[5]H)(CH3)	H(CHHO)	109.4830	0.020	2	109.4830	0.000	2	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6]2H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6]2H)(CH3)	H(CHHO)	109.4677	0.042	3	109.4677	0.002	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6]C[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]C)(CH3)	H(CHHO)	109.4604	0.025	12	109.4604	0.001	12	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	H(CHHO)	109.4648	0.028	28	109.4648	0.001	28	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6]C[5]O)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]O)(CH3)	H(CHHO)	109.4700	0.049	10	109.4700	0.002	10	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6]C[5]Rh)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]Rh)(CH3)	H(CHHO)	109.4476	0.024	5	109.4476	0.001	5	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6]O[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]C)(CH3)	H(CHHO)	109.4690	0.020	2	109.4690	0.000	2	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	H(CHHO)	109.8161	1.002	35	109.8161	1.004	35	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]2C[6a])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]2C[6a])(CH3)	H(CHHO)	109.5040	0.047	2	109.5040	0.002	2	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]2H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]2H)(CH3)	H(CHHO)	109.4890	0.061	2	109.4890	0.004	2	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]2O)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]2O)(CH3)	H(CHHO)	109.4970	0.046	8	109.4970	0.002	8	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]C)(CH3)	H(CHHO)	109.4600	0.025	2	109.4600	0.001	2	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]H)(CH3)	H(CHHO)	109.4596	0.050	22	109.4596	0.003	22	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]O)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]O)(CH3)	H(CHHO)	109.4744	0.024	5	109.4744	0.001	5	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]C[6a]C[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]C[6a]C[5])(CH3)	H(CHHO)	109.4717	0.005	3	109.4717	0.000	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]N[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]N[5]H)(CH3)	H(CHHO)	109.4703	0.030	9	109.4703	0.001	9	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]O[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]O[5]C)(CH3)	H(CHHO)	109.4840	0.019	3	109.4840	0.000	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5,6a]O[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5,6a]O[5]H)(CH3)	H(CHHO)	109.4724	0.030	7	109.4724	0.001	7	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	H(CHHO)	109.6959	1.953	40	109.6959	3.816	40	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]2C[6])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]2C[6])(CH3)	H(CHHO)	109.4630	0.029	3	109.4630	0.001	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]2Fe)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]2Fe)(CH3)	H(CHHO)	109.4714	0.033	22	109.4714	0.001	22	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	H(CHHO)	109.4547	0.363	181	109.4547	0.132	181	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]2O)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]2O)(CH3)	H(CHHO)	109.4811	0.027	13	109.4811	0.001	13	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]2O[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]2O[5])(CH3)	H(CHHO)	109.4797	0.011	3	109.4797	0.000	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]2Ru)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]2Ru)(CH3)	H(CHHO)	109.4656	0.051	20	109.4656	0.003	20	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]N[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]N[5]C)(CH3)	H(CHHO)	109.4702	0.044	8	109.4702	0.002	8	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]N[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]N[5]H)(CH3)	H(CHHO)	109.4748	0.041	22	109.4748	0.002	22	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	H(CHHO)	109.3575	1.153	63	109.3575	1.330	63	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	H(CHHO)	109.5031	1.147	122	109.5031	1.315	122	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]O[5]O)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]O[5]O)(CH3)	H(CHHO)	109.4610	0.034	11	109.4610	0.001	11	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5]S[5]H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5]S[5]H)(CH3)	H(CHHO)	109.4668	0.166	11	109.4668	0.028	11	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[5a]C[5]N[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[5a]C[5]N[5])(CH3)	H(CHHO)	109.4960	0.091	5	109.4960	0.008	5	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[6a]C[5]2)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[6a]C[5]2)(CH3)	H(CHHO)	109.4621	0.033	11	109.4621	0.001	11	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]C[6a]N[5]S[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]C[6a]N[5]S[5])(CH3)	H(CHHO)	109.4780	0.041	3	109.4780	0.002	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]N[5,5]C[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]N[5,5]C[5]C)(CH3)	H(CHHO)	109.4514	0.083	5	109.4514	0.007	5	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]N[5,6]C[6a]C[5])(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]N[5,6]C[6a]C[5])(CH3)	H(CHHO)	109.4815	0.012	2	109.4815	0.000	2	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]N[5,6a]N[5]C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]N[5,6a]N[5]C)(CH3)	H(CHHO)	109.4845	0.006	2	109.4845	0.000	2	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]N[5]2C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]N[5]2C)(CH3)	H(CHHO)	109.4635	0.022	4	109.4635	0.000	4	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]N[5]2H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]N[5]2H)(CH3)	H(CHHO)	109.4813	0.060	3	109.4813	0.004	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]O[5]2C)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]O[5]2C)(CH3)	H(CHHO)	109.9700	1.188	9	109.9700	1.412	9	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(H)3	O(C[5]O[5]2H)(CH3)	H(CHHO)	C(OC[5])(H)3	O(C[5]O[5]2H)(CH3)	H(CHHO)	110.6743	1.683	3	110.6743	2.831	3	109.4918	0.676	911	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	H(CHHO)	109.4806	0.029	5	109.4806	0.001	5	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[3x6]2H)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]2H)(CH3)	H(CHHO)	109.4788	0.031	14	109.4788	0.001	14	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[4x6]H)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[4x6]H)(CH3)	H(CHHO)	109.4787	1.127	3	109.4787	1.269	3	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	H(CHHO)	109.4709	0.037	92	109.4709	0.001	92	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[3x6]O[6,6]H)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]O[6,6]H)(CH3)	H(CHHO)	109.4745	0.047	6	109.4745	0.002	6	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	H(CHHO)	109.4755	0.022	4	109.4755	0.000	4	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[4x6]O[6,6]H)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[4x6]O[6,6]H)(CH3)	H(CHHO)	109.4820	0.025	6	109.4820	0.001	6	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	H(CHHO)	109.4603	0.032	10	109.4603	0.001	10	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	H(CHHO)	109.4638	0.015	4	109.4638	0.000	4	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	H(CHHO)	109.4573	0.037	3	109.4573	0.001	3	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[5,6,6]C[6]O[6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[5,6,6]C[6]O[6])(CH3)	H(CHHO)	109.4833	0.013	3	109.4833	0.000	3	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	H(CHHO)	109.4788	0.035	16	109.4788	0.001	16	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6]O[6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6]O[6])(CH3)	H(CHHO)	109.4688	0.028	5	109.4688	0.001	5	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2C)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2C)(CH3)	H(CHHO)	109.4613	0.055	3	109.4613	0.003	3	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2C[6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2C[6])(CH3)	H(CHHO)	109.4709	0.025	8	109.4709	0.001	8	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	H(CHHO)	109.4776	0.037	53	109.4776	0.001	53	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]2)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]2)(CH3)	H(CHHO)	109.4667	0.030	19	109.4667	0.001	19	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]N[6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]N[6])(CH3)	H(CHHO)	110.3657	2.038	3	110.3657	4.152	3	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]O[6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]O[6])(CH3)	H(CHHO)	109.4778	0.029	19	109.4778	0.001	19	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6x6]O)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6x6]O)(CH3)	H(CHHO)	110.3143	0.996	12	110.3143	0.991	12	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]2C[6,6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]2C[6,6])(CH3)	H(CHHO)	109.4513	0.009	3	109.4513	0.000	3	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	H(CHHO)	109.9272	1.258	14	109.9272	1.582	14	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]C[6,6]O[6])(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]C[6,6]O[6])(CH3)	H(CHHO)	109.4858	0.034	5	109.4858	0.001	5	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(H)3	O(C[6,6]O[6,6]C[6]2)(CH3)	H(CHHO)	C(OC[6,6])(H)3	O(C[6,6]O[6,6]C[6]2)(CH3)	H(CHHO)	109.4540	0.006	2	109.4540	0.000	2	109.5344	0.178	312	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3,5,6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3,5,6]C[6]H)(CH3)	H(CHHO)	108.9006	2.034	14	108.9006	4.135	14	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3,6,6]C[6,6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3,6,6]C[6,6]H)(CH3)	H(CHHO)	109.4773	0.042	3	109.4773	0.002	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3,6,6]O[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3,6,6]O[6]H)(CH3)	H(CHHO)	109.4790	0.037	3	109.4790	0.001	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3,6]C[5,6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3,6]C[5,6]H)(CH3)	H(CHHO)	109.4963	0.032	3	109.4963	0.001	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3,6]O[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3,6]O[6]H)(CH3)	H(CHHO)	109.4723	0.039	6	109.4723	0.002	6	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3x6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3x6]C[6]H)(CH3)	H(CHHO)	109.4820	0.029	3	109.4820	0.001	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[3x6]O[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[3x6]O[6]H)(CH3)	H(CHHO)	109.4580	0.020	3	109.4580	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,3x6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,3x6]C[6]H)(CH3)	H(CHHO)	109.4808	0.040	45	109.4808	0.002	45	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(CHHO)	109.4716	0.027	22	109.4716	0.001	22	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,5,6]N[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,5,6]N[6]H)(CH3)	H(CHHO)	109.4750	0.000	1	109.4750	0.000	1	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,5,6]O[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,5,6]O[6]H)(CH3)	H(CHHO)	109.4516	0.044	10	109.4516	0.002	10	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6,6]2Cr)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6,6]2Cr)(CH3)	H(CHHO)	110.3715	3.241	6	110.3715	10.503	6	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6,6]C[5,6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[5,6]H)(CH3)	H(CHHO)	109.4380	0.021	3	109.4380	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6,6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6,6]H)(CH3)	H(CHHO)	109.4903	0.011	3	109.4903	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6]H)(CH3)	H(CHHO)	109.4718	0.032	9	109.4718	0.001	9	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6]O)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6]O)(CH3)	H(CHHO)	109.4854	0.015	5	109.4854	0.000	5	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6a]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6a]C[6])(CH3)	H(CHHO)	109.4567	0.015	3	109.4567	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]2H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]2H)(CH3)	H(CHHO)	109.4510	0.010	3	109.4510	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]C[6,6]C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]C[6,6]C)(CH3)	H(CHHO)	109.4812	0.035	5	109.4812	0.001	5	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]C[6,6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]C[6,6]H)(CH3)	H(CHHO)	109.4733	0.051	3	109.4733	0.003	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	H(CHHO)	109.3325	0.734	87	109.3325	0.538	87	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]C[6]O)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]O)(CH3)	H(CHHO)	109.4767	0.026	16	109.4767	0.001	16	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]C[6a]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]C[6a]C[6])(CH3)	H(CHHO)	109.4720	0.000	1	109.4720	0.000	1	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]C[6a]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]C[6a]O[6])(CH3)	H(CHHO)	109.4757	0.018	3	109.4757	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]O[6]C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]C)(CH3)	H(CHHO)	106.7430	2.806	3	106.7430	7.875	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	H(CHHO)	109.8100	1.406	37	109.8100	1.977	37	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5]C[6]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5]C[6]O[6])(CH3)	H(CHHO)	109.4526	0.027	10	109.4526	0.001	10	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]H)(CH3)	H(CHHO)	109.4881	0.031	12	109.4881	0.001	12	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]O)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]O)(CH3)	H(CHHO)	109.4629	0.025	12	109.4629	0.001	12	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5a,6]O[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5a,6]O[6]H)(CH3)	H(CHHO)	109.4600	0.013	3	109.4600	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5a]C[6]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5a]C[6]O[6])(CH3)	H(CHHO)	109.4610	0.028	4	109.4610	0.001	4	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[5x6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[5x6]C[6]H)(CH3)	H(CHHO)	109.4817	2.153	3	109.4817	4.634	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6]C[6]C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]C)(CH3)	H(CHHO)	109.5110	0.018	3	109.5110	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6]C[6]Cr)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]Cr)(CH3)	H(CHHO)	109.4601	0.036	26	109.4601	0.001	26	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	H(CHHO)	109.4777	0.265	67	109.4777	0.070	67	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6]C[6]O)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]O)(CH3)	H(CHHO)	109.8044	1.894	25	109.8044	3.588	25	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6]O[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6]O[6]H)(CH3)	H(CHHO)	109.9450	2.241	24	109.9450	5.021	24	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]2C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]2C)(CH3)	H(CHHO)	109.4698	0.023	4	109.4698	0.001	4	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]2C[6a])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]2C[6a])(CH3)	H(CHHO)	109.4616	0.019	5	109.4616	0.000	5	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]2O)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]2O)(CH3)	H(CHHO)	109.4854	0.029	5	109.4854	0.001	5	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]C[5,6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]C[5,6]H)(CH3)	H(CHHO)	109.4209	2.548	9	109.4209	6.490	9	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]C)(CH3)	H(CHHO)	109.2317	3.854	3	109.2317	14.856	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	H(CHHO)	109.4801	0.028	33	109.4801	0.001	33	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]O)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]O)(CH3)	H(CHHO)	109.4702	0.030	21	109.4702	0.001	21	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]C[6a]C[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6a]C[6])(CH3)	H(CHHO)	109.4922	0.047	4	109.4922	0.002	4	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]C)(CH3)	H(CHHO)	109.4678	0.025	11	109.4678	0.001	11	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]H)(CH3)	H(CHHO)	109.4698	0.030	13	109.4698	0.001	13	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]O[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]O[6]H)(CH3)	H(CHHO)	109.4715	0.046	4	109.4715	0.002	4	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6,6a]P[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6,6a]P[6]H)(CH3)	H(CHHO)	109.4297	0.051	3	109.4297	0.003	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	H(CHHO)	109.5160	2.533	76	109.5160	6.417	76	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2Co)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2Co)(CH3)	H(CHHO)	109.4833	0.032	3	109.4833	0.001	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2Cr)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2Cr)(CH3)	H(CHHO)	109.3517	1.064	41	109.3517	1.132	41	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2Fe)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2Fe)(CH3)	H(CHHO)	109.9861	1.053	10	109.9861	1.109	10	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	H(CHHO)	109.4598	0.665	514	109.4598	0.442	514	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2Ir)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2Ir)(CH3)	H(CHHO)	109.4640	0.021	3	109.4640	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2Mn)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2Mn)(CH3)	H(CHHO)	109.8471	1.043	28	109.8471	1.088	28	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2Ni)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2Ni)(CH3)	H(CHHO)	109.4690	0.041	6	109.4690	0.002	6	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	H(CHHO)	109.5451	1.038	116	109.5451	1.078	116	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2Rh)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2Rh)(CH3)	H(CHHO)	109.4957	0.022	3	109.4957	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]2Ru)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]2Ru)(CH3)	H(CHHO)	109.4560	1.355	16	109.4560	1.836	16	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]3)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]3)(CH3)	H(CHHO)	109.4693	0.035	3	109.4693	0.001	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]N[6]2)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]N[6]2)(CH3)	H(CHHO)	109.4710	0.044	3	109.4710	0.002	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]N[6]C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]N[6]C)(CH3)	H(CHHO)	109.4681	0.021	8	109.4681	0.000	8	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	H(CHHO)	109.6026	0.759	49	109.6026	0.576	49	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]N[6]O)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]N[6]O)(CH3)	H(CHHO)	109.4458	0.035	4	109.4458	0.001	4	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	H(CHHO)	109.5283	0.691	323	109.5283	0.477	323	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	H(CHHO)	109.4941	0.707	433	109.4941	0.500	433	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]O[6]O)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]O[6]O)(CH3)	H(CHHO)	109.4640	0.034	4	109.4640	0.001	4	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6]S[6]S)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6]S[6]S)(CH3)	H(CHHO)	109.3913	0.171	3	109.3913	0.029	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6a]C[6]2)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6a]C[6]2)(CH3)	H(CHHO)	109.6497	1.188	58	109.6497	1.412	58	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6a]C[6]N[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6a]C[6]N[6])(CH3)	H(CHHO)	108.7297	1.489	6	108.7297	2.216	6	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6a]C[6]O[6])(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6a]C[6]O[6])(CH3)	H(CHHO)	109.4689	0.037	16	109.4689	0.001	16	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6a]N[6]2)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6a]N[6]2)(CH3)	H(CHHO)	109.4785	0.057	6	109.4785	0.003	6	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]C[6a]S[6]2)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]C[6a]S[6]2)(CH3)	H(CHHO)	109.4709	0.033	9	109.4709	0.001	9	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]N[5,6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]N[5,6]C[6]H)(CH3)	H(CHHO)	109.4838	0.025	8	109.4838	0.001	8	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]N[5a,6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]N[5a,6]C[6]H)(CH3)	H(CHHO)	109.4873	0.021	3	109.4873	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]N[6,6]C[6]H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]N[6,6]C[6]H)(CH3)	H(CHHO)	109.4616	0.035	8	109.4616	0.001	8	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]N[6]2H)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]N[6]2H)(CH3)	H(CHHO)	109.4637	0.012	3	109.4637	0.000	3	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(H)3	O(C[6]O[6]2C)(CH3)	H(CHHO)	C(OC[6])(H)3	O(C[6]O[6]2C)(CH3)	H(CHHO)	109.4780	0.027	5	109.4780	0.001	5	109.4991	0.856	2372	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Ga-4:C-4:	C-4:	C(OGa)(H)3	O(GaC[5]CC)(CH3)	H(CHHO)	C(OGa)(H)3	O(GaC[5]CC)(CH3)	H(CHHO)	109.4833	0.061	3	109.4833	0.004	3	109.4833	0.004	3	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	I-4:C-4:	C-4:	C(OI)(H)3	O(IFFO)(CH3)	H(CHHO)	C(OI)(H)3	O(IFFO)(CH3)	H(CHHO)	104.5273	6.629	3	104.5273	43.944	3	104.5273	43.944	3	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	In-4:C-4:	C-4:	C(OIn)(H)3	O(InC[5]CC)(CH3)	H(CHHO)	C(OIn)(H)3	O(InC[5]CC)(CH3)	H(CHHO)	109.4775	0.093	2	109.4775	0.009	2	109.4775	0.009	2	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	N-4:C-4:	C-4:	C(ON)(H)3	O(NBCH)(CH3)	H(CHHO)	C(ON)(H)3	O(NBCH)(CH3)	H(CHHO)	109.4717	0.033	3	109.4717	0.001	3	109.4737	0.003	6	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	N-4:C-4:	C-4:	C(ON)(H)3	O(NPd2C)(CH3)	H(CHHO)	C(ON)(H)3	O(NPd2C)(CH3)	H(CHHO)	109.4757	0.076	3	109.4757	0.006	3	109.4737	0.003	6	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PBOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PBOO)(CH3)	H(CHHO)	109.4744	0.082	10	109.4744	0.007	10	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PCCO)(CH3)	H(CHHO)	C(OP)(H)3	O(PCCO)(CH3)	H(CHHO)	109.4480	0.055	7	109.4480	0.003	7	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PCHW)(CH3)	H(CHHO)	C(OP)(H)3	O(PCHW)(CH3)	H(CHHO)	109.5170	0.038	3	109.5170	0.001	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PCNO)(CH3)	H(CHHO)	C(OP)(H)3	O(PCNO)(CH3)	H(CHHO)	109.4587	0.025	9	109.4587	0.001	9	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PCOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PCOO)(CH3)	H(CHHO)	109.4392	0.801	318	109.4392	0.642	318	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PCOS)(CH3)	H(CHHO)	C(OP)(H)3	O(PCOS)(CH3)	H(CHHO)	109.5013	0.019	3	109.5013	0.000	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[4]OO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[4]OO)(CH3)	H(CHHO)	109.4770	0.025	5	109.4770	0.001	5	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[5]HW)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[5]HW)(CH3)	H(CHHO)	109.4950	0.021	3	109.4950	0.000	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[5]OO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[5]OO)(CH3)	H(CHHO)	109.3163	1.597	72	109.3163	2.550	72	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[5]SS)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[5]SS)(CH3)	H(CHHO)	109.4948	0.086	6	109.4948	0.007	6	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[5a]OO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[5a]OO)(CH3)	H(CHHO)	109.4719	0.022	32	109.4719	0.000	32	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6]2Cu)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6]2Cu)(CH3)	H(CHHO)	109.4997	0.017	3	109.4997	0.000	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6]2Re)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6]2Re)(CH3)	H(CHHO)	112.5887	2.734	3	112.5887	7.477	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6]OO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6]OO)(CH3)	H(CHHO)	109.4622	0.031	39	109.4622	0.001	39	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]2Fe)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]2Fe)(CH3)	H(CHHO)	109.4838	0.038	5	109.4838	0.001	5	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]2Ni)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]2Ni)(CH3)	H(CHHO)	109.4608	0.046	12	109.4608	0.002	12	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]2O)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]2O)(CH3)	H(CHHO)	109.4740	0.020	3	109.4740	0.000	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]2Pd)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]2Pd)(CH3)	H(CHHO)	109.4947	0.035	3	109.4947	0.001	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]2Pt)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]2Pt)(CH3)	H(CHHO)	109.4675	0.044	20	109.4675	0.002	20	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]2Re)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]2Re)(CH3)	H(CHHO)	107.5790	5.163	3	107.5790	26.655	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]2Rh)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]2Rh)(CH3)	H(CHHO)	109.4376	0.020	8	109.4376	0.000	8	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]2Ru)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]2Ru)(CH3)	H(CHHO)	109.4630	0.049	5	109.4630	0.002	5	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]C[6]Re)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]C[6]Re)(CH3)	H(CHHO)	112.3400	4.522	3	112.3400	20.446	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]CoO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]CoO)(CH3)	H(CHHO)	109.5138	0.032	5	109.5138	0.001	5	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]CuO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]CuO)(CH3)	H(CHHO)	109.4918	0.041	5	109.4918	0.002	5	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]FeO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]FeO)(CH3)	H(CHHO)	109.6667	2.594	20	109.6667	6.729	20	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]IrO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]IrO)(CH3)	H(CHHO)	109.2165	0.977	6	109.2165	0.955	6	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]OO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]OO)(CH3)	H(CHHO)	109.4655	0.026	24	109.4655	0.001	24	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]OS)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]OS)(CH3)	H(CHHO)	109.4945	0.041	6	109.4945	0.002	6	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]PdC)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]PdC)(CH3)	H(CHHO)	109.4633	0.053	3	109.4633	0.003	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]PdO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]PdO)(CH3)	H(CHHO)	109.4721	0.025	9	109.4721	0.001	9	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]PtO)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]PtO)(CH3)	H(CHHO)	109.4792	0.035	18	109.4792	0.001	18	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PC[6a]SS)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]SS)(CH3)	H(CHHO)	109.2711	0.836	19	109.2711	0.700	19	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PCoOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PCoOO)(CH3)	H(CHHO)	109.4824	0.050	60	109.4824	0.002	60	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PCrOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PCrOO)(CH3)	H(CHHO)	109.4815	0.029	13	109.4815	0.001	13	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PFe2O)(CH3)	H(CHHO)	C(OP)(H)3	O(PFe2O)(CH3)	H(CHHO)	109.4687	0.011	3	109.4687	0.000	3	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PFeNO)(CH3)	H(CHHO)	C(OP)(H)3	O(PFeNO)(CH3)	H(CHHO)	109.0885	1.858	20	109.0885	3.453	20	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PFeOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PFeOO)(CH3)	H(CHHO)	109.5075	0.477	118	109.5075	0.227	118	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PIrCC)(CH3)	H(CHHO)	C(OP)(H)3	O(PIrCC)(CH3)	H(CHHO)	109.4940	0.007	2	109.4940	0.000	2	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PIrOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PIrOO)(CH3)	H(CHHO)	109.4613	0.056	39	109.4613	0.003	39	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PMoOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PMoOO)(CH3)	H(CHHO)	109.3737	1.365	83	109.3737	1.863	83	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PNOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PNOO)(CH3)	H(CHHO)	109.4648	0.031	35	109.4648	0.001	35	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PNOS)(CH3)	H(CHHO)	C(OP)(H)3	O(PNOS)(CH3)	H(CHHO)	109.2304	1.791	47	109.2304	3.209	47	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PN[5]RuO)(CH3)	H(CHHO)	C(OP)(H)3	O(PN[5]RuO)(CH3)	H(CHHO)	109.4534	0.083	5	109.4534	0.007	5	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PNiOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PNiOO)(CH3)	H(CHHO)	109.4792	0.039	52	109.4792	0.002	52	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(POOS)(CH3)	H(CHHO)	C(OP)(H)3	O(POOS)(CH3)	H(CHHO)	109.4755	0.464	22	109.4755	0.215	22	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(POOW)(CH3)	H(CHHO)	C(OP)(H)3	O(POOW)(CH3)	H(CHHO)	109.4597	0.044	14	109.4597	0.002	14	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(POSS)(CH3)	H(CHHO)	C(OP)(H)3	O(POSS)(CH3)	H(CHHO)	109.4614	0.267	39	109.4614	0.071	39	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PO[6]RuO)(CH3)	H(CHHO)	C(OP)(H)3	O(PO[6]RuO)(CH3)	H(CHHO)	109.4844	0.053	5	109.4844	0.003	5	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(POsOO)(CH3)	H(CHHO)	C(OP)(H)3	O(POsOO)(CH3)	H(CHHO)	109.4623	0.054	29	109.4623	0.003	29	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PPdOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PPdOO)(CH3)	H(CHHO)	109.4820	0.050	23	109.4820	0.003	23	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PPtOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PPtOO)(CH3)	H(CHHO)	109.4731	0.046	21	109.4731	0.002	21	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PReOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PReOO)(CH3)	H(CHHO)	109.4845	0.082	13	109.4845	0.007	13	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PRhNO)(CH3)	H(CHHO)	C(OP)(H)3	O(PRhNO)(CH3)	H(CHHO)	109.4777	0.044	15	109.4777	0.002	15	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PRhOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PRhOO)(CH3)	H(CHHO)	109.4693	0.053	43	109.4693	0.003	43	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PRu2O)(CH3)	H(CHHO)	C(OP)(H)3	O(PRu2O)(CH3)	H(CHHO)	109.4177	0.067	6	109.4177	0.004	6	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PRuOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PRuOO)(CH3)	H(CHHO)	109.5721	1.025	370	109.5721	1.051	370	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P-4:C-4:	C-4:	C(OP)(H)3	O(PSeNO)(CH3)	H(CHHO)	C(OP)(H)3	O(PSeNO)(CH3)	H(CHHO)	109.4753	0.024	7	109.4753	0.001	7	109.4736	0.850	1774	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(H)3	O(P[5]C[5,6a]N[5]O)(CH3)	H(CHHO)	C(OP[5])(H)3	O(P[5]C[5,6a]N[5]O)(CH3)	H(CHHO)	109.4623	0.025	3	109.4623	0.001	3	109.4726	0.001	27	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(H)3	O(P[5]C[5,6a]P[5]Se)(CH3)	H(CHHO)	C(OP[5])(H)3	O(P[5]C[5,6a]P[5]Se)(CH3)	H(CHHO)	109.4980	0.054	2	109.4980	0.003	2	109.4726	0.001	27	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(H)3	O(P[5]N[5]2B)(CH3)	H(CHHO)	C(OP[5])(H)3	O(P[5]N[5]2B)(CH3)	H(CHHO)	109.4840	0.067	3	109.4840	0.004	3	109.4726	0.001	27	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(H)3	O(P[5]N[5]2Mo)(CH3)	H(CHHO)	C(OP[5])(H)3	O(P[5]N[5]2Mo)(CH3)	H(CHHO)	109.4721	0.034	16	109.4721	0.001	16	109.4726	0.001	27	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(H)3	O(P[5]N[5]O[5]O)(CH3)	H(CHHO)	C(OP[5])(H)3	O(P[5]N[5]O[5]O)(CH3)	H(CHHO)	109.4570	0.017	3	109.4570	0.000	3	109.4726	0.001	27	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[6,6]-4:C-4:	C-4:	C(OP[6,6])(H)3	O(P[6,6]C[3x6]2Pt)(CH3)	H(CHHO)	C(OP[6,6])(H)3	O(P[6,6]C[3x6]2Pt)(CH3)	H(CHHO)	109.4650	0.016	2	109.4650	0.000	2	109.4650	0.000	2	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(H)3	O(P[6]C[6]O[6]B)(CH3)	H(CHHO)	C(OP[6])(H)3	O(P[6]C[6]O[6]B)(CH3)	H(CHHO)	109.4627	0.061	3	109.4627	0.004	3	109.3972	0.194	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(H)3	O(P[6]C[6]O[6]O)(CH3)	H(CHHO)	C(OP[6])(H)3	O(P[6]C[6]O[6]O)(CH3)	H(CHHO)	108.9162	1.174	12	108.9162	1.379	12	109.3972	0.194	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(H)3	O(P[6]N[5]N[6]2)(CH3)	H(CHHO)	C(OP[6])(H)3	O(P[6]N[5]N[6]2)(CH3)	H(CHHO)	109.4930	0.040	2	109.4930	0.002	2	109.3972	0.194	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(H)3	O(P[6]N[6]2Cl)(CH3)	H(CHHO)	C(OP[6])(H)3	O(P[6]N[6]2Cl)(CH3)	H(CHHO)	109.4690	0.038	31	109.4690	0.001	31	109.3972	0.194	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(H)3	O(P[6]N[6]2N)(CH3)	H(CHHO)	C(OP[6])(H)3	O(P[6]N[6]2N)(CH3)	H(CHHO)	109.4797	0.018	3	109.4797	0.000	3	109.3972	0.194	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(H)3	O(P[6]N[6]2O)(CH3)	H(CHHO)	C(OP[6])(H)3	O(P[6]N[6]2O)(CH3)	H(CHHO)	109.4604	0.034	39	109.4604	0.001	39	109.3972	0.194	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(H)3	O(P[6]O[6]2Mo)(CH3)	H(CHHO)	C(OP[6])(H)3	O(P[6]O[6]2Mo)(CH3)	H(CHHO)	109.4843	0.014	4	109.4843	0.000	4	109.3972	0.194	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(H)3	O(P[6]O[6]2O)(CH3)	H(CHHO)	C(OP[6])(H)3	O(P[6]O[6]2O)(CH3)	H(CHHO)	109.4450	0.016	2	109.4450	0.000	2	109.3972	0.194	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	S-4:C-4:	C-4:	C(OS)(H)3	O(SC[6a]OO)(CH3)	H(CHHO)	C(OS)(H)3	O(SC[6a]OO)(CH3)	H(CHHO)	107.3775	3.124	6	107.3775	9.759	6	108.3193	6.050	11	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	S-4:C-4:	C-4:	C(OS)(H)3	O(SOOS)(CH3)	H(CHHO)	C(OS)(H)3	O(SOOS)(CH3)	H(CHHO)	109.4494	0.029	5	109.4494	0.001	5	108.3193	6.050	11	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiC3)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiC3)(CH3)	H(CHHO)	109.4592	0.030	5	109.4592	0.001	5	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiCCO)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiCCO)(CH3)	H(CHHO)	109.4780	0.028	2	109.4780	0.001	2	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiCOO)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiCOO)(CH3)	H(CHHO)	109.4647	0.035	15	109.4647	0.001	15	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiC[5]CC)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiC[5]CC)(CH3)	H(CHHO)	108.9255	0.844	4	108.9255	0.712	4	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiC[6a]2C)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiC[6a]2C)(CH3)	H(CHHO)	109.5043	0.296	3	109.5043	0.088	3	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiC[6a]2C[6])(CH3)	H(CHHO)	C(OSi)(H)3	O(SiC[6a]2C[6])(CH3)	H(CHHO)	109.4960	0.010	2	109.4960	0.000	2	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiC[6a]2Fe)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiC[6a]2Fe)(CH3)	H(CHHO)	109.4397	0.035	3	109.4397	0.001	3	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiC[6a]2O)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiC[6a]2O)(CH3)	H(CHHO)	109.4766	0.020	10	109.4766	0.000	10	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiC[6a]3)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiC[6a]3)(CH3)	H(CHHO)	109.4713	0.040	12	109.4713	0.002	12	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiC[6a]C[5]C)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiC[6a]C[5]C)(CH3)	H(CHHO)	109.4655	0.008	2	109.4655	0.000	2	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiC[6a]C[6]H)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiC[6a]C[6]H)(CH3)	H(CHHO)	109.4513	0.048	3	109.4513	0.002	3	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiFeCC)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiFeCC)(CH3)	H(CHHO)	110.8995	2.223	6	110.8995	4.942	6	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiFeOO)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiFeOO)(CH3)	H(CHHO)	109.1034	11.524	9	109.1034	132.799	9	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiN[5]CO)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiN[5]CO)(CH3)	H(CHHO)	109.4395	0.064	2	109.4395	0.004	2	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiNb[10x3]CC)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiNb[10x3]CC)(CH3)	H(CHHO)	111.0502	1.286	6	111.0502	1.653	6	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiSi2C)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiSi2C)(CH3)	H(CHHO)	109.4806	0.047	5	109.4806	0.002	5	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiSiNO)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiSiNO)(CH3)	H(CHHO)	109.4585	0.033	2	109.4585	0.001	2	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)(H)3	O(SiSi[5]SiO)(CH3)	H(CHHO)	C(OSi)(H)3	O(SiSi[5]SiO)(CH3)	H(CHHO)	109.4786	0.033	5	109.4786	0.001	5	109.6008	11.850	96	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si[5]-4:C-4:	C-4:	C(OSi[5])(H)3	O(Si[5]C[5]2C)(CH3)	H(CHHO)	C(OSi[5])(H)3	O(Si[5]C[5]2C)(CH3)	H(CHHO)	109.4785	0.024	6	109.4785	0.001	6	109.4877	0.001	16	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si[5]-4:C-4:	C-4:	C(OSi[5])(H)3	O(Si[5]C[5]2O)(CH3)	H(CHHO)	C(OSi[5])(H)3	O(Si[5]C[5]2O)(CH3)	H(CHHO)	109.5064	0.033	8	109.5064	0.001	8	109.4877	0.001	16	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si[5]-4:C-4:	C-4:	C(OSi[5])(H)3	O(Si[5]C[5]2Si)(CH3)	H(CHHO)	C(OSi[5])(H)3	O(Si[5]C[5]2Si)(CH3)	H(CHHO)	109.4405	0.016	2	109.4405	0.000	2	109.4877	0.001	16	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si[6]-4:C-4:	C-4:	C(OSi[6])(H)3	O(Si[6]C[6a]C[6]2)(CH3)	H(CHHO)	C(OSi[6])(H)3	O(Si[6]C[6a]C[6]2)(CH3)	H(CHHO)	109.4650	0.036	6	109.4650	0.001	6	109.4824	0.002	9	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	4:4:	4:	O-2:H-1:H-1:H-1:	Si[6]-4:C-4:	C-4:	C(OSi[6])(H)3	O(Si[6]Si[6]2C)(CH3)	H(CHHO)	C(OSi[6])(H)3	O(Si[6]Si[6]2C)(CH3)	H(CHHO)	109.5173	0.033	3	109.5173	0.001	3	109.4824	0.002	9	109.4890	1.200	11005	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	B[3,3,5,4x6]-5:C-4:	C-4:	C(OB[3,3,5,4x6])(H)3	O(B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Pt)(CH3)	H(CHHO)	C(OB[3,3,5,4x6])(H)3	O(B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Pt)(CH3)	H(CHHO)	109.4764	0.028	5	109.4764	0.001	5	109.4764	0.001	5	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	B[3]-5:C-4:	C-4:	C(OB[3])(H)3	O(B[3]B[3,3]2Ru2)(CH3)	H(CHHO)	C(OB[3])(H)3	O(B[3]B[3,3]2Ru2)(CH3)	H(CHHO)	109.4637	0.086	3	109.4637	0.007	3	109.4637	0.007	3	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	Ge[5,3x6]-5:C-4:	C-4:	C(OGe[5,3x6])(H)3	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CH3)	H(CHHO)	C(OGe[5,3x6])(H)3	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CH3)	H(CHHO)	109.4680	0.048	6	109.4680	0.002	6	109.4680	0.002	6	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PC[6a]NiSS)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]NiSS)(CH3)	H(CHHO)	109.4655	0.031	6	109.4655	0.001	6	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PC[6a]Se2Th)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]Se2Th)(CH3)	H(CHHO)	109.4557	0.066	3	109.4557	0.004	3	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PC[6a]ThSS)(CH3)	H(CHHO)	C(OP)(H)3	O(PC[6a]ThSS)(CH3)	H(CHHO)	109.4912	0.050	11	109.4912	0.003	11	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PCoDyOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PCoDyOO)(CH3)	H(CHHO)	109.4599	0.090	34	109.4599	0.008	34	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PCoErOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PCoErOO)(CH3)	H(CHHO)	109.4882	0.121	31	109.4882	0.015	31	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PCoGdOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PCoGdOO)(CH3)	H(CHHO)	109.4756	0.045	20	109.4756	0.002	20	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PCrOSS)(CH3)	H(CHHO)	C(OP)(H)3	O(PCrOSS)(CH3)	H(CHHO)	109.4807	0.591	9	109.4807	0.349	9	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PDyCOO)(CH3)	H(CHHO)	C(OP)(H)3	O(PDyCOO)(CH3)	H(CHHO)	109.4775	0.055	10	109.4775	0.003	10	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(POsOSS)(CH3)	H(CHHO)	C(OP)(H)3	O(POsOSS)(CH3)	H(CHHO)	109.4758	0.050	6	109.4758	0.003	6	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PPdOSS)(CH3)	H(CHHO)	C(OP)(H)3	O(PPdOSS)(CH3)	H(CHHO)	109.4720	0.038	2	109.4720	0.001	2	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P-5:C-4:	C-4:	C(OP)(H)3	O(PRuOSS)(CH3)	H(CHHO)	C(OP)(H)3	O(PRuOSS)(CH3)	H(CHHO)	109.4828	0.051	5	109.4828	0.003	5	109.4756	0.027	137	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	5:4:	4:	O-2:H-1:H-1:H-1:	P[5]-5:C-4:	C-4:	C(OP[5])(H)3	O(P[5]O[5]2OO)(CH3)	H(CHHO)	C(OP[5])(H)3	O(P[5]O[5]2OO)(CH3)	H(CHHO)	109.4857	0.034	6	109.4857	0.001	6	109.4857	0.001	6	109.4755	0.024	157	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:	C-4:	C(OB[3x3,3x5,12x6])(H)3	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CH3)	H(CHHO)	C(OB[3x3,3x5,12x6])(H)3	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CH3)	H(CHHO)	109.4762	0.045	5	109.4762	0.002	5	109.4762	0.002	5	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	B[3x3,5,6]-6:C-4:	C-4:	C(OB[3x3,5,6])(H)3	O(B[3x3,5,6]B[3x3,5,5,6]B[3x3,5,6]B[5x3,5]H[3]Rh)(CH3)	H(CHHO)	C(OB[3x3,5,6])(H)3	O(B[3x3,5,6]B[3x3,5,5,6]B[3x3,5,6]B[5x3,5]H[3]Rh)(CH3)	H(CHHO)	109.4580	0.044	3	109.4580	0.002	3	109.4580	0.002	3	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:C-4:	C-4:	C(OB[5x3,3x5,11x6])(H)3	O(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CH3)	H(CHHO)	C(OB[5x3,3x5,11x6])(H)3	O(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CH3)	H(CHHO)	109.4869	0.052	8	109.4869	0.003	8	109.4869	0.003	8	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:	C-4:	C(OB[5x3,5x5,20x6])(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	H(CHHO)	C(OB[5x3,5x5,20x6])(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)	H(CHHO)	109.4731	0.045	21	109.4731	0.002	21	109.4732	0.002	23	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:	C-4:	C(OB[5x3,5x5,20x6])(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)	H(CHHO)	C(OB[5x3,5x5,20x6])(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)	H(CHHO)	109.4740	0.016	2	109.4740	0.000	2	109.4732	0.002	23	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	Ga[4x6]-6:C-4:	C-4:	C(OGa[4x6])(H)3	O(Ga[4x6]N[5a,6,6]4O)(CH3)	H(CHHO)	C(OGa[4x6])(H)3	O(Ga[4x6]N[5a,6,6]4O)(CH3)	H(CHHO)	109.4590	0.029	3	109.4590	0.001	3	109.4590	0.001	3	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	In[5]-6:C-4:	C-4:	C(OIn[5])(H)3	O(In[5]N[5,6]2Cl3)(CH3)	H(CHHO)	C(OIn[5])(H)3	O(In[5]N[5,6]2Cl3)(CH3)	H(CHHO)	109.4193	0.052	3	109.4193	0.003	3	109.4193	0.003	3	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	Nb[6]-6:C-4:	C-4:	C(ONb[6])(H)3	O(Nb[6]O[6]2Cl2O)(CH3)	H(CHHO)	C(ONb[6])(H)3	O(Nb[6]O[6]2Cl2O)(CH3)	H(CHHO)	109.4732	0.047	6	109.4732	0.002	6	109.4741	0.001	11	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	Nb[6]-6:C-4:	C-4:	C(ONb[6])(H)3	O(Nb[6]O[6]2ClOO)(CH3)	H(CHHO)	C(ONb[6])(H)3	O(Nb[6]O[6]2ClOO)(CH3)	H(CHHO)	109.4752	0.025	5	109.4752	0.001	5	109.4741	0.001	11	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:1:1:1:	6:4:	4:	O-2:H-1:H-1:H-1:	Si[4x6]-6:C-4:	C-4:	C(OSi[4x6])(H)3	O(Si[4x6]N[5a,6,6]4O)(CH3)	H(CHHO)	C(OSi[4x6])(H)3	O(Si[4x6]N[5a,6,6]4O)(CH3)	H(CHHO)	109.4980	0.033	3	109.4980	0.001	3	109.4980	0.001	3	109.4725	0.002	59	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	3:4:	4:	O-2:O-2:H-1:H-1:	N[5a]-3:C-4:	C-4:	C(ON[5a])2(H)2	O(N[5a]C[5a,6a]N[5a])(CHHO)	H(CHOO)	C(ON[5a])2(H)2	O(N[5a]C[5a,6a]N[5a])(CHHO)	H(CHOO)	109.2105	0.005	2	109.2105	0.000	2	109.2105	0.000	2	109.2105	0.000	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:1:	4:	C-2:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1763	1.283	19	109.1763	1.647	19	109.3358	2.069	20	109.2261	1.773	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:1:	4:	C-2:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	112.3670	0.000	1	112.3670	0.000	1	109.3358	2.069	20	109.2261	1.773	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:1:	4:	O-2:S-2:H-1:H-1:	C-4:H-1:	C-4:	C(OH)(SC)(H)2	O(CHHS)(H)	H(CHOS)	C(OH)(SC)(H)2	O(CHHS)(H)	H(CHOS)	108.6778	0.089	4	108.6778	0.008	4	108.6778	0.008	4	109.2261	1.773	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:3:	4:	O-2:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(OC)(ON)(H)2	O(CHHO)(NCS)	H(CHOO)	C(OC)(ON)(H)2	O(CHHO)(NCS)	H(CHOO)	104.0719	7.111	2	104.0719	50.563	2	104.0719	50.563	2	104.0719	50.563	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.3771	0.710	7	109.3771	0.504	7	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CC)(OC)(H)2	O(CCHH)2	H(CCHO)	108.9410	0.617	31	108.9410	0.381	31	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CCHO)	109.4175	0.354	4	109.4175	0.125	4	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[5a]CH)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[5a]CH)(CCHH)	H(CCHO)	108.9315	0.063	2	108.9315	0.004	2	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	109.0985	0.804	4	109.0985	0.647	4	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[6a]2C)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[6a]2C)(CCHH)	H(CCHO)	110.0220	0.016	2	110.0220	0.000	2	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	109.0705	0.031	6	109.0705	0.001	6	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.1628	0.404	40	109.1628	0.164	40	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CCHO)	C(CN)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CCHO)	109.4375	0.006	2	109.4375	0.000	2	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CN)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	109.3175	0.009	2	109.3175	0.000	2	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CO)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CO)(OC)(H)2	O(CCHH)2	H(CCHO)	109.9332	0.231	6	109.9332	0.054	6	109.1776	0.295	106	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	C-2:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	106.9135	4.089	2	106.9135	16.722	2	106.9135	16.722	2	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	N-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(NMo)(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	C(NMo)(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	109.3850	0.071	2	109.3850	0.005	2	109.3850	0.005	2	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:C-2:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(CC)(H)2	O(B[6]N[5a,6]2O)(CCHH)	H(CCHO)	C(OB[6])(CC)(H)2	O(B[6]N[5a,6]2O)(CCHH)	H(CCHO)	109.2326	0.106	8	109.2326	0.011	8	109.2326	0.011	8	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:C-2:H-1:H-1:	C-4:Si-4:	C-4:	C(OSi)(CC)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(OSi)(CC)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.0405	0.341	4	109.0405	0.117	4	109.0405	0.117	4	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:C-2:H-1:H-1:	C[3x6]-4:C-4:	C-4:	C(OC[3x6])(CC)(H)2	O(C[3x6]C[6,6]3)(CCHH)	H(CCHO)	C(OC[3x6])(CC)(H)2	O(C[3x6]C[6,6]3)(CCHH)	H(CCHO)	109.9880	0.013	2	109.9880	0.000	2	109.9880	0.000	2	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:C-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(CC)(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CCHH)	H(CCHO)	C(OC[5,6])(CC)(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CCHH)	H(CCHO)	109.5422	0.293	4	109.5422	0.086	4	109.5422	0.086	4	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:C-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CC)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	H(CCHO)	C(OC[5])(CC)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	H(CCHO)	109.0585	0.030	2	109.0585	0.001	2	109.0585	0.001	2	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:C-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CC)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	C(OC[6])(CC)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	109.0315	0.032	2	109.0315	0.001	2	109.0532	0.007	6	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:C-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CC)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CC)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.0640	0.103	4	109.0640	0.011	4	109.0532	0.007	6	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)(ON)(H)2	O(CHHO)(CH3)	H(CHOO)	C(OC)(ON)(H)2	O(CHHO)(CH3)	H(CHOO)	111.3630	5.992	2	111.3630	35.904	2	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CCCH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CCCH)(CHHO)	H(CHOO)	109.0537	1.073	21	109.0537	1.151	21	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CCHH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CCHH)(CHHO)	H(CHOO)	108.6081	1.742	21	108.6081	3.036	21	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[3]HH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[3]HH)(CHHO)	H(CHOO)	108.6630	0.408	4	108.6630	0.167	4	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[4]HH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[4]HH)(CHHO)	H(CHOO)	108.6930	0.010	2	108.6930	0.000	2	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[5,6]C[6a]H)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[5,6]C[6a]H)(CHHO)	H(CHOO)	109.0092	0.104	8	109.0092	0.011	8	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[5,6]HH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[5,6]HH)(CHHO)	H(CHOO)	108.8397	0.020	4	108.8397	0.000	4	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[5]CH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[5]CH)(CHHO)	H(CHOO)	109.0041	0.381	14	109.0041	0.145	14	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[5]HH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[5]HH)(CHHO)	H(CHOO)	108.7698	0.583	12	108.7698	0.340	12	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[5a]CH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[5a]CH)(CHHO)	H(CHOO)	108.6448	0.165	4	108.6448	0.027	4	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[6]CH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[6]CH)(CHHO)	H(CHOO)	108.8020	0.250	4	108.8020	0.062	4	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[6]HH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[6]HH)(CHHO)	H(CHOO)	108.6680	0.016	2	108.6680	0.000	2	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[6a]2C)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[6a]2C)(CHHO)	H(CHOO)	108.9255	0.016	2	108.9255	0.000	2	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[6a]2H)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[6a]2H)(CHHO)	H(CHOO)	109.0058	0.025	4	109.0058	0.001	4	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[6a]CH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[6a]CH)(CHHO)	H(CHOO)	108.9725	0.070	6	108.9725	0.005	6	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CC[6a]HH)(CHHO)	H(CHOO)	C(OC)2(H)2	O(CC[6a]HH)(CHHO)	H(CHOO)	108.7794	1.505	9	108.7794	2.265	9	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CHHO)(CH3)	H(CHOO)	C(OC)2(H)2	O(CHHO)(CH3)	H(CHOO)	108.8791	0.497	71	108.8791	0.247	71	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC)2(H)2	O(CHHO)2	H(CHOO)	C(OC)2(H)2	O(CHHO)2	H(CHOO)	109.0801	0.090	31	109.0801	0.008	31	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC[4])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	C(OC[4])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	108.2898	0.783	6	108.2898	0.613	6	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC[5,6,6])(OC)(H)2	O(CC[6a]HH)(CHHO)	H(CHOO)	C(OC[5,6,6])(OC)(H)2	O(CC[6a]HH)(CHHO)	H(CHOO)	110.2220	0.000	1	110.2220	0.000	1	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC[5,6])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	C(OC[5,6])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	108.8937	0.193	12	108.8937	0.037	12	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC[5])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	C(OC[5])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	108.9179	0.119	18	108.9179	0.014	18	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(CC[6,6]HH)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(CC[6,6]HH)(CHHO)	H(CHOO)	108.9955	0.086	2	108.9955	0.007	2	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(CC[6a]HH)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(CC[6a]HH)(CHHO)	H(CHOO)	108.9925	0.057	2	108.9925	0.003	2	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	C(OC[6])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	108.6665	1.431	93	108.6665	2.046	93	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC[6a])(OC)(H)2	O(CCHH)(CHHO)	H(CHOO)	C(OC[6a])(OC)(H)2	O(CCHH)(CHHO)	H(CHOO)	109.2245	1.238	6	109.2245	1.532	6	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(OC[6a])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	C(OC[6a])(OC)(H)2	O(CHHO)(CH3)	H(CHOO)	109.2396	0.781	194	109.2396	0.609	194	108.9858	0.946	555	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(OC)(OP)(H)2	O(CHHO)(PCOO)	H(CHOO)	C(OC)(OP)(H)2	O(CHHO)(PCOO)	H(CHOO)	108.8537	2.217	7	108.8537	4.913	7	108.8537	4.913	7	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(OC)(H)2	O(C[4]C[4]2H)(CHHO)	H(CHOO)	C(OC[4])(OC)(H)2	O(C[4]C[4]2H)(CHHO)	H(CHOO)	108.6997	0.662	6	108.6997	0.438	6	108.6997	0.438	6	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:	C(OC[5,6,6])(OC)(H)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	H(CHOO)	C(OC[5,6,6])(OC)(H)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	H(CHOO)	110.2220	0.047	2	110.2220	0.002	2	110.2220	0.002	2	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	H(CHOO)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	H(CHOO)	108.7437	0.071	6	108.7437	0.005	6	108.8655	0.058	13	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2C[5])(CHHO)	H(CHOO)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2C[5])(CHHO)	H(CHOO)	109.2875	0.006	2	109.2875	0.000	2	108.8655	0.058	13	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2H)(CHHO)	H(CHOO)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2H)(CHHO)	H(CHOO)	108.8428	0.238	5	108.8428	0.057	5	108.8655	0.058	13	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,5,6]C[5]H)(CHHO)	H(CHOO)	C(OC[5])(OC)(H)2	O(C[5]C[5,5,6]C[5]H)(CHHO)	H(CHOO)	108.9390	0.008	2	108.9390	0.000	2	108.9223	0.016	19	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,5]C[5]H)(CHHO)	H(CHOO)	C(OC[5])(OC)(H)2	O(C[5]C[5,5]C[5]H)(CHHO)	H(CHOO)	109.0400	0.048	4	109.0400	0.002	4	108.9223	0.016	19	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]2H)(CHHO)	H(CHOO)	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]2H)(CHHO)	H(CHOO)	108.7040	0.007	2	108.7040	0.000	2	108.9223	0.016	19	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]C[5]H)(CHHO)	H(CHOO)	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]C[5]H)(CHHO)	H(CHOO)	108.7695	0.011	2	108.7695	0.000	2	108.9223	0.016	19	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,6]2H)(CHHO)	H(CHOO)	C(OC[5])(OC)(H)2	O(C[5]C[5,6]2H)(CHHO)	H(CHOO)	108.8230	0.008	2	108.8230	0.000	2	108.9223	0.016	19	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,6]C[5]H)(CHHO)	H(CHOO)	C(OC[5])(OC)(H)2	O(C[5]C[5,6]C[5]H)(CHHO)	H(CHOO)	109.0385	0.041	4	109.0385	0.002	4	108.9223	0.016	19	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5]2C)(CHHO)	H(CHOO)	C(OC[5])(OC)(H)2	O(C[5]C[5]2C)(CHHO)	H(CHOO)	108.9460	0.010	2	108.9460	0.000	2	108.9223	0.016	19	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5]2H)(CHHO)	H(CHOO)	C(OC[5])(OC)(H)2	O(C[5]C[5]2H)(CHHO)	H(CHOO)	108.8460	0.000	1	108.8460	0.000	1	108.9223	0.016	19	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[3x6]C[6]H)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[3x6]C[6]H)(CHHO)	H(CHOO)	109.1970	0.034	2	109.1970	0.001	2	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[5,6,6]C[6]H)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[5,6,6]C[6]H)(CHHO)	H(CHOO)	109.0155	0.057	4	109.0155	0.003	4	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]C)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]C)(CHHO)	H(CHOO)	108.6470	0.017	2	108.6470	0.000	2	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	H(CHOO)	108.8849	0.186	8	108.8849	0.034	8	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	H(CHOO)	108.6878	0.323	6	108.6878	0.105	6	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	H(CHOO)	109.0725	0.075	4	109.0725	0.006	4	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2C)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[6]2C)(CHHO)	H(CHOO)	110.0134	3.173	8	110.0134	10.065	8	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2Cr)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[6]2Cr)(CHHO)	H(CHOO)	108.9868	0.222	4	108.9868	0.049	4	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	H(CHOO)	108.6747	0.974	45	108.6747	0.950	45	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2Ru)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[6]2Ru)(CHHO)	H(CHOO)	109.1453	0.055	4	109.1453	0.003	4	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6a]C[6]2)(CHHO)	H(CHOO)	C(OC[6])(OC)(H)2	O(C[6]C[6a]C[6]2)(CHHO)	H(CHOO)	108.6023	0.523	12	108.6023	0.274	12	108.8633	1.330	99	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(OSi)2(H)2	O(SiC[6a]3)(CHHO)	H(CHOO)	C(OSi)2(H)2	O(SiC[6a]3)(CHHO)	H(CHOO)	108.9322	1.662	4	108.9322	2.763	4	108.9322	2.763	4	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	O-2:S-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(SC)(H)2	O(C[5]C[5]2C)(CHHS)	H(CHOS)	C(OC[5])(SC)(H)2	O(C[5]C[5]2C)(CHHS)	H(CHOS)	110.1015	0.045	2	110.1015	0.002	2	110.1015	0.002	2	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:1:1:	4:4:	4:	S-2:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(SC[6a])(OC)(H)2	O(CHHS)(CH3)	H(CHOS)	C(SC[6a])(OC)(H)2	O(CHHS)(CH3)	H(CHOS)	110.9920	6.794	2	110.9920	46.157	2	110.9920	46.157	2	109.0035	0.974	845	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:2:1:	4:4:	4:	C-2:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	C(CC)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	108.2848	3.054	6	108.2848	9.326	6	108.2848	9.326	6	108.9949	8.390	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:2:2:1:	4:4:	4:	O-2:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(OC)3(H)	O(CCHH)(CHOO)	H(CO3)	C(OC)3(H)	O(CCHH)(CHOO)	H(CO3)	111.1250	0.008	2	111.1250	0.000	2	111.1250	0.000	2	108.9949	8.390	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(CCN)(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	C(ON[5])(CCN)(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	109.3590	0.203	7	109.3590	0.041	7	109.3590	0.041	7	109.5413	0.155	11	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	3:4:	4:	O-2:C-3:H-1:H-1:	N[6]-3:C-4:	C-4:	C(ON[6])(CCN)(H)2	O(N[6]C[6]2)(CCHH)	H(CCHO)	C(ON[6])(CCN)(H)2	O(N[6]C[6]2)(CCHH)	H(CCHO)	109.8603	0.470	4	109.8603	0.221	4	109.8603	0.221	4	109.5413	0.155	11	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	B[6,6]-4:C-4:	C-4:	C(OB[6,6])(CCH)(H)2	O(B[6,6]N[6,6]N[6]2)(CCHH)	H(CCHO)	C(OB[6,6])(CCH)(H)2	O(B[6,6]N[6,6]N[6]2)(CCHH)	H(CCHO)	109.7800	0.006	2	109.7800	0.000	2	109.7800	0.000	2	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCH)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	H(CCHO)	C(OC[5])(CCH)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	H(CCHO)	108.7680	0.006	2	108.7680	0.000	2	109.1312	0.187	4	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCH)(H)2	O(C[5]C[5]N[5]C)(CCHH)	H(CCHO)	C(OC[5])(CCH)(H)2	O(C[5]C[5]N[5]C)(CCHH)	H(CCHO)	109.4945	0.182	2	109.4945	0.033	2	109.1312	0.187	4	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCH)(H)2	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	H(CCHO)	C(OC[6])(CCH)(H)2	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	H(CCHO)	108.3670	0.152	3	108.3670	0.023	3	109.1693	0.908	15	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCH)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	C(OC[6])(CCH)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	108.6405	0.022	2	108.6405	0.000	2	109.1693	0.908	15	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.9428	0.489	8	109.9428	0.239	8	109.1693	0.908	15	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCO)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	C(OC[6])(CCO)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	107.8075	0.011	2	107.8075	0.000	2	109.1693	0.908	15	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCH)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	C(OP[6])(CCH)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	109.1159	0.198	20	109.1159	0.039	20	108.4898	2.951	26	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCH)(H)2	O(P[6]O[6]2B)(CCHH)	H(CCHO)	C(OP[6])(CCH)(H)2	O(P[6]O[6]2B)(CCHH)	H(CCHO)	104.9652	2.180	4	104.9652	4.753	4	108.4898	2.951	26	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:C-3:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCH)(H)2	O(P[6]O[6]2O)(CCHH)	H(CCHO)	C(OP[6])(CCH)(H)2	O(P[6]O[6]2O)(CCHH)	H(CCHO)	109.2780	0.011	2	109.2780	0.000	2	108.4898	2.951	26	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	4:4:	4:	O-2:N-3:H-1:H-1:	Ge[6]-4:C-4:	C-4:	C(OGe[6])(NCC)(H)2	O(Ge[6]N[6]2O)(CHHN)	H(CHNO)	C(OGe[6])(NCC)(H)2	O(Ge[6]N[6]2O)(CHHN)	H(CHNO)	109.2480	0.006	2	109.2480	0.000	2	109.2480	0.000	2	108.8338	1.965	49	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	5:4:	4:	O-2:C-3:H-1:H-1:	C[3,3,5,5,6,6]-5:C-4:	C-4:	C(OC[3,3,5,5,6,6])(CFeC)(H)2	O(C[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(CCHH)	H(CCHO)	C(OC[3,3,5,5,6,6])(CFeC)(H)2	O(C[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(CCHH)	H(CCHO)	109.2700	0.222	5	109.2700	0.049	5	109.2700	0.049	5	109.2700	0.049	5	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:3:1:1:	6:4:	4:	O-2:C-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:	C-4:	C(OC[5x3,5x5,20x6])(CCO)(H)2	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)	H(CCHO)	C(OC[5x3,5x5,20x6])(CCO)(H)2	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)	H(CCHO)	108.9455	0.049	2	108.9455	0.002	2	108.9455	0.002	2	108.9455	0.002	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(CCHH)(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	C(ON[5])(CCHH)(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	110.4067	0.201	7	110.4067	0.041	7	110.0614	0.500	9	109.7080	0.495	29	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(CHHO)(H)2	O(N[5]C[5]N[5])(CCHH)	H(CCHO)	C(ON[5])(CHHO)(H)2	O(N[5]C[5]N[5])(CCHH)	H(CCHO)	108.8530	0.047	2	108.8530	0.002	2	110.0614	0.500	9	109.7080	0.495	29	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	N[5a]-3:C-4:	C-4:	C(ON[5a])(CHHO)(H)2	O(N[5a]C[5a]N[5a])(CCHH)	H(CCHO)	C(ON[5a])(CHHO)(H)2	O(N[5a]C[5a]N[5a])(CCHH)	H(CCHO)	109.6946	0.643	7	109.6946	0.413	7	109.6946	0.413	7	109.7080	0.495	29	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	N[6]-3:C-4:	C-4:	C(ON[6])(CCHH)(H)2	O(N[6]C[5,6]C[6])(CCHH)	H(CCHO)	C(ON[6])(CCHH)(H)2	O(N[6]C[5,6]C[6])(CCHH)	H(CCHO)	108.5670	0.018	4	108.5670	0.000	4	108.5670	0.000	4	109.7080	0.495	29	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	N[6a]-3:C-4:	C-4:	C(ON[6a])(CCHH)(H)2	O(N[6a]C[6a]2)(CCHH)	H(CCHO)	C(ON[6a])(CCHH)(H)2	O(N[6a]C[6a]2)(CCHH)	H(CCHO)	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.7080	0.495	29	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	P[4]-3:C-4:	C-4:	C(OP[4])(CC3)(H)2	O(P[4]N[4]2)(CCHH)	H(CCHO)	C(OP[4])(CC3)(H)2	O(P[4]N[4]2)(CCHH)	H(CCHO)	110.0910	0.014	2	110.0910	0.000	2	109.9250	0.038	4	109.7080	0.495	29	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	P[4]-3:C-4:	C-4:	C(OP[4])(CF3)(H)2	O(P[4]N[4]2)(CCHH)	H(CCHO)	C(OP[4])(CF3)(H)2	O(P[4]N[4]2)(CCHH)	H(CCHO)	109.7590	0.051	2	109.7590	0.003	2	109.9250	0.038	4	109.7080	0.495	29	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	P[5]-3:C-4:	C-4:	C(OP[5])(CCHH)(H)2	O(P[5]C[5]2)(CCHH)	H(CCHO)	C(OP[5])(CCHH)(H)2	O(P[5]C[5]2)(CCHH)	H(CCHO)	109.5215	0.025	2	109.5215	0.001	2	109.8992	0.190	4	109.7080	0.495	29	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	3:4:	4:	O-2:C-4:H-1:H-1:	P[5]-3:C-4:	C-4:	C(OP[5])(CHHN)(H)2	O(P[5]N[5]2)(CCHH)	H(CCHO)	C(OP[5])(CHHN)(H)2	O(P[5]N[5]2)(CCHH)	H(CCHO)	110.2770	0.008	2	110.2770	0.000	2	109.8992	0.190	4	109.7080	0.495	29	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	B[3x6]-4:C-4:	C-4:	C(OB[3x6])(CCHH)(H)2	O(B[3x6]N[5a,6,6]3)(CCHH)	H(CCHO)	C(OB[3x6])(CCHH)(H)2	O(B[3x6]N[5a,6,6]3)(CCHH)	H(CCHO)	109.6280	0.028	2	109.6280	0.001	2	109.6280	0.001	2	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	B[5]-4:C-4:	C-4:	C(OB[5])(CH3)(H)2	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	H(CCHO)	C(OB[5])(CH3)(H)2	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	H(CCHO)	109.9829	0.105	7	109.9829	0.011	7	109.9193	0.018	10	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	B[5]-4:C-4:	C-4:	C(OB[5])(CHHO)(H)2	O(B[5]C[5]O[5]2)(CCHH)	H(CCHO)	C(OB[5])(CHHO)(H)2	O(B[5]C[5]O[5]2)(CCHH)	H(CCHO)	109.7710	0.026	3	109.7710	0.001	3	109.9193	0.018	10	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(CCFF)(H)2	O(B[6]N[5a,6]2O)(CCHH)	H(CCHO)	C(OB[6])(CCFF)(H)2	O(B[6]N[5a,6]2O)(CCHH)	H(CCHO)	110.0088	0.036	4	110.0088	0.001	4	109.3375	2.228	22	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(CCHH)(H)2	O(B[6]C[6]N[6]O)(CCHH)	H(CCHO)	C(OB[6])(CCHH)(H)2	O(B[6]C[6]N[6]O)(CCHH)	H(CCHO)	108.3776	2.236	8	108.3776	4.998	8	109.3375	2.228	22	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(CH3)(H)2	O(B[6]C[6]2Ru)(CCHH)	H(CCHO)	C(OB[6])(CH3)(H)2	O(B[6]C[6]2Ru)(CCHH)	H(CCHO)	109.8328	0.150	6	109.8328	0.023	6	109.3375	2.228	22	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(CH3)(H)2	O(B[6]N[5a,6]2O)(CCHH)	H(CCHO)	C(OB[6])(CH3)(H)2	O(B[6]N[5a,6]2O)(CCHH)	H(CCHO)	109.9165	0.015	2	109.9165	0.000	2	109.3375	2.228	22	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(CHHN)(H)2	O(B[6]N[5a,6]2C[6a])(CCHH)	H(CCHO)	C(OB[6])(CHHN)(H)2	O(B[6]N[5a,6]2C[6a])(CCHH)	H(CCHO)	109.7695	0.028	2	109.7695	0.001	2	109.3375	2.228	22	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[3,6]-4:C-4:	C-4:	C(OC[3,6])(CH3)(H)2	O(C[3,6]C[3,6]C[3]C[6])(CCHH)	H(CCHO)	C(OC[3,6])(CH3)(H)2	O(C[3,6]C[3,6]C[3]C[6])(CCHH)	H(CCHO)	110.1390	0.010	3	110.1390	0.000	3	110.1390	0.000	3	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(CCCN)(H)2	O(C[3]C[3]O[3]C)(CCHH)	H(CCHO)	C(OC[3])(CCCN)(H)2	O(C[3]C[3]O[3]C)(CCHH)	H(CCHO)	108.6540	0.000	1	108.6540	0.000	1	109.1650	0.086	5	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[3]-4:C-4:	C-4:	C(OC[3])(CCHN)(H)2	O(C[3]C[3]2H)(CCHH)	H(CCHO)	C(OC[3])(CCHN)(H)2	O(C[3]C[3]2H)(CCHH)	H(CCHO)	109.2927	0.073	4	109.2927	0.005	4	109.1650	0.086	5	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[3x6]-4:C-4:	C-4:	C(OC[3x6])(CH3)(H)2	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	H(CCHO)	C(OC[3x6])(CH3)(H)2	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	H(CCHO)	110.2049	0.097	8	110.2049	0.009	8	110.2049	0.009	8	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[4,6]-4:C-4:	C-4:	C(OC[4,6])(CH3)(H)2	O(C[4,6]C[4,6]C[4]C[6])(CCHH)	H(CCHO)	C(OC[4,6])(CH3)(H)2	O(C[4,6]C[4,6]C[4]C[6])(CCHH)	H(CCHO)	110.2410	0.004	2	110.2410	0.000	2	110.2410	0.000	2	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(CCHH)(H)2	O(C[4]C[6a]C[4]N[4])(CCHH)	H(CCHO)	C(OC[4])(CCHH)(H)2	O(C[4]C[6a]C[4]N[4])(CCHH)	H(CCHO)	108.9295	0.017	4	108.9295	0.000	4	109.2039	0.188	10	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(CH3)(H)2	O(C[4]C[4,6]C[4]H)(CCHH)	H(CCHO)	C(OC[4])(CH3)(H)2	O(C[4]C[4,6]C[4]H)(CCHH)	H(CCHO)	109.9765	0.018	2	109.9765	0.000	2	109.2039	0.188	10	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(CH3)(H)2	O(C[4]C[4]2H)(CCHH)	H(CCHO)	C(OC[4])(CH3)(H)2	O(C[4]C[4]2H)(CCHH)	H(CCHO)	109.0920	0.222	4	109.0920	0.049	4	109.2039	0.188	10	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	H(CCHO)	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	H(CCHO)	109.7649	0.929	7	109.7649	0.862	7	109.8220	0.533	11	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	H(CCHO)	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	H(CCHO)	110.0745	0.006	2	110.0745	0.000	2	109.8220	0.533	11	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	H(CCHO)	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	H(CCHO)	109.7695	0.011	2	109.7695	0.000	2	109.8220	0.533	11	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:	C(OC[5,6,6])(CFHH)(H)2	O(C[5,6,6]C[5,6,6]3)(CCHH)	H(CCHO)	C(OC[5,6,6])(CFHH)(H)2	O(C[5,6,6]C[5,6,6]3)(CCHH)	H(CCHO)	110.1240	0.112	4	110.1240	0.012	4	110.0940	0.029	8	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:	C(OC[5,6,6])(CFHH)(H)2	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCHH)	H(CCHO)	C(OC[5,6,6])(CFHH)(H)2	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCHH)	H(CCHO)	110.0640	0.230	4	110.0640	0.053	4	110.0940	0.029	8	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	H(CCHO)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	H(CCHO)	109.9376	0.111	8	109.9376	0.012	8	109.9549	0.023	20	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	H(CCHO)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	H(CCHO)	109.9017	0.164	4	109.9017	0.027	4	109.9549	0.023	20	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	H(CCHO)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	H(CCHO)	109.8835	0.071	2	109.8835	0.005	2	109.9549	0.023	20	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	H(CCHO)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	H(CCHO)	109.9698	0.118	5	109.9698	0.014	5	109.9549	0.023	20	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(CH3)(H)2	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	H(CCHO)	C(OC[5,6])(CH3)(H)2	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	H(CCHO)	110.3740	0.000	1	110.3740	0.000	1	109.9549	0.023	20	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	H(CCHO)	109.8774	0.077	12	109.8774	0.006	12	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]C[5]O)(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]C[5]O)(CCHH)	H(CCHO)	107.9800	0.017	2	107.9800	0.000	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]O[5]H)(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]O[5]H)(CCHH)	H(CCHO)	109.9365	0.032	4	109.9365	0.001	4	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	H(CCHO)	107.5953	2.407	7	107.5953	5.794	7	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	H(CCHO)	109.7757	0.161	3	109.7757	0.026	3	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]N[5]N)(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]N[5]N)(CCHH)	H(CCHO)	110.0795	0.077	4	110.0795	0.006	4	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5]2O)(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5]2O)(CCHH)	H(CCHO)	109.1880	0.031	2	109.1880	0.001	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(H)2	O(C[5]C[5]O[5]H)(CCHH)	H(CCHO)	C(OC[5])(CCHH)(H)2	O(C[5]C[5]O[5]H)(CCHH)	H(CCHO)	109.6580	0.000	1	109.6580	0.000	1	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHO)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	H(CCHO)	C(OC[5])(CCHO)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	H(CCHO)	109.8955	0.071	2	109.8955	0.005	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[3]C[5]O[5])(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[3]C[5]O[5])(CCHH)	H(CCHO)	109.9295	0.040	2	109.9295	0.002	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5,6]C)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5,6]C)(CCHH)	H(CCHO)	109.6280	0.033	2	109.6280	0.001	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5]2)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5]2)(CCHH)	H(CCHO)	110.1120	0.023	2	110.1120	0.001	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5]O)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5]O)(CCHH)	H(CCHO)	110.2910	0.089	3	110.2910	0.008	3	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]O[5]H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]O[5]H)(CCHH)	H(CCHO)	109.1677	3.354	4	109.1677	11.251	4	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6]2Ru)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6]2Ru)(CCHH)	H(CCHO)	110.1025	0.226	8	110.1025	0.051	8	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5,5]H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5,5]H)(CCHH)	H(CCHO)	109.0470	0.807	4	109.0470	0.652	4	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	H(CCHO)	110.2085	0.022	2	110.2085	0.000	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	H(CCHO)	109.9215	0.146	11	109.9215	0.021	11	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5]O)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5]O)(CCHH)	H(CCHO)	110.2772	0.052	6	110.2772	0.003	6	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	H(CCHO)	109.9620	0.014	2	109.9620	0.000	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]N[5]H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]N[5]H)(CCHH)	H(CCHO)	110.0255	0.015	2	110.0255	0.000	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]O[5]C)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]O[5]C)(CCHH)	H(CCHO)	109.9050	0.047	2	109.9050	0.002	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]O[5]H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]O[5]H)(CCHH)	H(CCHO)	109.9988	0.115	4	109.9988	0.013	4	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5]2H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5]2H)(CCHH)	H(CCHO)	110.0676	0.187	8	110.0676	0.035	8	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5]2Pt)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5]2Pt)(CCHH)	H(CCHO)	110.1340	0.044	2	110.1340	0.002	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5]2Rh)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5]2Rh)(CCHH)	H(CCHO)	109.1260	0.813	2	109.1260	0.661	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5]N[5]C)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5]N[5]C)(CCHH)	H(CCHO)	110.0934	0.022	5	110.0934	0.000	5	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5]N[5]H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5]N[5]H)(CCHH)	H(CCHO)	109.9515	0.037	4	109.9515	0.001	4	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	H(CCHO)	109.8193	1.533	27	109.8193	2.350	27	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]C[6a]C[5]N[5])(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]C[6a]C[5]N[5])(CCHH)	H(CCHO)	109.9715	0.050	2	109.9715	0.003	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]N[5,6]C[5]H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]N[5,6]C[5]H)(CCHH)	H(CCHO)	110.2250	0.006	2	110.2250	0.000	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)(H)2	O(C[5]N[5]P[5]H)(CCHH)	H(CCHO)	C(OC[5])(CH3)(H)2	O(C[5]N[5]P[5]H)(CCHH)	H(CCHO)	110.1453	0.046	4	110.1453	0.002	4	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CHHN)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	H(CCHO)	C(OC[5])(CHHN)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	H(CCHO)	109.4650	0.017	2	109.4650	0.000	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CHHO)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	H(CCHO)	C(OC[5])(CHHO)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	H(CCHO)	108.6835	0.011	2	108.6835	0.000	2	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CHHO)(H)2	O(C[5]C[5]2C)(CCHH)	H(CCHO)	C(OC[5])(CHHO)(H)2	O(C[5]C[5]2C)(CCHH)	H(CCHO)	110.2163	0.017	3	110.2163	0.000	3	109.7541	1.235	154	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(CCHO)(H)2	O(C[6,6]C[6,6]C[6]2)(CCHH)	H(CCHO)	C(OC[6,6])(CCHO)(H)2	O(C[6,6]C[6,6]C[6]2)(CCHH)	H(CCHO)	109.8365	0.045	2	109.8365	0.002	2	109.7683	0.261	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(CClHH)(H)2	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	H(CCHO)	C(OC[6,6])(CClHH)(H)2	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	H(CCHO)	109.8925	0.005	2	109.8925	0.000	2	109.7683	0.261	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	H(CCHO)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	H(CCHO)	109.6444	0.328	5	109.6444	0.107	5	109.7683	0.261	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	H(CCHO)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	H(CCHO)	109.9705	0.035	2	109.9705	0.001	2	109.7683	0.261	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	H(CCHO)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	H(CCHO)	109.7360	0.017	2	109.7360	0.000	2	109.7683	0.261	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	H(CCHO)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	H(CCHO)	109.1930	0.020	2	109.1930	0.000	2	109.7683	0.261	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[6,6]2O)(CCHH)	H(CCHO)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[6,6]2O)(CCHH)	H(CCHO)	109.9058	0.646	14	109.9058	0.418	14	109.7683	0.261	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[6,6]O[6]2)(CCHH)	H(CCHO)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[6,6]O[6]2)(CCHH)	H(CCHO)	109.3280	0.682	2	109.3280	0.465	2	109.7683	0.261	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCCH)(H)2	O(C[6]C[6,6a]C[6]H)(CCHH)	H(CCHO)	C(OC[6])(CCCH)(H)2	O(C[6]C[6,6a]C[6]H)(CCHH)	H(CCHO)	109.6905	0.025	2	109.6905	0.001	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CCCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.7650	0.000	1	109.7650	0.000	1	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6a]2C[6a])(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6a]2C[6a])(CCHH)	H(CCHO)	111.0540	0.976	2	111.0540	0.952	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	H(CCHO)	109.3450	0.000	1	109.3450	0.000	1	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	H(CCHO)	110.2625	0.253	8	110.2625	0.064	8	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	109.9990	0.178	8	109.9990	0.032	8	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6]2Ru)(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]2Ru)(CCHH)	H(CCHO)	110.2360	0.056	4	110.2360	0.003	4	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]C)(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]C)(CCHH)	H(CCHO)	109.3845	0.006	2	109.3845	0.000	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.6240	0.602	20	109.6240	0.362	20	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHO)(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	C(OC[6])(CCHO)(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	109.7560	0.184	2	109.7560	0.034	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CCHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	110.2220	0.027	2	110.2220	0.001	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCo3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CCo3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	110.1960	0.289	4	110.1960	0.084	4	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CF3)(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	C(OC[6])(CF3)(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	109.6868	0.234	4	109.6868	0.055	4	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CF3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	H(CCHO)	C(OC[6])(CF3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	H(CCHO)	110.2645	0.040	2	110.2645	0.002	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	H(CCHO)	109.5785	0.006	2	109.5785	0.000	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	H(CCHO)	110.3306	2.894	8	110.3306	8.373	8	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6a]O[6])(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6a]O[6])(CCHH)	H(CCHO)	109.0785	0.023	2	109.0785	0.001	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]O[6]C)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]O[6]C)(CCHH)	H(CCHO)	109.6280	0.397	10	109.6280	0.158	10	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	H(CCHO)	108.8100	0.116	2	108.8100	0.013	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[5a,6]C[5,6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[5a,6]C[5,6]H)(CCHH)	H(CCHO)	110.0940	0.016	2	110.0940	0.000	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]C[6]Cr)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]C[6]Cr)(CCHH)	H(CCHO)	110.2310	0.025	2	110.2310	0.001	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	H(CCHO)	110.1688	0.208	12	110.1688	0.043	12	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]O[6]H)(CCHH)	H(CCHO)	110.0675	0.026	2	110.0675	0.001	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6,6a]C[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6a]C[6]H)(CCHH)	H(CCHO)	109.5917	0.294	4	109.5917	0.086	4	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	108.5283	4.737	23	108.5283	22.440	23	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	110.0935	0.196	13	110.0935	0.039	13	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]2Ru)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2Ru)(CCHH)	H(CCHO)	110.2606	0.226	10	110.2606	0.051	10	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	H(CCHO)	109.0791	0.740	14	109.0791	0.547	14	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]C)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]C)(CCHH)	H(CCHO)	109.9821	0.416	9	109.9821	0.173	9	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.6392	1.277	52	109.6392	1.632	52	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]N)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]N)(CCHH)	H(CCHO)	109.7390	0.017	2	109.7390	0.000	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6]P[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6]P[6]H)(CCHH)	H(CCHO)	109.9295	0.046	2	109.9295	0.002	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	H(CCHO)	110.2880	0.052	2	110.2880	0.003	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]C[6a]C[6]O[6])(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]C[6a]C[6]O[6])(CCHH)	H(CCHO)	109.5435	0.019	2	109.5435	0.000	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]N[5,6]C[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]N[5,6]C[6]H)(CCHH)	H(CCHO)	109.7260	0.061	2	109.7260	0.004	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]N[5a,6]C[6]H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]N[5a,6]C[6]H)(CCHH)	H(CCHO)	110.0455	0.049	4	110.0455	0.002	4	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(H)2	O(C[6]O[6]2H)(CCHH)	H(CCHO)	C(OC[6])(CH3)(H)2	O(C[6]O[6]2H)(CCHH)	H(CCHO)	106.8700	0.024	2	106.8700	0.001	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHN)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CHHN)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.3468	0.202	4	109.3468	0.041	4	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	H(CCHO)	109.8150	0.016	2	109.8150	0.000	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	H(CCHO)	109.3430	0.000	1	109.3430	0.000	1	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2C)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2C)(CCHH)	H(CCHO)	110.1175	0.026	2	110.1175	0.001	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2Co)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2Co)(CCHH)	H(CCHO)	110.1007	0.094	7	110.1007	0.009	7	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	109.4447	1.458	113	109.4447	2.125	113	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	109.2435	0.005	2	109.2435	0.000	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2Ru)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2Ru)(CCHH)	H(CCHO)	110.0664	0.548	14	110.0664	0.300	14	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6]N[6]H)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]N[6]H)(CCHH)	H(CCHO)	110.0620	0.013	2	110.0620	0.000	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.1710	0.457	4	109.1710	0.209	4	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHO)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	H(CCHO)	C(OC[6])(CHHO)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	H(CCHO)	110.3385	0.174	4	110.3385	0.030	4	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHP)(H)2	O(C[6]C[6,6]C[6]Rh)(CCHH)	H(CCHO)	C(OC[6])(CHHP)(H)2	O(C[6]C[6,6]C[6]Rh)(CCHH)	H(CCHO)	109.6075	0.030	2	109.6075	0.001	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHS)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(OC[6])(CHHS)(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	110.2415	0.005	2	110.2415	0.000	2	109.6344	2.464	404	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	Ga[4]-4:C-4:	C-4:	C(OGa[4])(CHHN)(H)2	O(Ga[4]O[4]2O)(CCHH)	H(CCHO)	C(OGa[4])(CHHN)(H)2	O(Ga[4]O[4]2O)(CCHH)	H(CCHO)	110.6153	1.582	6	110.6153	2.502	6	110.6153	2.502	6	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[4]-4:C-4:	C-4:	C(OP[4])(CC3)(H)2	O(P[4]N[4]2S)(CCHH)	H(CCHO)	C(OP[4])(CC3)(H)2	O(P[4]N[4]2S)(CCHH)	H(CCHO)	109.7275	0.170	15	109.7275	0.029	15	109.8377	0.120	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[4]-4:C-4:	C-4:	C(OP[4])(CHHN)(H)2	O(P[4]N[4]2Se)(CCHH)	H(CCHO)	C(OP[4])(CHHN)(H)2	O(P[4]N[4]2Se)(CCHH)	H(CCHO)	109.3380	0.101	4	109.3380	0.010	4	109.8377	0.120	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[4]-4:C-4:	C-4:	C(OP[4])(CHHO)(H)2	O(P[4]N[4]2S)(CCHH)	H(CCHO)	C(OP[4])(CHHO)(H)2	O(P[4]N[4]2S)(CCHH)	H(CCHO)	110.1422	0.280	12	110.1422	0.078	12	109.8377	0.120	31	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(CH3)(H)2	O(P[5]C[5,6a]C[5]O)(CCHH)	H(CCHO)	C(OP[5])(CH3)(H)2	O(P[5]C[5,6a]C[5]O)(CCHH)	H(CCHO)	109.8840	0.081	2	109.8840	0.006	2	109.5951	0.051	8	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(CH3)(H)2	O(P[5]C[5,6a]N[5]O)(CCHH)	H(CCHO)	C(OP[5])(CH3)(H)2	O(P[5]C[5,6a]N[5]O)(CCHH)	H(CCHO)	109.3555	0.018	2	109.3555	0.000	2	109.5951	0.051	8	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(CH3)(H)2	O(P[5]C[5]O[5]O)(CCHH)	H(CCHO)	C(OP[5])(CH3)(H)2	O(P[5]C[5]O[5]O)(CCHH)	H(CCHO)	109.4445	0.015	2	109.4445	0.000	2	109.5951	0.051	8	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(CH3)(H)2	O(P[5]N[5,6]C[5]O)(CCHH)	H(CCHO)	C(OP[5])(CH3)(H)2	O(P[5]N[5,6]C[5]O)(CCHH)	H(CCHO)	109.6965	0.057	2	109.6965	0.003	2	109.5951	0.051	8	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6,6]-4:C-4:	C-4:	C(OP[6,6])(CF3)(H)2	O(P[6,6]C[3x6]2Pt)(CCHH)	H(CCHO)	C(OP[6,6])(CF3)(H)2	O(P[6,6]C[3x6]2Pt)(CCHH)	H(CCHO)	109.9393	0.495	4	109.9393	0.245	4	109.9393	0.245	4	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CC3)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	C(OP[6])(CC3)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	108.9448	0.218	24	108.9448	0.048	24	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCCH)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	C(OP[6])(CCCH)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	101.5616	2.073	4	101.5616	4.299	4	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCFF)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	C(OP[6])(CCFF)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	109.7953	0.244	30	109.7953	0.060	30	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCFF)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	C(OP[6])(CCFF)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	109.8290	0.188	26	109.8290	0.035	26	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCHH)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	C(OP[6])(CCHH)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	109.6335	0.493	16	109.6335	0.243	16	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCHH)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	C(OP[6])(CCHH)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	109.4144	0.401	19	109.4144	0.161	19	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCHH)(H)2	O(P[6]O[6]2O)(CCHH)	H(CCHO)	C(OP[6])(CCHH)(H)2	O(P[6]O[6]2O)(CCHH)	H(CCHO)	108.2130	1.167	2	108.2130	1.361	2	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CF3)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	C(OP[6])(CF3)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	110.1110	0.213	8	110.1110	0.046	8	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CH3)(H)2	O(P[6]C[6,6a]N[6]O)(CCHH)	H(CCHO)	C(OP[6])(CH3)(H)2	O(P[6]C[6,6a]N[6]O)(CCHH)	H(CCHO)	109.5720	0.000	1	109.5720	0.000	1	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CH3)(H)2	O(P[6]C[6,6a]O[6]O)(CCHH)	H(CCHO)	C(OP[6])(CH3)(H)2	O(P[6]C[6,6a]O[6]O)(CCHH)	H(CCHO)	108.4042	1.883	4	108.4042	3.546	4	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CH3)(H)2	O(P[6]C[6]2O)(CCHH)	H(CCHO)	C(OP[6])(CH3)(H)2	O(P[6]C[6]2O)(CCHH)	H(CCHO)	109.7994	0.177	12	109.7994	0.031	12	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CH3)(H)2	O(P[6]C[6]O[6]B)(CCHH)	H(CCHO)	C(OP[6])(CH3)(H)2	O(P[6]C[6]O[6]B)(CCHH)	H(CCHO)	109.7595	0.011	2	109.7595	0.000	2	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CH3)(H)2	O(P[6]C[6]O[6]O)(CCHH)	H(CCHO)	C(OP[6])(CH3)(H)2	O(P[6]C[6]O[6]O)(CCHH)	H(CCHO)	109.9252	0.363	6	109.9252	0.132	6	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CH3)(H)2	O(P[6]N[6]2N)(CCHH)	H(CCHO)	C(OP[6])(CH3)(H)2	O(P[6]N[6]2N)(CCHH)	H(CCHO)	110.0075	0.047	2	110.0075	0.002	2	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CHHN)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	C(OP[6])(CHHN)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	108.5060	0.064	4	108.5060	0.004	4	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	H(CCHO)	109.8177	0.420	31	109.8177	0.176	31	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2N)(CCHH)	H(CCHO)	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2N)(CCHH)	H(CCHO)	109.7255	0.327	10	109.7255	0.107	10	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2O)(CCHH)	H(CCHO)	109.6114	0.515	39	109.6114	0.265	39	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CHHO)(H)2	O(P[6]N[6]3)(CCHH)	H(CCHO)	C(OP[6])(CHHO)(H)2	O(P[6]N[6]3)(CCHH)	H(CCHO)	109.9310	0.008	2	109.9310	0.000	2	109.4664	1.412	242	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:C-4:H-1:H-1:	Si[5]-4:C-4:	C-4:	C(OSi[5])(CHHN)(H)2	O(Si[5]C[5]2O)(CCHH)	H(CCHO)	C(OSi[5])(CHHN)(H)2	O(Si[5]C[5]2O)(CCHH)	H(CCHO)	110.0408	0.056	4	110.0408	0.003	4	110.0408	0.003	4	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:P-4:H-1:H-1:	B[6,6]-4:C-4:	C-4:	C(OB[6,6])(PC3)(H)2	O(B[6,6]C[6,6]2O)(CHHP)	H(CHOP)	C(OB[6,6])(PC3)(H)2	O(B[6,6]C[6,6]2O)(CHHP)	H(CHOP)	109.4380	0.007	2	109.4380	0.000	2	109.4380	0.000	2	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	4:4:	4:	O-2:P-4:H-1:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(PCCS)(H)2	O(P[6]N[6]2F)(CHHP)	H(CHOP)	C(OP[6])(PCCS)(H)2	O(P[6]N[6]2F)(CHHP)	H(CHOP)	108.3915	0.161	4	108.3915	0.026	4	108.3915	0.026	4	109.6348	1.657	991	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	5:4:	4:	O-2:C-4:H-1:H-1:	B[3,3,5,4x6]-5:C-4:	C-4:	C(OB[3,3,5,4x6])(CH3)(H)2	O(B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ru)(CCHH)	H(CCHO)	C(OB[3,3,5,4x6])(CH3)(H)2	O(B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ru)(CCHH)	H(CCHO)	108.7122	1.291	4	108.7122	1.666	4	108.7122	1.666	4	109.5879	0.531	22	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	5:4:	4:	O-2:C-4:H-1:H-1:	C[3,3,5,5,6,6]-5:C-4:	C-4:	C(OC[3,3,5,5,6,6])(CCo2C)(H)2	O(C[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(CCHH)	H(CCHO)	C(OC[3,3,5,5,6,6])(CCo2C)(H)2	O(C[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(CCHH)	H(CCHO)	110.3825	0.035	2	110.3825	0.001	2	110.3825	0.001	2	109.5879	0.531	22	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	5:4:	4:	O-2:C-4:H-1:H-1:	Ge[5,3x6]-5:C-4:	C-4:	C(OGe[5,3x6])(CH3)(H)2	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	H(CCHO)	C(OGe[5,3x6])(CH3)(H)2	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	H(CCHO)	110.3250	0.007	2	110.3250	0.000	2	110.3250	0.000	2	109.5879	0.531	22	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	5:4:	4:	O-2:C-4:H-1:H-1:	P[4,5,5]-5:C-4:	C-4:	C(OP[4,5,5])(CCHH)(H)2	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	H(CCHO)	C(OP[4,5,5])(CCHH)(H)2	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	H(CCHO)	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.5879	0.531	22	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	5:4:	4:	O-2:C-4:H-1:H-1:	P[4,5]-5:C-4:	C-4:	C(OP[4,5])(CC3)(H)2	O(P[4,5]N[4]2O[5]2)(CCHH)	H(CCHO)	C(OP[4,5])(CC3)(H)2	O(P[4,5]N[4]2O[5]2)(CCHH)	H(CCHO)	109.6220	0.007	2	109.6220	0.000	2	109.6220	0.000	2	109.5879	0.531	22	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	5:4:	4:	O-2:C-4:H-1:H-1:	P[5]-5:C-4:	C-4:	C(OP[5])(CF3)(H)2	O(P[5]O[5]2OO)(CCHH)	H(CCHO)	C(OP[5])(CF3)(H)2	O(P[5]O[5]2OO)(CCHH)	H(CCHO)	109.5969	0.220	10	109.5969	0.048	10	109.5969	0.048	10	109.5879	0.531	22	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	5:4:	4:	O-2:N-4:H-1:H-1:	C[3,3,5,5,6,6]-5:C-4:	C-4:	C(OC[3,3,5,5,6,6])(NFeCC)(H)2	O(C[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(CHHN)	H(CHNO)	C(OC[3,3,5,5,6,6])(NFeCC)(H)2	O(C[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(CHHN)	H(CHNO)	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	109.5879	0.531	22	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	6:4:	4:	O-2:C-4:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:	C-4:	C(OB[3x3,3x5,12x6])(CCHH)(H)2	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Pt)(CCHH)	H(CCHO)	C(OB[3x3,3x5,12x6])(CCHH)(H)2	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Pt)(CCHH)	H(CCHO)	110.3940	0.006	2	110.3940	0.000	2	110.1740	0.031	6	109.2272	1.425	18	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	6:4:	4:	O-2:C-4:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:	C-4:	C(OB[3x3,3x5,12x6])(CHHO)(H)2	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCHH)	H(CCHO)	C(OB[3x3,3x5,12x6])(CHHO)(H)2	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCHH)	H(CCHO)	110.0640	0.059	4	110.0640	0.003	4	110.1740	0.031	6	109.2272	1.425	18	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	6:4:	4:	O-2:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:	C-4:	C(OB[5x3,5x5,20x6])(CCHH)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	H(CCHO)	C(OB[5x3,5x5,20x6])(CCHH)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	H(CCHO)	109.3170	0.320	4	109.3170	0.103	4	109.5357	0.106	8	109.2272	1.425	18	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	6:4:	4:	O-2:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:	C-4:	C(OB[5x3,5x5,20x6])(CH3)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCHH)	H(CCHO)	C(OB[5x3,5x5,20x6])(CH3)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCHH)	H(CCHO)	109.7545	0.130	4	109.7545	0.017	4	109.5357	0.106	8	109.2272	1.425	18	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	6:4:	4:	O-2:C-4:H-1:H-1:	Nb[6]-6:C-4:	C-4:	C(ONb[6])(CH3)(H)2	O(Nb[6]N[6]O[6]Cl2O)(CCHH)	H(CCHO)	C(ONb[6])(CH3)(H)2	O(Nb[6]N[6]O[6]Cl2O)(CCHH)	H(CCHO)	107.1900	0.445	4	107.1900	0.198	4	107.1900	0.198	4	109.2272	1.425	18	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:1:1:	7:4:	4:	O-2:C-4:H-1:H-1:	Nb[3,4,4,6]-7:C-4:	C-4:	C(ONb[3,4,4,6])(CH3)(H)2	O(Nb[3,4,4,6]Nb[3,4,4,6]N[4,6]O[3]O[4]O[6]O)(CCHH)	H(CCHO)	C(ONb[3,4,4,6])(CH3)(H)2	O(Nb[3,4,4,6]Nb[3,4,4,6]N[4,6]O[3]O[4]O[6]O)(CCHH)	H(CCHO)	109.3007	0.323	8	109.3007	0.105	8	109.3007	0.105	8	109.3007	0.105	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:2:1:	3:4:	4:	O-2:C-4:O-2:H-1:	N[6]-3:C-4:	C-4:	C(ON[6])(CCl3)(OH)(H)	O(N[6]C[6]2)(CCHO)	H(CCOO)	C(ON[6])(CCl3)(OH)(H)	O(N[6]C[6]2)(CCHO)	H(CCOO)	110.6070	0.020	2	110.6070	0.000	2	110.6070	0.000	2	110.6070	0.000	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:2:1:	4:1:	4:	O-2:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(ON[6])(CCl3)(OH)(H)	O(CCHO)(H)	H(CCOO)	C(ON[6])(CCl3)(OH)(H)	O(CCHO)(H)	H(CCOO)	110.6605	0.032	2	110.6605	0.001	2	110.6605	0.001	2	110.6605	0.001	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:2:1:	4:4:	4:	O-2:C-4:C-2:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(CC)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	C(OC[6])(CCHH)(CC)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	109.1454	2.434	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:2:1:	4:4:	4:	O-2:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(OC[6])(CCCO)(OC)(H)	O(CCHO)(CH3)	H(CCOO)	C(OC[6])(CCCO)(OC)(H)	O(CCHO)(CH3)	H(CCOO)	109.1155	1.723	2	109.1155	2.969	2	109.0618	2.994	4	109.1454	2.434	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:2:1:	4:4:	4:	O-2:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(OC[6a])(CCCH)(OC)(H)	O(CCHH)(CCHO)	H(CCOO)	C(OC[6a])(CCCH)(OC)(H)	O(CCHH)(CCHO)	H(CCOO)	107.2760	0.000	1	107.2760	0.000	1	109.0618	2.994	4	109.1454	2.434	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:2:1:	4:4:	4:	O-2:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(OC[6a])(CCHH)(OC)(H)	O(CC[6a]CC)(CCHO)	H(CCOO)	C(OC[6a])(CCHH)(OC)(H)	O(CC[6a]CC)(CCHO)	H(CCOO)	110.7400	0.000	1	110.7400	0.000	1	109.0618	2.994	4	109.1454	2.434	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:2:1:	4:4:	4:	O-2:C-4:O-2:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCCO)(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	H(CCOO)	C(OC[6])(CCCO)(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	H(CCOO)	109.1200	1.735	2	109.1200	3.011	2	109.1200	3.011	2	109.1454	2.434	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:2:1:	4:4:	4:	S-2:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(SC[6a])(CCHO)(OC)(H)	O(CCHS)(CH3)	H(CCOS)	C(SC[6a])(CCHO)(OC)(H)	O(CCHS)(CH3)	H(CCOS)	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	109.1454	2.434	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:3:1:	3:4:	4:	O-2:C-4:C-3:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(CCHH)(CNO)(H)	O(N[5]C[5]2)(CCCH)	H(CCCO)	C(ON[5])(CCHH)(CNO)(H)	O(N[5]C[5]2)(CCCH)	H(CCCO)	110.4870	0.000	1	110.4870	0.000	1	109.4270	2.247	2	109.4270	2.247	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:3:1:	3:4:	4:	O-2:C-4:C-3:H-1:	N[5]-3:C-4:	C-4:	C(ON[5])(CH3)(COO)(H)	O(N[5]C[5]2)(CCCH)	H(CCCO)	C(ON[5])(CH3)(COO)(H)	O(N[5]C[5]2)(CCCH)	H(CCCO)	108.3670	0.000	1	108.3670	0.000	1	109.4270	2.247	2	109.4270	2.247	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:3:1:	4:4:	4:	O-2:C-4:C-3:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(CH3)(CCH)(H)	O(C[4]C[6a]C[4]N[4])(CCCH)	H(CCCO)	C(OC[4])(CH3)(CCH)(H)	O(C[4]C[6a]C[4]N[4])(CCCH)	H(CCCO)	109.4860	0.000	1	109.4860	0.000	1	112.2310	15.070	2	110.0498	3.689	9	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:3:1:	4:4:	4:	O-2:C-4:C-3:H-1:	C[4]-4:C-4:	C-4:	C(OC[4])(CH3)(CHH)(H)	O(C[4]C[6a]C[4]O[4])(CCCH)	H(CCCO)	C(OC[4])(CH3)(CHH)(H)	O(C[4]C[6a]C[4]O[4])(CCCH)	H(CCCO)	114.9760	0.000	1	114.9760	0.000	1	112.2310	15.070	2	110.0498	3.689	9	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:3:1:	4:4:	4:	O-2:C-4:C-3:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(CCH)(H)	O(C[6]C[6]N[6]C)(CCCH)	H(CCCO)	C(OC[6])(CCHH)(CCH)(H)	O(C[6]C[6]N[6]C)(CCCH)	H(CCCO)	108.5720	0.000	1	108.5720	0.000	1	109.4266	0.368	7	110.0498	3.689	9	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:3:1:	4:4:	4:	O-2:C-4:C-3:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHO)(CCH)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	C(OC[6])(CCHO)(CCH)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	108.5370	0.000	1	108.5370	0.000	1	109.4266	0.368	7	110.0498	3.689	9	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:3:1:	4:4:	4:	O-2:C-4:C-3:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(CNO)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	C(OC[6])(CH3)(CNO)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	109.7968	0.149	4	109.7968	0.022	4	109.4266	0.368	7	110.0498	3.689	9	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:3:1:	4:4:	4:	O-2:C-4:C-3:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)(COO)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	C(OC[6])(CH3)(COO)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	109.6900	0.000	1	109.6900	0.000	1	109.4266	0.368	7	110.0498	3.689	9	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	N[6]-3:C-4:	C-4:	C(ON[6])(CHHO)2(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	C(ON[6])(CHHO)2(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	109.4133	0.066	4	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	3:4:	4:	O-2:C-4:C-4:H-1:	P[5]-3:C-4:	C-4:	C(OP[5])(CCHH)(CH3)(H)	O(P[5]C[5]2)(CCCH)	H(CCCO)	C(OP[5])(CCHH)(CH3)(H)	O(P[5]C[5]2)(CCCH)	H(CCCO)	109.5257	0.153	3	109.5257	0.023	3	109.5257	0.023	3	109.4133	0.066	4	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	B[3,3,5,6]-4:C-4:	C-4:	C(OB[3,3,5,6])(CH3)2(H)	O(B[3,3,5,6]B[4x3,3x5,6,6]B[3,3,5,6]B[5x3,5,6])(CCCH)	H(CCCO)	C(OB[3,3,5,6])(CH3)2(H)	O(B[3,3,5,6]B[4x3,3x5,6,6]B[3,3,5,6]B[5x3,5,6])(CCCH)	H(CCCO)	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	B[6]-4:C-4:	C-4:	C(OB[6])(CH3)2(H)	O(B[6]N[5a,6]2O)(CCCH)	H(CCCO)	C(OB[6])(CH3)2(H)	O(B[6]N[5a,6]2O)(CCCH)	H(CCCO)	109.0700	0.280	2	109.0700	0.078	2	109.0700	0.078	2	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[4,6]-4:C-4:	C-4:	C(OC[4,6])(CH3)2(H)	O(C[4,6]C[4,5]C[4,6]C[6])(CCCH)	H(CCCO)	C(OC[4,6])(CH3)2(H)	O(C[4,6]C[4,5]C[4,6]C[6])(CCCH)	H(CCCO)	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[5,6]-4:C-4:	C-4:	C(OC[5,6])(CF3)2(H)	O(C[5,6]C[5,6]2O[5])(CCCH)	H(CCCO)	C(OC[5,6])(CF3)2(H)	O(C[5,6]C[5,6]2O[5])(CCCH)	H(CCCO)	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(CCHO)(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	C(OC[5])(CCHH)(CCHO)(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	103.3760	0.000	1	103.3760	0.000	1	108.7617	3.655	11	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHH)(CHHO)(H)	O(C[5]C[5,6a]C[5]C)(CCCH)	H(CCCO)	C(OC[5])(CCHH)(CHHO)(H)	O(C[5]C[5,6a]C[5]C)(CCCH)	H(CCCO)	110.8730	0.000	1	110.8730	0.000	1	108.7617	3.655	11	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CCHO)(CH3)(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	C(OC[5])(CCHO)(CH3)(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	109.1790	0.000	1	109.1790	0.000	1	108.7617	3.655	11	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CF3)2(H)	O(C[5]C[5,6a]C[5]H)(CCCH)	H(CCCO)	C(OC[5])(CF3)2(H)	O(C[5]C[5,6a]C[5]H)(CCCH)	H(CCCO)	109.0570	0.000	1	109.0570	0.000	1	108.7617	3.655	11	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CF3)2(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	C(OC[5])(CF3)2(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	108.5580	0.000	1	108.5580	0.000	1	108.7617	3.655	11	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CF3)2(H)	O(C[5]C[5]N[5]H)(CCCH)	H(CCCO)	C(OC[5])(CF3)2(H)	O(C[5]C[5]N[5]H)(CCCH)	H(CCCO)	108.8383	0.541	3	108.8383	0.293	3	108.7617	3.655	11	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)2(H)	O(C[5]C[5]2C)(CCCH)	H(CCCO)	C(OC[5])(CH3)2(H)	O(C[5]C[5]2C)(CCCH)	H(CCCO)	109.4680	0.000	1	109.4680	0.000	1	108.7617	3.655	11	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[5]-4:C-4:	C-4:	C(OC[5])(CH3)2(H)	O(C[5]N[5,6]P[5]H)(CCCH)	H(CCCO)	C(OC[5])(CH3)2(H)	O(C[5]N[5,6]P[5]H)(CCCH)	H(CCCO)	109.6765	0.067	2	109.6765	0.005	2	108.7617	3.655	11	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCCH)(CCCO)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	C(OC[6])(CCCH)(CCCO)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	108.5057	0.045	3	108.5057	0.002	3	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCCH)2(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	C(OC[6])(CCCH)2(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	109.7558	1.929	5	109.7558	3.722	5	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCCO)(CCHH)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	C(OC[6])(CCCO)(CCHH)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	107.9590	0.000	1	107.9590	0.000	1	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(CCHO)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	C(OC[6])(CCHH)(CCHO)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	108.1380	0.000	1	108.1380	0.000	1	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)(CH3)(H)	O(C[6]C[6a]C[6]O[6])(CCCH)	H(CCCO)	C(OC[6])(CCHH)(CH3)(H)	O(C[6]C[6a]C[6]O[6])(CCCH)	H(CCCO)	109.6085	0.330	6	109.6085	0.109	6	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHH)2(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	C(OC[6])(CCHH)2(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	108.4571	0.508	7	108.4571	0.259	7	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHO)(CH3)(H)	O(C[6]C[6,6]C[6]H)(CCCH)	H(CCCO)	C(OC[6])(CCHO)(CH3)(H)	O(C[6]C[6,6]C[6]H)(CCCH)	H(CCCO)	109.2150	0.000	1	109.2150	0.000	1	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHO)(CHHO)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	C(OC[6])(CCHO)(CHHO)(H)	O(C[6]C[6]2H)(CCCH)	H(CCCO)	109.9290	0.000	1	109.9290	0.000	1	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CCHO)(CHHO)(H)	O(C[6]N[6,6a]C[6]H)(CCCH)	H(CCCO)	C(OC[6])(CCHO)(CHHO)(H)	O(C[6]N[6,6a]C[6]H)(CCCH)	H(CCCO)	108.7970	0.000	1	108.7970	0.000	1	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CF3)2(H)	O(C[6]C[6]2C)(CCCH)	H(CCCO)	C(OC[6])(CF3)2(H)	O(C[6]C[6]2C)(CCCH)	H(CCCO)	109.5240	0.000	1	109.5240	0.000	1	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)2(H)	O(C[6]C[5a,6]O[6]H)(CCCH)	H(CCCO)	C(OC[6])(CH3)2(H)	O(C[6]C[5a,6]O[6]H)(CCCH)	H(CCCO)	109.6310	0.000	1	109.6310	0.000	1	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CH3)2(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	C(OC[6])(CH3)2(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	110.1343	1.375	4	110.1343	1.890	4	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	C[6]-4:C-4:	C-4:	C(OC[6])(CHHN)(CH3)(H)	O(C[6]C[6a]C[6]O[6])(CCCH)	H(CCCO)	C(OC[6])(CHHN)(CH3)(H)	O(C[6]C[6a]C[6]O[6])(CCCH)	H(CCCO)	109.7420	0.000	1	109.7420	0.000	1	109.2309	1.185	33	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	P[5]-4:C-4:	C-4:	C(OP[5])(CH3)2(H)	O(P[5]C[5,6a]P[5]Se)(CCCH)	H(CCCO)	C(OP[5])(CH3)2(H)	O(P[5]C[5,6a]P[5]Se)(CCCH)	H(CCCO)	109.3020	0.651	2	109.3020	0.423	2	109.3020	0.423	2	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	4:4:	4:	O-2:C-4:C-4:H-1:	P[6]-4:C-4:	C-4:	C(OP[6])(CCHH)(CHHO)(H)	O(P[6]O[6]2O)(CCCH)	H(CCCO)	C(OP[6])(CCHH)(CHHO)(H)	O(P[6]O[6]2O)(CCCH)	H(CCCO)	104.8390	0.000	1	104.8390	0.000	1	104.8390	0.000	1	109.0605	1.875	52	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	5:4:	4:	O-2:C-4:C-4:H-1:	Nb[6,6]-5:C-4:	C-4:	C(ONb[6,6])(CH3)2(H)	O(Nb[6,6]N[6,6]C[6]N[6]N)(CCCH)	H(CCCO)	C(ONb[6,6])(CH3)2(H)	O(Nb[6,6]N[6,6]C[6]N[6]N)(CCCH)	H(CCCO)	107.1445	2.616	2	107.1445	6.841	2	107.1445	6.841	2	107.1445	6.841	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	6:4:	4:	O-2:C-4:C-4:H-1:	Nb[6]-6:C-4:	C-4:	C(ONb[6])(CH3)2(H)	O(Nb[6]N[5,6]O[6]O3)(CCCH)	H(CCCO)	C(ONb[6])(CH3)2(H)	O(Nb[6]N[5,6]O[6]O3)(CCCH)	H(CCCO)	108.0288	0.872	4	108.0288	0.761	4	108.3547	0.571	8	108.3547	0.571	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	2:4:4:1:	6:4:	4:	O-2:C-4:C-4:H-1:	Nb[6]-6:C-4:	C-4:	C(ONb[6])(CH3)2(H)	O(Nb[6]N[6,6]O[6]O3)(CCCH)	H(CCCO)	C(ONb[6])(CH3)2(H)	O(Nb[6]N[6,6]O[6]O3)(CCCH)	H(CCCO)	108.6808	0.538	4	108.6808	0.289	4	108.3547	0.571	8	108.3547	0.571	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	2:4:	4:	C[6a]-3:O-2:H-1:H-1:	O-2:C-4:	C-4:	C(C[6a]C[6a]2)(OO)(H)2	O(OC[5,6,6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OO)(H)2	O(OC[5,6,6])(CC[6a]HH)	H(CC[6a]HO)	108.8265	0.111	2	108.8265	0.012	2	108.8265	0.012	2	107.0741	13.452	37	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	2:4:	4:	N-3:O-2:H-1:H-1:	O-2:C-4:	C-4:	C(NC[5a]C)(OO)(H)2	O(OC[6])(CHHN)	H(CHNO)	C(NC[5a]C)(OO)(H)2	O(OC[6])(CHHN)	H(CHNO)	108.6735	0.171	4	108.6735	0.029	4	106.9740	14.052	35	107.0741	13.452	37	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	2:4:	4:	N-3:O-2:H-1:H-1:	O-2:C-4:	C-4:	C(NC[6a]C)(OO)(H)2	O(OC[6,6])(CHHN)	H(CHNO)	C(NC[6a]C)(OO)(H)2	O(OC[6,6])(CHHN)	H(CHNO)	105.5345	4.454	16	105.5345	19.838	16	106.9740	14.052	35	107.0741	13.452	37	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	2:4:	4:	N-3:O-2:H-1:H-1:	O-2:C-4:	C-4:	C(NC[6a]C)(OO)(H)2	O(OC[6])(CHHN)	H(CHNO)	C(NC[6a]C)(OO)(H)2	O(OC[6])(CHHN)	H(CHNO)	108.0562	2.901	15	108.0562	8.417	15	106.9740	14.052	35	107.0741	13.452	37	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	N-3:C-4:	C-4:	C(CCC)(ON)(H)2	O(NC[6a]C)(CCHH)	H(CCHO)	C(CCC)(ON)(H)2	O(NC[6a]C)(CCHH)	H(CCHO)	105.0246	9.162	2	105.0246	83.941	2	105.0246	83.941	2	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C-3:O-2:H-1:H-1:	N[5]-3:C-4:	C-4:	C(CC[6a]O)(ON[5])(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	C(CC[6a]O)(ON[5])(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	110.2820	0.006	2	110.2820	0.000	2	110.2820	0.000	2	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[5a]-3:O-2:H-1:H-1:	N[6]-3:C-4:	C-4:	C(C[5a]N[5a]2)(ON[6])(H)2	O(N[6]C[6]2)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a]2)(ON[6])(H)2	O(N[6]C[6]2)(CC[5a]HH)	H(CC[5a]HO)	110.0880	0.125	4	110.0880	0.016	4	110.0880	0.016	4	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[4])(H)2	O(N[4]C[4]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[4])(H)2	O(N[4]C[4]2)(CC[6a]HH)	H(CC[6a]HO)	110.4550	0.038	2	110.4550	0.001	2	110.4550	0.001	2	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	O(N[5]B[5]P[5])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5])(H)2	O(N[5]B[5]P[5])(CC[6a]HH)	H(CC[6a]HO)	110.2614	0.268	8	110.2614	0.072	8	110.2660	0.172	38	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	O(N[5]C[5,5]C[5])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5])(H)2	O(N[5]C[5,5]C[5])(CC[6a]HH)	H(CC[6a]HO)	110.5489	0.150	8	110.5489	0.023	8	110.2660	0.172	38	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	O(N[5]C[5,6]C[5])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5])(H)2	O(N[5]C[5,6]C[5])(CC[6a]HH)	H(CC[6a]HO)	109.9614	0.928	5	109.9614	0.860	5	110.2660	0.172	38	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	O(N[5]C[5]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5])(H)2	O(N[5]C[5]2)(CC[6a]HH)	H(CC[6a]HO)	110.2246	0.265	17	110.2246	0.070	17	110.2660	0.172	38	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5a])(H)2	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5a])(H)2	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	H(CC[6a]HO)	110.4913	0.073	6	110.4913	0.005	6	110.4913	0.005	6	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	O(N[6]C[5,6]C[6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6])(H)2	O(N[6]C[5,6]C[6])(CC[6a]HH)	H(CC[6a]HO)	111.0270	0.033	2	111.0270	0.001	2	108.5948	30.715	30	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	O(N[6]C[6,6]C[6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6])(H)2	O(N[6]C[6,6]C[6])(CC[6a]HH)	H(CC[6a]HO)	110.1170	0.021	2	110.1170	0.000	2	108.5948	30.715	30	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	O(N[6]C[6]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6])(H)2	O(N[6]C[6]2)(CC[6a]HH)	H(CC[6a]HO)	108.2906	5.905	26	108.2906	34.874	26	108.5948	30.715	30	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6a])(H)2	O(N[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6a])(H)2	O(N[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]HO)	106.7127	2.117	6	106.7127	4.482	6	106.7127	4.482	6	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	3:4:	4:	C[6a]-3:O-2:H-1:H-1:	P[6,6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OP[6,6])(H)2	O(P[6,6]C[3x6]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP[6,6])(H)2	O(P[6,6]C[3x6]2)(CC[6a]HH)	H(CC[6a]HO)	109.9550	0.030	2	109.9550	0.001	2	109.9550	0.001	2	109.3800	12.599	92	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CBC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CBC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	110.2535	0.029	2	110.2535	0.001	2	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.2220	0.676	57	109.2220	0.458	57	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3704	1.270	41	109.3704	1.613	41	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCI)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCI)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4160	2.792	8	109.4160	7.794	8	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6803	0.128	4	109.6803	0.016	4	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1651	1.226	10	109.1651	1.503	10	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCP)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCP)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.2110	0.016	2	109.2110	0.000	2	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[3]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[3]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	110.4635	1.340	2	110.4635	1.796	2	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[4]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[4]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.5420	0.066	3	108.5420	0.004	3	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5,5]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5,5]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3860	0.020	2	109.3860	0.000	2	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1508	0.249	6	109.1508	0.062	6	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1369	0.358	15	109.1369	0.128	15	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5a]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5a]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6950	0.503	2	109.6950	0.253	2	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5a]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5a]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	112.5745	0.894	2	112.5745	0.800	2	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.7641	0.213	11	108.7641	0.045	11	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	110.1042	0.115	4	110.1042	0.013	4	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1110	1.514	13	109.1110	2.292	13	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0880	0.412	14	109.0880	0.170	14	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]N)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]N)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6530	0.038	2	109.6530	0.001	2	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.5073	0.155	6	109.5073	0.024	6	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CHH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CHH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	101.5125	0.040	2	101.5125	0.002	2	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CHN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CHN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	110.7018	1.899	4	110.7018	3.607	4	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CNO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CNO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	110.4952	2.200	4	110.4952	4.841	4	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[6]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[6]O)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6614	0.438	14	109.6614	0.192	14	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(COO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(COO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.8796	1.482	31	109.8796	2.197	31	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CSnC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CSnC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4669	0.612	12	109.4669	0.375	12	109.3702	1.746	273	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.1350	0.090	5	109.1350	0.008	5	109.3318	1.830	71	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]2)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.0366	0.955	11	109.0366	0.912	11	109.3318	1.830	71	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]N[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.4307	0.247	14	109.4307	0.061	14	109.3318	1.830	71	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]S[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]S[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.7526	0.523	18	109.7526	0.274	18	109.3318	1.830	71	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]N[5]2)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]N[5]2)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.4131	1.952	21	109.4131	3.812	21	109.3318	1.830	71	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]Se[5]C[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]Se[5]C[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	106.1125	3.453	2	106.1125	11.922	2	109.3318	1.830	71	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6]O[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]C[5a,6]O[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	110.0902	0.336	4	110.0902	0.113	4	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6]S[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]C[5a,6]S[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	109.5620	0.028	2	109.5620	0.001	2	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]C[5a,6a]C[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	109.0520	0.152	8	109.0520	0.023	8	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]2)(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	109.2940	0.018	2	109.2940	0.000	2	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	109.2947	1.201	49	109.2947	1.442	49	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	109.1823	0.662	28	109.1823	0.439	28	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]S[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]C[5a]S[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	109.1172	0.296	14	109.1172	0.088	14	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]N[5a]2)(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	109.7021	1.395	16	109.7021	1.947	16	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]N[5a]O[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]N[5a]O[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	109.9231	1.144	10	109.9231	1.308	10	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5a]N[5a]S[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	C(C[5a]N[5a]S[5a])(OH)(H)2	O(CC[5a]HH)(H)	H(CC[5a]HO)	108.9915	0.054	2	108.9915	0.003	2	109.3565	0.999	135	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6]-3:O-2:H-1:H-1:	C-4:D-1:	C-4:	C(C[6]C[5,6]C[6])(OD)(H)2	O(CC[6]HH)(D)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OD)(H)2	O(CC[6]HH)(D)	H(CC[6]HO)	107.8095	3.631	2	107.8095	13.184	2	108.9603	7.297	4	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6]-3:O-2:H-1:H-1:	C-4:D-1:	C-4:	C(C[6]C[6]2)(OD)(H)2	O(CC[6]HH)(D)	H(CC[6]HO)	C(C[6]C[6]2)(OD)(H)2	O(CC[6]HH)(D)	H(CC[6]HO)	110.1110	1.847	2	110.1110	3.411	2	108.9603	7.297	4	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6])(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.5025	0.281	6	109.5025	0.079	6	109.1178	0.767	213	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]O[6])(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]O[6])(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	105.6880	0.662	2	105.6880	0.438	2	109.1178	0.767	213	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6])(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6,6]C[6])(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.0699	0.852	25	109.0699	0.727	25	109.1178	0.767	213	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]2)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.1429	0.874	151	109.1429	0.764	151	109.1178	0.767	213	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6])(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]N[6])(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.1852	0.420	29	109.1852	0.176	29	109.1178	0.767	213	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6a]-3:O-2:Br-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	O(CC[6a]BrH)(H)	H(CC[6a]BrO)	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	O(CC[6a]BrH)(H)	H(CC[6a]BrO)	102.0480	0.000	1	102.0480	0.000	1	102.0480	0.000	1	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	108.2685	0.826	4	108.2685	0.682	4	109.1345	0.781	571	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	108.9093	0.052	4	108.9093	0.003	4	109.1345	0.781	571	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	108.8701	0.300	21	108.8701	0.090	21	109.1345	0.781	571	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	108.9107	0.771	26	108.9107	0.595	26	109.1345	0.781	571	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	109.1535	0.890	468	109.1535	0.792	468	109.1345	0.781	571	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	109.0385	0.748	30	109.0385	0.559	30	109.1345	0.781	571	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]O[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OH)(H)2	O(CC[6a]HH)(H)	H(CC[6a]HO)	109.6722	1.303	18	109.6722	1.699	18	109.1345	0.781	571	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	N-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(NCC)(OH)(H)2	O(CHHN)(H)	H(CHNO)	C(NCC)(OH)(H)2	O(CHHN)(H)	H(CHNO)	109.5935	1.036	2	109.5935	1.073	2	109.0648	0.418	6	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	N-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(NCH)(OH)(H)2	O(CHHN)(H)	H(CHNO)	C(NCH)(OH)(H)2	O(CHHN)(H)	H(CHNO)	109.1080	0.000	1	109.1080	0.000	1	109.0648	0.418	6	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	N-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(NC[5a]C[6a])(OH)(H)2	O(CHHN)(H)	H(CHNO)	C(NC[5a]C[6a])(OH)(H)2	O(CHHN)(H)	H(CHNO)	108.6980	0.159	3	108.6980	0.025	3	109.0648	0.418	6	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	N[5]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(N[5]C[5,5]C[5])(OH)(H)2	O(CN[5]HH)(H)	H(CN[5]HO)	C(N[5]C[5,5]C[5])(OH)(H)2	O(CN[5]HH)(H)	H(CN[5]HO)	109.2770	0.371	4	109.2770	0.137	4	109.3371	0.102	10	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	N[5]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(N[5]C[5]2)(OH)(H)2	O(CN[5]HH)(H)	H(CN[5]HO)	C(N[5]C[5]2)(OH)(H)2	O(CN[5]HH)(H)	H(CN[5]HO)	109.3772	0.310	6	109.3772	0.096	6	109.3371	0.102	10	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	O(CN[5a]HH)(H)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OH)(H)2	O(CN[5a]HH)(H)	H(CN[5a]HO)	109.1845	0.667	11	109.1845	0.445	11	109.2410	0.351	17	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	O(CN[5a]HH)(H)	H(CN[5a]HO)	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	O(CN[5a]HH)(H)	H(CN[5a]HO)	109.2635	0.009	2	109.2635	0.000	2	109.2410	0.351	17	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(OH)(H)2	O(CN[5a]HH)(H)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OH)(H)2	O(CN[5a]HH)(H)	H(CN[5a]HO)	109.7525	0.713	2	109.7525	0.509	2	109.2410	0.351	17	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(N[5a]C[5a]S[5a])(OH)(H)2	O(CN[5a]HH)(H)	H(CN[5a]HO)	C(N[5a]C[5a]S[5a])(OH)(H)2	O(CN[5a]HH)(H)	H(CN[5a]HO)	109.0180	0.016	2	109.0180	0.000	2	109.2410	0.351	17	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:1:	4:	P-3:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	108.9207	2.220	4	108.9207	4.926	4	108.9207	4.926	4	109.2108	1.118	1305	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:Ge-2:	C-4:	C(C[6a]C[6a]2)(OGe)(H)2	O(CC[6a]HH)(GeN)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OGe)(H)2	O(CC[6a]HH)(GeN)	H(CC[6a]HO)	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	107.5467	12.994	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:O-2:	C-4:	C(C[6a]C[6a]2)(OO)(H)2	O(CC[6a]HH)(OC)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OO)(H)2	O(CC[6a]HH)(OC)	H(CC[6a]HO)	104.9475	5.686	2	104.9475	32.329	2	108.1330	9.483	8	107.5467	12.994	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:O-2:	C-4:	C(C[6a]C[6a]2)(OO)(H)2	O(CC[6a]HH)(OCo)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OO)(H)2	O(CC[6a]HH)(OCo)	H(CC[6a]HO)	109.1948	1.183	6	109.1948	1.399	6	108.1330	9.483	8	107.5467	12.994	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:2:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:S-2:	C-4:	C(C[6a]C[6a]2)(OS)(H)2	O(CC[6a]HH)(SS)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OS)(H)2	O(CC[6a]HH)(SS)	H(CC[6a]HO)	109.5524	0.727	7	109.5524	0.528	7	109.5524	0.528	7	107.5467	12.994	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:2:	4:	N-3:O-2:H-1:H-1:	C-4:O-2:	C-4:	C(NC[6a]C)(OO)(H)2	O(CHHN)(OC)	H(CHNO)	C(NC[6a]C)(OO)(H)2	O(CHHN)(OC)	H(CHNO)	105.0176	4.551	8	105.0176	20.712	8	105.0176	20.712	8	107.5467	12.994	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCN)(ON)(H)2	O(CCHH)(NFeC)	H(CCHO)	C(CCN)(ON)(H)2	O(CCHH)(NFeC)	H(CCHO)	108.7834	0.456	8	108.7834	0.208	8	108.6385	0.255	35	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCN)(ON)(H)2	O(CCHH)(NNiC)	H(CCHO)	C(CCN)(ON)(H)2	O(CCHH)(NNiC)	H(CCHO)	108.4199	0.530	10	108.4199	0.281	10	108.6385	0.255	35	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCN)(ON)(H)2	O(CCHH)(NPdC)	H(CCHO)	C(CCN)(ON)(H)2	O(CCHH)(NPdC)	H(CCHO)	108.8687	0.488	4	108.8687	0.238	4	108.6385	0.255	35	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CNO)(ON)(H)2	O(CCHH)(NCH)	H(CCHO)	C(CNO)(ON)(H)2	O(CCHH)(NCH)	H(CCHO)	108.3369	0.059	8	108.3369	0.003	8	108.6385	0.255	35	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CNO)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	C(CNO)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	109.6920	0.010	2	109.6920	0.000	2	108.6385	0.255	35	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(COO)(ON)(H)2	O(CCHH)(NCH)	H(CCHO)	C(COO)(ON)(H)2	O(CCHH)(NCH)	H(CCHO)	108.8925	0.047	2	108.8925	0.002	2	108.6385	0.255	35	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(COO)(ON)(H)2	O(CCHH)(NPdC)	H(CCHO)	C(COO)(ON)(H)2	O(CCHH)(NPdC)	H(CCHO)	108.5430	0.000	1	108.5430	0.000	1	108.6385	0.255	35	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[5]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[5]N[5]2)(ON)(H)2	O(CC[5]HH)(NOO)	H(CC[5]HO)	C(C[5]N[5]2)(ON)(H)2	O(CC[5]HH)(NOO)	H(CC[5]HO)	110.6935	0.030	2	110.6935	0.001	2	110.6935	0.001	2	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[5a]C[5a]O[5a])(ON)(H)2	O(CC[5a]HH)(NOO)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(ON)(H)2	O(CC[5a]HH)(NOO)	H(CC[5a]HO)	109.1225	0.011	2	109.1225	0.000	2	109.7138	0.510	6	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[5a]N[5a]2)(ON)(H)2	O(CC[5a]HH)(NOO)	H(CC[5a]HO)	C(C[5a]N[5a]2)(ON)(H)2	O(CC[5a]HH)(NOO)	H(CC[5a]HO)	110.0095	0.707	4	110.0095	0.500	4	109.7138	0.510	6	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6]C[6]N[6])(ON)(H)2	O(CC[6]HH)(NOO)	H(CC[6]HO)	C(C[6]C[6]N[6])(ON)(H)2	O(CC[6]HH)(NOO)	H(CC[6]HO)	109.1115	0.025	2	109.1115	0.001	2	109.1068	0.024	17	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6]C[6]N[6])(ON)(H)2	O(CC[6]HH)(NPdC)	H(CC[6]HO)	C(C[6]C[6]N[6])(ON)(H)2	O(CC[6]HH)(NPdC)	H(CC[6]HO)	109.1061	0.164	15	109.1061	0.027	15	109.1068	0.024	17	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NCC)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NCC)	H(CC[6a]HO)	108.5435	1.860	10	108.5435	3.458	10	109.1084	2.862	69	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NCH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NCH)	H(CC[6a]HO)	108.9972	1.636	38	108.9972	2.676	38	109.1084	2.862	69	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NCO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NCO)	H(CC[6a]HO)	109.6508	0.837	5	109.6508	0.701	5	109.1084	2.862	69	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[4]C)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[4]C)	H(CC[6a]HO)	108.9540	0.016	2	108.9540	0.000	2	109.1084	2.862	69	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[5,6]H)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[5,6]H)	H(CC[6a]HO)	110.3210	0.016	2	110.3210	0.000	2	109.1084	2.862	69	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[5]C)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[5]C)	H(CC[6a]HO)	109.1997	3.131	6	109.1997	9.806	6	109.1084	2.862	69	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[5]H)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NC[5]H)	H(CC[6a]HO)	110.1665	0.029	4	110.1665	0.001	4	109.1084	2.862	69	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NPdC)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NPdC)	H(CC[6a]HO)	109.2400	0.021	2	109.2400	0.000	2	109.1084	2.862	69	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:S-3:	C-4:	C(C[6a]C[6a]2)(OS)(H)2	O(CC[6a]HH)(SOS)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OS)(H)2	O(CC[6a]HH)(SOS)	H(CC[6a]HO)	106.1695	1.111	4	106.1695	1.233	4	106.1695	1.233	4	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	O(CN[5a]HH)(NOO)	H(CN[5a]HO)	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	O(CN[5a]HH)(NOO)	H(CN[5a]HO)	106.6675	5.884	2	106.6675	34.620	2	108.8989	7.127	8	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	O(CN[5a]HH)(NOO)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	O(CN[5a]HH)(NOO)	H(CN[5a]HO)	109.2590	0.067	3	109.2590	0.004	3	108.8989	7.127	8	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(N[5a]C[5a]N[5a])(ON)(H)2	O(CN[5a]HH)(NOO)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(ON)(H)2	O(CN[5a]HH)(NOO)	H(CN[5a]HO)	110.0263	0.742	3	110.0263	0.550	3	108.8989	7.127	8	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:3:	4:	S-3:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(SPdC)(ON)(H)2	O(CHHS)(NPdC)	H(CHOS)	C(SPdC)(ON)(H)2	O(CHHS)(NPdC)	H(CHOS)	108.6675	0.029	2	108.6675	0.001	2	108.6675	0.001	2	108.9407	2.155	143	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCC)(OC)(H)2	O(CCCO)(CCHH)	H(CCHO)	C(CCC)(OC)(H)2	O(CCCO)(CCHH)	H(CCHO)	109.6141	0.149	7	109.6141	0.022	7	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCC)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CCC)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	108.3535	0.065	4	108.3535	0.004	4	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCC)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCC)(OC)(H)2	O(CCHH)2	H(CCHO)	109.3564	0.521	8	109.3564	0.272	8	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCC)(OC)(H)2	O(CC[6a]3)(CCHH)	H(CCHO)	C(CCC)(OC)(H)2	O(CC[6a]3)(CCHH)	H(CCHO)	109.5570	0.796	2	109.5570	0.634	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCC)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CCC)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.7850	0.000	1	109.7850	0.000	1	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCC)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	C(CCC)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	109.1517	0.611	6	109.1517	0.374	6	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCH)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	108.8680	0.031	4	108.8680	0.001	4	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCH)(OC)(H)2	O(CCHH)(CCHO)	H(CCHO)	C(CCH)(OC)(H)2	O(CCHH)(CCHO)	H(CCHO)	108.9878	1.027	4	108.9878	1.054	4	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.2881	1.846	62	109.2881	3.408	62	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[3]HH)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[3]HH)(CCHH)	H(CCHO)	109.4755	2.241	2	109.4755	5.021	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[5]C[6]H)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[5]C[6]H)(CCHH)	H(CCHO)	109.7722	0.618	4	109.7722	0.381	4	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	110.5690	0.049	2	110.5690	0.002	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[6a]2C[6])(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[6a]2C[6])(CCHH)	H(CCHO)	108.9950	0.014	2	108.9950	0.000	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	108.5725	0.023	2	108.5725	0.001	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	108.3774	2.115	8	108.3774	4.472	8	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCI)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CCI)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.9740	0.051	2	109.9740	0.003	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCO)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	C(CCO)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	108.1660	0.014	2	108.1660	0.000	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCO)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCO)(OC)(H)2	O(CCHH)2	H(CCHO)	108.8014	0.595	10	108.8014	0.354	10	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCO)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	C(CCO)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	109.5397	0.342	12	109.5397	0.117	12	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[4]H)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CC[4]H)(OC)(H)2	O(CCHH)2	H(CCHO)	109.5134	0.221	5	109.5134	0.049	5	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]H)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[5]H)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.5490	0.040	2	109.5490	0.002	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]H)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[5]H)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.0470	0.016	2	110.0470	0.000	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]O)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[5]O)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.1250	0.017	2	109.1250	0.000	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5a]C)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	C(CC[5a]C)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	109.1195	0.053	2	109.1195	0.003	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5a]H)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[5a]H)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	108.9165	0.022	2	108.9165	0.000	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]C)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6a]C)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.5920	0.959	2	109.5920	0.919	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]C)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CC[6a]C)(OC)(H)2	O(CCHH)2	H(CCHO)	108.7843	0.445	4	108.7843	0.198	4	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]C)(OC)(H)2	O(CC[5a]C[6a]H)(CCHH)	H(CCHO)	C(CC[6a]C)(OC)(H)2	O(CC[5a]C[6a]H)(CCHH)	H(CCHO)	109.2340	0.023	2	109.2340	0.001	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]C)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	C(CC[6a]C)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	108.9240	0.013	2	108.9240	0.000	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]C)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[6a]C)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.6920	0.000	1	109.6920	0.000	1	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]O)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6a]O)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.2815	0.870	2	110.2815	0.758	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CHH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.1380	0.249	2	109.1380	0.062	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CHH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.7378	2.458	18	109.7378	6.042	18	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHO)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CHO)(OC)(H)2	O(CCHH)2	H(CCHO)	108.4453	2.812	25	108.4453	7.907	25	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CNO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CNO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.3175	0.582	29	109.3175	0.339	29	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CNO)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CNO)(OC)(H)2	O(CCHH)2	H(CCHO)	109.2522	0.517	32	109.2522	0.267	32	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]N)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CN[5a]N)(OC)(H)2	O(CCHH)2	H(CCHO)	109.7390	0.007	2	109.7390	0.000	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(COO)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	C(COO)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	108.6480	0.058	2	108.6480	0.003	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(COO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(COO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	108.9375	0.486	4	108.9375	0.236	4	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(COO)(OC)(H)2	O(CCHH)2	H(CCHO)	C(COO)(OC)(H)2	O(CCHH)2	H(CCHO)	109.9132	1.267	48	109.9132	1.604	48	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(COO)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(COO)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	108.9380	0.732	20	108.9380	0.536	20	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(COO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(COO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.1295	0.042	2	109.1295	0.002	2	109.2839	2.060	356	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCH)(OP)(H)2	O(CCHH)(PCHW)	H(CCHO)	C(CCH)(OP)(H)2	O(CCHH)(PCHW)	H(CCHO)	109.7272	0.094	4	109.7272	0.009	4	110.5091	4.124	18	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(COO)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	C(COO)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	110.7324	2.269	14	110.7324	5.149	14	110.5091	4.124	18	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCH)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	C(CCH)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	105.2615	3.282	2	105.2615	10.769	2	105.2615	10.769	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CCC)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CCC)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	108.8745	0.134	4	108.8745	0.018	4	108.8745	0.018	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(CC[5]O)(OC[5])(H)2	O(C[5]C[5,5]O[5]O)(CCHH)	H(CCHO)	C(CC[5]O)(OC[5])(H)2	O(C[5]C[5,5]O[5]O)(CCHH)	H(CCHO)	107.8055	0.052	2	107.8055	0.003	2	107.8055	0.003	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[5a]C)(OC[6])(H)2	O(C[6]C[6a]C[6]2)(CCHH)	H(CCHO)	C(CC[5a]C)(OC[6])(H)2	O(C[6]C[6a]C[6]2)(CCHH)	H(CCHO)	109.3700	0.055	2	109.3700	0.003	2	109.2071	1.313	130	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[6]H)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	H(CCHO)	C(CC[6]H)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	H(CCHO)	109.1983	1.212	116	109.1983	1.469	116	109.2071	1.313	130	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	H(CCHO)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	H(CCHO)	109.2360	0.190	6	109.2360	0.036	6	109.2071	1.313	130	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6,6a]N[6]H)(CCHH)	H(CCHO)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6,6a]N[6]H)(CCHH)	H(CCHO)	109.4237	0.027	4	109.4237	0.001	4	109.2071	1.313	130	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.0345	0.009	2	109.0345	0.000	2	109.2071	1.313	130	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCH)(OP)(H)2	O(PCrCH)(CCHH)	H(CCHO)	C(CCH)(OP)(H)2	O(PCrCH)(CCHH)	H(CCHO)	109.5430	0.068	2	109.5430	0.005	2	109.5700	0.003	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCH)(OP)(H)2	O(PMoCH)(CCHH)	H(CCHO)	C(CCH)(OP)(H)2	O(PMoCH)(CCHH)	H(CCHO)	109.5970	0.034	2	109.5970	0.001	2	109.5700	0.003	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C-3:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCO)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CCO)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	109.6410	0.025	4	109.6410	0.001	4	109.6410	0.001	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[3]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]2)(OC)(H)2	O(CC[3]HH)(CH3)	H(CC[3]HO)	C(C[3]C[3]2)(OC)(H)2	O(CC[3]HH)(CH3)	H(CC[3]HO)	109.4735	0.011	2	109.4735	0.000	2	109.4735	0.000	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[4]-3:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[4]C[4]2)(OS)(H)2	O(CC[4]HH)(SNOO)	H(CC[4]HO)	C(C[4]C[4]2)(OS)(H)2	O(CC[4]HH)(SNOO)	H(CC[4]HO)	109.6783	0.085	7	109.6783	0.007	7	109.6783	0.007	7	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[4]-3:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(C[4]C[4]2)(OP)(H)2	O(PC[6a]OO)(CC[4]HH)	H(CC[4]HO)	C(C[4]C[4]2)(OP)(H)2	O(PC[6a]OO)(CC[4]HH)	H(CC[4]HO)	109.3655	0.025	2	109.3655	0.001	2	109.3655	0.001	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6]C[5])(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]C[5])(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	109.3660	0.037	2	109.3660	0.001	2	109.3954	0.365	24	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5])(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	C(C[5]C[5]N[5])(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	109.3984	0.630	16	109.3984	0.397	16	109.3954	0.365	24	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]N[5]2)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]N[5]2)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	109.3973	0.697	6	109.3973	0.486	6	109.3954	0.365	24	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[5]C[5]N[5])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5]HH)	H(CC[5]HO)	109.4410	0.028	2	109.4410	0.001	2	109.4410	0.001	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5]-3:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(C[5]N[5]O[5])(OP)(H)2	O(PC[6a]2Co)(CC[5]HH)	H(CC[5]HO)	C(C[5]N[5]O[5])(OP)(H)2	O(PC[6a]2Co)(CC[5]HH)	H(CC[5]HO)	109.1580	0.014	2	109.1580	0.000	2	109.6963	0.221	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5]-3:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(C[5]N[5]O[5])(OP)(H)2	O(PC[6a]2Pd)(CC[5]HH)	H(CC[5]HO)	C(C[5]N[5]O[5])(OP)(H)2	O(PC[6a]2Pd)(CC[5]HH)	H(CC[5]HO)	109.9655	0.280	4	109.9655	0.078	4	109.6963	0.221	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5]-3:O-2:H-1:H-1:	P[6]-4:C-4:	C-4:	C(C[5]N[5]O[5])(OP[6])(H)2	O(P[6]C[6,6a]O[6]Pd)(CC[5]HH)	H(CC[5]HO)	C(C[5]N[5]O[5])(OP[6])(H)2	O(P[6]C[6,6a]O[6]Pd)(CC[5]HH)	H(CC[5]HO)	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5]-3:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5]O[5])(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5])(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	109.9980	0.064	2	109.9980	0.004	2	109.9980	0.004	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	B[6]-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OB[6])(H)2	O(B[6]N[5a,6]2O)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OB[6])(H)2	O(B[6]N[5a,6]2O)(CC[5a]HH)	H(CC[5a]HO)	108.8835	0.202	8	108.8835	0.041	8	108.8835	0.041	8	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a,6a]2)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	C(C[5a]C[5a,6a]2)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	108.7715	0.060	2	108.7715	0.004	2	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	108.8365	0.023	4	108.8365	0.001	4	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	O(CC[5a]HH)(CH3)	H(CC[5a]HO)	C(C[5a]C[5a,6a]C[5a])(OC)(H)2	O(CC[5a]HH)(CH3)	H(CC[5a]HO)	109.8205	0.022	2	109.8205	0.000	2	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	109.8940	0.408	20	109.8940	0.167	20	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CC[6a]CH)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CC[6a]CH)	H(CC[5a]HO)	110.1252	0.216	4	110.1252	0.047	4	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CH3)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)(CH3)	H(CC[5a]HO)	110.0360	0.007	2	110.0360	0.000	2	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)2	H(CC[5a]HO)	C(C[5a]C[5a]2)(OC)(H)2	O(CC[5a]HH)2	H(CC[5a]HO)	107.7525	2.292	8	107.7525	5.255	8	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CCCH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CCCH)	H(CC[5a]HO)	109.0625	0.030	2	109.0625	0.001	2	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	109.0455	0.185	11	109.0455	0.034	11	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[5]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[5]HH)	H(CC[5a]HO)	106.7557	6.113	8	106.7557	37.367	8	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]HH)	H(CC[5a]HO)	109.2511	1.052	10	109.2511	1.106	10	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CH3)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)(CH3)	H(CC[5a]HO)	108.9006	2.235	8	108.9006	4.993	8	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)2	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC)(H)2	O(CC[5a]HH)2	H(CC[5a]HO)	109.4110	0.020	2	109.4110	0.000	2	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CC[6a]HH)	H(CC[5a]HO)	108.9140	0.011	2	108.9140	0.000	2	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CH3)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC)(H)2	O(CC[5a]HH)(CH3)	H(CC[5a]HO)	109.5315	0.037	2	109.5315	0.001	2	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	C(C[5a]N[5a,6a]C[5a])(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CC[5a]HO)	110.8230	0.629	2	110.8230	0.396	2	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]N[5a]2)(OC)(H)2	O(CC[5a]HH)(CC[6a]CH)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OC)(H)2	O(CC[5a]HH)(CC[6a]CH)	H(CC[5a]HO)	108.9220	0.021	2	108.9220	0.000	2	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5a]N[5a]2)(OC)(H)2	O(CC[5a]HH)2	H(CC[5a]HO)	C(C[5a]N[5a]2)(OC)(H)2	O(CC[5a]HH)2	H(CC[5a]HO)	109.2296	0.345	8	109.2296	0.119	8	109.0650	4.428	99	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5a]C[5a]2)(OSi)(H)2	O(CC[5a]HH)(SiC3)	H(CC[5a]HO)	C(C[5a]C[5a]2)(OSi)(H)2	O(CC[5a]HH)(SiC3)	H(CC[5a]HO)	109.7580	0.000	1	109.7580	0.000	1	109.2367	0.204	3	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5a]C[5a]N[5a])(OSi)(H)2	O(CC[5a]HH)(SiC3)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OSi)(H)2	O(CC[5a]HH)(SiC3)	H(CC[5a]HO)	108.9760	0.030	2	108.9760	0.001	2	109.2367	0.204	3	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	H(CC[5a]HO)	109.0544	0.208	9	109.0544	0.043	9	109.2885	0.162	13	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]O[5a])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	H(CC[5a]HO)	109.8295	0.009	2	109.8295	0.000	2	109.2885	0.162	13	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[5a]N[5a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]N[5a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	H(CC[5a]HO)	109.8005	0.023	2	109.8005	0.001	2	109.2885	0.162	13	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[5a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(OC[6])(H)2	O(C[6]C[6]2H)(CC[5a]HH)	H(CC[5a]HO)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	O(C[6]C[6]2H)(CC[5a]HH)	H(CC[5a]HO)	109.8192	0.277	13	109.8192	0.077	13	109.8192	0.077	13	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	109.4922	0.710	68	109.4922	0.504	68	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CCHO)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)(CCHO)	H(CC[6]HO)	109.9707	0.475	4	109.9707	0.226	4	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)2	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	O(CC[6]HH)2	H(CC[6]HO)	109.2705	1.740	44	109.2705	3.026	44	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	112.0650	0.004	2	112.0650	0.000	2	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	109.6252	0.522	13	109.6252	0.273	13	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	109.4828	0.605	11	109.4828	0.366	11	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CPdCH)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)(CPdCH)	H(CC[6]HO)	106.4135	3.258	2	106.4135	10.612	2	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)2	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6]HH)2	H(CC[6]HO)	109.6340	0.311	4	109.6340	0.096	4	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.2331	1.415	10	109.2331	2.002	10	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6])(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6])(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.8215	0.006	2	109.8215	0.000	2	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]S[6])(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]S[6])(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.8445	0.009	2	109.8445	0.000	2	109.4435	1.471	162	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6]C[5,6]O[6])(OP)(H)2	O(CC[6]HH)(PSeOS)	H(CC[6]HO)	C(C[6]C[5,6]O[6])(OP)(H)2	O(CC[6]HH)(PSeOS)	H(CC[6]HO)	110.4795	0.046	2	110.4795	0.002	2	112.2448	17.934	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6]C[6]N[6])(OP)(H)2	O(CC[6]HH)(PCOO)	H(CC[6]HO)	C(C[6]C[6]N[6])(OP)(H)2	O(CC[6]HH)(PCOO)	H(CC[6]HO)	117.1060	4.124	2	117.1060	17.006	2	112.2448	17.934	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6]C[6]N[6])(OP)(H)2	O(CC[6]HH)(PNiCC)	H(CC[6]HO)	C(C[6]C[6]N[6])(OP)(H)2	O(CC[6]HH)(PNiCC)	H(CC[6]HO)	109.1490	0.008	2	109.1490	0.000	2	112.2448	17.934	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[5,6]C[6])(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.5330	0.059	2	109.5330	0.004	2	108.7575	1.783	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[6]2)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.1070	0.024	2	109.1070	0.001	2	108.7575	1.783	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2)(OSi)(H)2	O(CC[6]HH)(SiCCO)	H(CC[6]HO)	C(C[6]C[6]2)(OSi)(H)2	O(CC[6]HH)(SiCCO)	H(CC[6]HO)	107.6325	2.221	2	107.6325	4.933	2	108.7575	1.783	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6]HH)	H(CC[6]HO)	109.7860	0.006	2	109.7860	0.000	2	110.4663	0.205	27	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6]HH)	H(CC[6]HO)	110.7055	0.274	17	110.7055	0.075	17	110.4663	0.205	27	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6]C[6]N[6])(OC[6])(H)2	O(C[6]C[6]2H)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]N[6])(OC[6])(H)2	O(C[6]C[6]2H)(CC[6]HH)	H(CC[6]HO)	110.1281	0.433	8	110.1281	0.187	8	110.4663	0.205	27	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[6]C[5,6]C[6])(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[5,6]C[6])(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	109.0160	0.010	2	109.0160	0.000	2	109.6195	1.239	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6]-3:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[6]C[6]2)(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2)(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	110.2230	1.503	2	110.2230	2.260	2	109.6195	1.239	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	B-4:C-4:	C-4:	C(C[6a]C[6a]2)(OB)(H)2	O(BC[6a]2C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB)(H)2	O(BC[6a]2C)(CC[6a]HH)	H(CC[6a]HO)	109.2710	0.049	2	109.2710	0.002	2	109.6105	0.155	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	B-4:C-4:	C-4:	C(C[6a]C[6a]2)(OB)(H)2	O(BC[6a]2C[6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB)(H)2	O(BC[6a]2C[6])(CC[6a]HH)	H(CC[6a]HO)	109.9500	0.010	2	109.9500	0.000	2	109.6105	0.155	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	B[3x6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OB[3x6])(H)2	O(B[3x6]N[5a,6,6]3)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB[3x6])(H)2	O(B[3x6]N[5a,6,6]3)(CC[6a]HH)	H(CC[6a]HO)	108.5220	0.016	2	108.5220	0.000	2	108.5220	0.000	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:B-4:	C-4:	C(C[6a]C[6a]2)(OB)(H)2	O(CC[6a]HH)(BC[6a]3)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB)(H)2	O(CC[6a]HH)(BC[6a]3)	H(CC[6a]HO)	109.8155	0.008	2	109.8155	0.000	2	109.8155	0.000	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(OC)(H)2	O(CC[6a]C[5]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	O(CC[6a]C[5]H)(CC[6a]HH)	H(CC[6a]HO)	109.0755	1.043	4	109.0755	1.089	4	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CC[6a]HO)	109.0835	0.035	2	109.0835	0.001	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	109.5632	2.443	6	109.5632	5.967	6	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	108.6337	0.426	6	108.6337	0.181	6	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]CC)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]CC)(CC[6a]HH)	H(CC[6a]HO)	110.1400	0.010	2	110.1400	0.000	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]C[5]C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]C[5]C)(CC[6a]HH)	H(CC[6a]HO)	110.2205	0.005	2	110.2205	0.000	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	109.8770	0.000	1	109.8770	0.000	1	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	109.7700	0.356	4	109.7700	0.127	4	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CC[6a]HO)	109.3163	0.375	6	109.3163	0.141	6	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	109.6875	0.049	4	109.6875	0.002	4	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	109.9306	0.615	16	109.9306	0.379	16	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[3,6]HH)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[3,6]HH)(CC[6a]HH)	H(CC[6a]HO)	109.5775	0.033	2	109.5775	0.001	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5,5]HH)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5,5]HH)(CC[6a]HH)	H(CC[6a]HO)	109.7569	1.334	7	109.7569	1.781	7	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5,6]CH)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5,6]CH)(CC[6a]HH)	H(CC[6a]HO)	109.9710	0.059	2	109.9710	0.004	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5,6]HH)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5,6]HH)(CC[6a]HH)	H(CC[6a]HO)	108.7501	0.239	8	108.7501	0.057	8	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5a]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5a]2H)(CC[6a]HH)	H(CC[6a]HO)	108.9963	0.240	4	108.9963	0.058	4	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5a]CH)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5a]CH)(CC[6a]HH)	H(CC[6a]HO)	109.5095	1.036	12	109.5095	1.074	12	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5a]HH)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[5a]HH)(CC[6a]HH)	H(CC[6a]HO)	109.4505	0.641	12	109.4505	0.411	12	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6,6]HH)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6,6]HH)(CC[6a]HH)	H(CC[6a]HO)	109.2000	0.052	2	109.2000	0.003	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]CC)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]CC)(CC[6a]HH)	H(CC[6a]HO)	109.9015	0.281	19	109.9015	0.079	19	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]HO)	109.4630	1.210	84	109.4630	1.465	84	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]C[5]C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]C[5]C)(CC[6a]HH)	H(CC[6a]HO)	110.1017	0.134	6	110.1017	0.018	6	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]C[6]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]C[6]2)(CC[6a]HH)	H(CC[6a]HO)	110.0560	0.054	2	110.0560	0.003	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC3)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC3)	H(CC[6a]HO)	110.1953	0.335	26	110.1953	0.112	26	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCCH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCCH)	H(CC[6a]HO)	109.6897	0.569	96	109.6897	0.324	96	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CC[6a]HO)	109.4827	1.125	429	109.4827	1.266	429	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCHN)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCHN)	H(CC[6a]HO)	110.0570	0.004	2	110.0570	0.000	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCHO)	H(CC[6a]HO)	109.6300	0.000	1	109.6300	0.000	1	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCHP)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CCHP)	H(CC[6a]HO)	109.3835	0.750	4	109.3835	0.562	4	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3]CH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3]CH)	H(CC[6a]HO)	108.5065	0.136	2	108.5065	0.019	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[3]HH)	H(CC[6a]HO)	109.6115	0.273	11	109.6115	0.075	11	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[4]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[4]HH)	H(CC[6a]HO)	109.3887	0.597	11	109.3887	0.357	11	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]2H)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]2H)	H(CC[6a]HO)	108.5340	2.284	6	108.5340	5.218	6	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]CC)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]CC)	H(CC[6a]HO)	109.9762	0.246	4	109.9762	0.060	4	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]CH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]CH)	H(CC[6a]HO)	109.2361	1.279	21	109.2361	1.635	21	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[6a]HO)	109.5876	0.975	67	109.5876	0.951	67	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6]CH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6]CH)	H(CC[6a]HO)	109.4823	0.512	22	109.4823	0.262	22	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6a]HO)	109.3197	0.971	143	109.3197	0.943	143	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]HP)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CC[6a]HP)	H(CC[6a]HO)	109.6170	0.072	2	109.6170	0.005	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	109.5664	1.094	82	109.5664	1.196	82	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CHHO)	H(CC[6a]HO)	109.6159	0.711	14	109.6159	0.506	14	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5]HH)	H(CC[6a]HO)	109.1307	1.936	6	109.1307	3.748	6	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5a]CH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5a]CH)	H(CC[6a]HO)	110.2810	0.032	4	110.2810	0.001	4	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CN[5a]HH)	H(CC[6a]HO)	109.6942	0.678	10	109.6942	0.459	10	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CSiHH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)(CSiHH)	H(CC[6a]HO)	109.4393	0.287	4	109.4393	0.082	4	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	109.3063	1.734	232	109.3063	3.005	232	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CC[6a]HO)	109.1063	0.528	8	109.1063	0.279	8	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CC[6]2C)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CC[6]2C)	H(CC[6a]HO)	112.8560	1.201	2	112.8560	1.442	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6a]HO)	109.4395	0.121	2	109.4395	0.015	2	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)(CH3)	H(CC[6a]HO)	109.1928	0.440	4	109.1928	0.194	4	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	O(CC[6a]HH)2	H(CC[6a]HO)	109.6134	0.468	19	109.6134	0.219	19	109.4818	1.352	1447	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:Ge-4:	C-4:	C(C[6a]C[6a]2)(OGe)(H)2	O(CC[6a]HH)(GeCOW)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OGe)(H)2	O(CC[6a]HH)(GeCOW)	H(CC[6a]HO)	109.2115	0.071	2	109.2115	0.005	2	109.2115	0.005	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NBCH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NBCH)	H(CC[6a]HO)	110.3098	0.224	6	110.3098	0.050	6	110.4326	0.088	8	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:N-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NH3)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	O(CC[6a]HH)(NH3)	H(CC[6a]HO)	110.8010	0.033	2	110.8010	0.001	2	110.4326	0.088	8	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PCOO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PCOO)	H(CC[6a]HO)	110.0514	0.485	17	110.0514	0.235	17	109.1907	2.470	62	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PNOO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PNOO)	H(CC[6a]HO)	109.5160	0.034	2	109.5160	0.001	2	109.1907	2.470	62	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PNiCC)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PNiCC)	H(CC[6a]HO)	108.8886	0.136	10	108.8886	0.019	10	109.1907	2.470	62	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PO3)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PO3)	H(CC[6a]HO)	108.4664	2.244	24	108.4664	5.034	24	109.1907	2.470	62	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(POSS)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(POSS)	H(CC[6a]HO)	109.9687	0.102	6	109.9687	0.010	6	109.1907	2.470	62	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PPdOO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	O(CC[6a]HH)(PPdOO)	H(CC[6a]HO)	109.3417	0.664	3	109.3417	0.441	3	109.1907	2.470	62	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(OS)(H)2	O(CC[6a]HH)(SCOO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OS)(H)2	O(CC[6a]HH)(SCOO)	H(CC[6a]HO)	110.2705	0.420	4	110.2705	0.176	4	110.2504	0.121	9	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(OS)(H)2	O(CC[6a]HH)(SO3)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OS)(H)2	O(CC[6a]HH)(SO3)	H(CC[6a]HO)	110.0030	0.127	3	110.0030	0.016	3	110.2504	0.121	9	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]N[6a])(OS)(H)2	O(CC[6a]HH)(SC[6a]OO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OS)(H)2	O(CC[6a]HH)(SC[6a]OO)	H(CC[6a]HO)	110.5815	0.016	2	110.5815	0.000	2	110.2504	0.121	9	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	O(CC[6a]HH)(SiC3)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	O(CC[6a]HH)(SiC3)	H(CC[6a]HO)	109.7097	0.650	21	109.7097	0.422	21	109.7097	0.422	21	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[3]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[3])(H)2	O(C[3]C[3]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[3])(H)2	O(C[3]C[3]2H)(CC[6a]HH)	H(CC[6a]HO)	109.5550	0.377	4	109.5550	0.142	4	109.5550	0.142	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[4,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[4,6])(H)2	O(C[4,6]C[4,6]C[4]O[6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[4,6])(H)2	O(C[4,6]C[4,6]C[4]O[6])(CC[6a]HH)	H(CC[6a]HO)	110.3450	0.221	4	110.3450	0.049	4	110.3450	0.049	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[4]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[4])(H)2	O(C[4]C[4]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[4])(H)2	O(C[4]C[4]2H)(CC[6a]HH)	H(CC[6a]HO)	108.9663	1.747	8	108.9663	3.052	8	108.9663	3.052	8	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	H(CC[6a]HO)	110.1000	0.052	2	110.1000	0.003	2	110.1000	0.003	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,5])(H)2	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,5])(H)2	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	H(CC[6a]HO)	109.7817	0.241	4	109.7817	0.058	4	109.7817	0.058	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	H(CC[6a]HO)	109.8807	0.321	8	109.8807	0.103	8	109.5522	0.476	46	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	H(CC[6a]HO)	109.6370	0.013	2	109.6370	0.000	2	109.5522	0.476	46	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	H(CC[6a]HO)	109.7024	0.380	16	109.7024	0.144	16	109.5522	0.476	46	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	H(CC[6a]HO)	110.2622	0.286	4	110.2622	0.082	4	109.5522	0.476	46	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	H(CC[6a]HO)	108.1245	0.029	2	108.1245	0.001	2	109.5522	0.476	46	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]2H)(CC[6a]HH)	H(CC[6a]HO)	109.0348	0.952	10	109.0348	0.906	10	109.5522	0.476	46	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	H(CC[6a]HO)	109.5493	0.206	4	109.5493	0.043	4	109.5522	0.476	46	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	H(CC[6a]HO)	109.3040	0.000	1	109.3040	0.000	1	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	H(CC[6a]HO)	109.9650	0.021	2	109.9650	0.000	2	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	H(CC[6a]HO)	109.4582	0.572	86	109.4582	0.327	86	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	H(CC[6a]HO)	109.9819	0.232	9	109.9819	0.054	9	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	H(CC[6a]HO)	109.8066	0.082	11	109.8066	0.007	11	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	H(CC[6a]HO)	109.8762	0.104	4	109.8762	0.011	4	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	H(CC[6a]HO)	109.7775	0.064	4	109.7775	0.004	4	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[5]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[5]H)(CC[6a]HH)	H(CC[6a]HO)	109.7945	0.029	2	109.7945	0.001	2	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	H(CC[6a]HO)	109.9048	0.122	4	109.9048	0.015	4	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2C)(CC[6a]HH)	H(CC[6a]HO)	110.1804	0.169	7	110.1804	0.028	7	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	H(CC[6a]HO)	109.1667	4.037	85	109.1667	16.298	85	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[6a]HH)	H(CC[6a]HO)	109.1562	0.458	4	109.1562	0.210	4	109.4303	6.494	219	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]2H)(CC[6a]HH)	H(CC[6a]HO)	109.6270	0.476	10	109.6270	0.227	10	109.1149	2.904	21	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	H(CC[6a]HO)	109.8145	0.239	4	109.8145	0.057	4	109.1149	2.904	21	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	H(CC[6a]HO)	109.1777	0.542	3	109.1777	0.294	3	109.1149	2.904	21	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[6,6]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[6,6]2H)(CC[6a]HH)	H(CC[6a]HO)	107.0880	3.379	4	107.0880	11.420	4	109.1149	2.904	21	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	H(CC[6a]HO)	109.8961	0.186	7	109.8961	0.035	7	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[6,6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[6,6]H)(CC[6a]HH)	H(CC[6a]HO)	116.4705	8.619	2	116.4705	74.286	2	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	109.5854	0.467	8	109.5854	0.218	8	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	109.8015	0.048	4	109.8015	0.002	4	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]2H)(CC[6a]HH)	H(CC[6a]HO)	110.1215	0.005	2	110.1215	0.000	2	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	H(CC[6a]HO)	109.8915	0.042	2	109.8915	0.002	2	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	109.6652	0.648	76	109.6652	0.420	76	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	110.1345	0.011	2	110.1345	0.000	2	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]2H)(CC[6a]HH)	H(CC[6a]HO)	109.6950	0.137	7	109.6950	0.019	7	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	H(CC[6a]HO)	109.9996	0.310	5	109.9996	0.096	5	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	109.5147	1.137	48	109.5147	1.293	48	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	H(CC[6a]HO)	109.0653	0.047	4	109.0653	0.002	4	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2C)(CC[6a]HH)	H(CC[6a]HO)	110.0700	0.027	2	110.0700	0.001	2	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	H(CC[6a]HO)	109.6679	0.897	407	109.6679	0.805	407	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]N[6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]N[6]H)(CC[6a]HH)	H(CC[6a]HO)	109.1260	0.057	2	109.1260	0.003	2	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(CC[6a]HO)	109.5215	0.742	34	109.5215	0.551	34	109.6744	1.002	612	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	O(PC[6a]2Pd)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	O(PC[6a]2Pd)(CC[6a]HH)	H(CC[6a]HO)	108.9565	0.021	2	108.9565	0.000	2	109.3450	0.420	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OP)(H)2	O(PC[6a]2Pt)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OP)(H)2	O(PC[6a]2Pt)(CC[6a]HH)	H(CC[6a]HO)	109.5392	0.741	4	109.5392	0.548	4	109.3450	0.420	6	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	O(SiC[6a]2C)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	O(SiC[6a]2C)(CC[6a]HH)	H(CC[6a]HO)	109.4602	0.245	11	109.4602	0.060	11	109.4922	0.067	12	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	C[6a]-3:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	O(SiC[6a]CO)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	O(SiC[6a]CO)(CC[6a]HH)	H(CC[6a]HO)	109.8450	0.000	1	109.8450	0.000	1	109.4922	0.067	12	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(NCS)(OC)(H)2	O(CCCH)(CHHN)	H(CHNO)	C(NCS)(OC)(H)2	O(CCCH)(CHHN)	H(CHNO)	108.8635	0.032	2	108.8635	0.001	2	109.1758	0.128	9	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(NCS)(OC)(H)2	O(CCHH)(CHHN)	H(CHNO)	C(NCS)(OC)(H)2	O(CCHH)(CHHN)	H(CHNO)	108.9190	0.000	1	108.9190	0.000	1	109.1758	0.128	9	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(NC[5a]C[6a])(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	C(NC[5a]C[6a])(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	109.7545	0.016	2	109.7545	0.000	2	109.1758	0.128	9	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(NC[6a]C)(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	C(NC[6a]C)(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	108.9755	0.025	2	108.9755	0.001	2	109.1758	0.128	9	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(NC[6a]S)(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	C(NC[6a]S)(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	109.2380	0.007	2	109.2380	0.000	2	109.1758	0.128	9	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	O(CN[5]HH)(CCHH)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	O(CN[5]HH)(CCHH)	H(CN[5]HO)	109.2272	0.643	8	109.2272	0.414	8	109.3812	1.492	50	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	O(CN[5]HH)(CH3)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	O(CN[5]HH)(CH3)	H(CN[5]HO)	109.5970	1.551	20	109.5970	2.407	20	109.3812	1.492	50	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5]C[5,6a]N[5])(OC)(H)2	O(CN[5]HH)(CH3)	H(CN[5]HO)	C(N[5]C[5,6a]N[5])(OC)(H)2	O(CN[5]HH)(CH3)	H(CN[5]HO)	109.4100	0.018	2	109.4100	0.000	2	109.3812	1.492	50	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5]C[5]2)(OC)(H)2	O(CC[6a]HH)(CN[5]HH)	H(CN[5]HO)	C(N[5]C[5]2)(OC)(H)2	O(CC[6a]HH)(CN[5]HH)	H(CN[5]HO)	108.8040	1.999	6	108.8040	3.994	6	109.3812	1.492	50	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5]C[5]2)(OC)(H)2	O(CN[5]HH)(CCHH)	H(CN[5]HO)	C(N[5]C[5]2)(OC)(H)2	O(CN[5]HH)(CCHH)	H(CN[5]HO)	109.8183	0.409	3	109.8183	0.167	3	109.3812	1.492	50	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5]C[5]2)(OC)(H)2	O(CN[5]HH)(CH3)	H(CN[5]HO)	C(N[5]C[5]2)(OC)(H)2	O(CN[5]HH)(CH3)	H(CN[5]HO)	109.3102	0.067	6	109.3102	0.005	6	109.3812	1.492	50	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5]C[5]N[5])(OC)(H)2	O(CN[5]HH)(CCHH)	H(CN[5]HO)	C(N[5]C[5]N[5])(OC)(H)2	O(CN[5]HH)(CCHH)	H(CN[5]HO)	109.2050	0.078	2	109.2050	0.006	2	109.3812	1.492	50	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5]C[5]S[5])(OC)(H)2	O(CN[5]HH)2	H(CN[5]HO)	C(N[5]C[5]S[5])(OC)(H)2	O(CN[5]HH)2	H(CN[5]HO)	109.3107	0.422	3	109.3107	0.178	3	109.3812	1.492	50	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(N[5]C[5]2)(OC[6])(H)2	O(C[6]C[6]2H)(CN[5]HH)	H(CN[5]HO)	C(N[5]C[5]2)(OC[6])(H)2	O(C[6]C[6]2H)(CN[5]HH)	H(CN[5]HO)	110.5095	1.686	10	110.5095	2.843	10	110.5095	2.843	10	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(OC)(H)2	O(CC[6a]HH)(CN[5a]HH)	H(CN[5a]HO)	C(N[5a]C[5a,6]C[5a])(OC)(H)2	O(CC[6a]HH)(CN[5a]HH)	H(CN[5a]HO)	109.0980	0.040	2	109.0980	0.002	2	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	O(CN[5a]HH)(CH3)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a,6])(OC)(H)2	O(CN[5a]HH)(CH3)	H(CN[5a]HO)	108.4150	2.153	10	108.4150	4.635	10	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	O(CC[6a]HH)(CN[5a]HH)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	O(CC[6a]HH)(CN[5a]HH)	H(CN[5a]HO)	108.8803	0.086	6	108.8803	0.007	6	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	O(CN[5a]HH)(CCCH)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	O(CN[5a]HH)(CCCH)	H(CN[5a]HO)	110.6845	0.883	4	110.6845	0.779	4	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CN[5a]HO)	109.2205	1.892	8	109.2205	3.578	8	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	O(CN[5a]HH)(CFHH)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OC)(H)2	O(CN[5a]HH)(CFHH)	H(CN[5a]HO)	109.9010	0.013	2	109.9010	0.000	2	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a]2)(OC)(H)2	O(CC[6a]HH)(CN[5a]HH)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC)(H)2	O(CC[6a]HH)(CN[5a]HH)	H(CN[5a]HO)	109.1185	0.023	2	109.1185	0.001	2	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a]2)(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CN[5a]HO)	110.4205	0.069	2	110.4205	0.005	2	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a]2)(OC)(H)2	O(CN[5a]HH)(CH3)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC)(H)2	O(CN[5a]HH)(CH3)	H(CN[5a]HO)	108.9110	0.030	2	108.9110	0.001	2	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CN[5a]HO)	C(N[5a]C[5a]N[5a])(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CN[5a]HO)	110.2738	3.246	6	110.2738	10.538	6	109.3290	3.437	44	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	O(CN[5a]HH)(SiC3)	H(CN[5a]HO)	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	O(CN[5a]HH)(SiC3)	H(CN[5a]HO)	109.3912	0.155	4	109.3912	0.024	4	109.3912	0.024	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[5a]-3:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(N[5a]C[5a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CN[5a]HH)	H(CN[5a]HO)	C(N[5a]C[5a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CN[5a]HH)	H(CN[5a]HO)	109.4013	0.084	4	109.4013	0.007	4	109.4013	0.007	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6,6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(OC)(H)2	O(CN[6,6]HH)(CH3)	H(CN[6,6]HO)	C(N[6,6]C[3x6]C[6,6])(OC)(H)2	O(CN[6,6]HH)(CH3)	H(CN[6,6]HO)	108.3515	3.047	2	108.3515	9.284	2	108.3515	9.284	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(OC)(H)2	O(CN[6]HH)(CCHH)	H(CN[6]HO)	C(N[6]C[6,6a]C[6])(OC)(H)2	O(CN[6]HH)(CCHH)	H(CN[6]HO)	109.1995	0.032	2	109.1995	0.001	2	109.6291	0.172	8	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(OC)(H)2	O(CN[6]HH)(CH3)	H(CN[6]HO)	C(N[6]C[6,6a]C[6])(OC)(H)2	O(CN[6]HH)(CH3)	H(CN[6]HO)	110.0143	0.044	4	110.0143	0.002	4	109.6291	0.172	8	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6]C[6]2)(OC)(H)2	O(CN[6]HH)(CH3)	H(CN[6]HO)	C(N[6]C[6]2)(OC)(H)2	O(CN[6]HH)(CH3)	H(CN[6]HO)	109.2885	0.057	2	109.2885	0.003	2	109.6291	0.172	8	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	O(CN[6a]HH)(CH3)	H(CN[6a]HO)	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	O(CN[6a]HH)(CH3)	H(CN[6a]HO)	109.2640	0.020	2	109.2640	0.000	2	109.2565	1.283	27	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CN[6a]HO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CN[6a]HO)	109.1724	0.075	5	109.1724	0.006	5	109.2565	1.283	27	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6a]C[6a]2)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CN[6a]HO)	109.3260	0.764	8	109.3260	0.584	8	109.2565	1.283	27	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6a]C[6a]2)(OC)(H)2	O(CN[6a]HH)(CC[3]HH)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC)(H)2	O(CN[6a]HH)(CC[3]HH)	H(CN[6a]HO)	109.0987	0.043	4	109.0987	0.002	4	109.2565	1.283	27	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6a]C[6a]2)(OC)(H)2	O(CN[6a]HH)(CH3)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC)(H)2	O(CN[6a]HH)(CH3)	H(CN[6a]HO)	109.8040	5.325	2	109.8040	28.350	2	109.2565	1.283	27	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(N[6a]C[6a]N[6a])(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CN[6a]HO)	C(N[6a]C[6a]N[6a])(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CN[6a]HO)	109.1540	0.105	6	109.1540	0.011	6	109.2565	1.283	27	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6a]-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(N[6a]C[6a]2)(OSi)(H)2	O(CN[6a]HH)(SiC3)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OSi)(H)2	O(CN[6a]HH)(SiC3)	H(CN[6a]HO)	109.0825	0.062	4	109.0825	0.004	4	109.0825	0.004	4	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:	C(N[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	H(CN[6a]HO)	110.1545	0.023	2	110.1545	0.001	2	110.1545	0.001	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	O(C[5]C[5]2H)(CN[6a]HH)	H(CN[6a]HO)	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	O(C[5]C[5]2H)(CN[6a]HH)	H(CN[6a]HO)	109.0590	0.011	2	109.0590	0.000	2	109.0590	0.000	2	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	S-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(SFe2)(OC)(H)2	O(CHHS)2	H(CHOS)	C(SFe2)(OC)(H)2	O(CHHS)2	H(CHOS)	108.5332	0.141	8	108.5332	0.020	8	108.5332	0.020	8	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	4:4:	4:	Se-3:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(SeFe2)(OC)(H)2	O(CSeHH)2	H(CSeHO)	C(SeFe2)(OC)(H)2	O(CSeHH)2	H(CSeHO)	108.5326	0.171	15	108.5326	0.029	15	108.5326	0.029	15	109.4699	1.836	3591	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	5:4:	4:	C-3:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CHH)(OP)(H)2	O(PO3U)(CCHH)	H(CCHO)	C(CHH)(OP)(H)2	O(PO3U)(CCHH)	H(CCHO)	108.5830	0.011	2	108.5830	0.000	2	108.5830	0.000	2	108.9522	0.182	4	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:1:1:	5:4:	4:	C[6a]-3:O-2:H-1:H-1:	Ga[5,6,6]-5:C-4:	C-4:	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	O(Ga[5,6,6]N[5,6]2O[6]2)(CC[6a]HH)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	O(Ga[5,6,6]N[5,6]2O[6]2)(CC[6a]HH)	H(CC[6a]HO)	109.3215	0.023	2	109.3215	0.001	2	109.3215	0.001	2	108.9522	0.182	4	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	3:4:	4:	C[6a]-3:O-2:O-2:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(OC)(H)	O(N[6]C[6]2)(CC[6a]HO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(ON[6])(OC)(H)	O(N[6]C[6]2)(CC[6a]HO)	H(CC[6a]OO)	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C-3:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CNO)(CN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CNO)(CN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C-3:N-2:O-2:H-1:	C-4:H-1:	C-4:	C(CNO)(NC)(OH)(H)	O(CCHN)(H)	H(CCNO)	C(CNO)(NC)(OH)(H)	O(CCHN)(H)	H(CCNO)	109.5102	0.554	4	109.5102	0.307	4	109.5102	0.307	4	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C-3:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)(H)	H(CCOO)	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)(H)	H(CCOO)	109.4787	1.087	3	109.4787	1.181	3	109.4818	0.590	5	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C-3:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]O)(OH)2(H)	O(CCHO)(H)	H(CCOO)	C(CC[6a]O)(OH)2(H)	O(CCHO)(H)	H(CCOO)	109.4865	0.029	2	109.4865	0.001	2	109.4818	0.590	5	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C[5]-3:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5]2)(OH)2(H)	O(CC[5]HO)(H)	H(CC[5]OO)	C(C[5]N[5]2)(OH)2(H)	O(CC[5]HO)(H)	H(CC[5]OO)	109.7950	0.006	2	109.7950	0.000	2	109.7950	0.000	2	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C[6]-3:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	O(CC[6]HO)(H)	H(CC[6]OO)	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	O(CC[6]HO)(H)	H(CC[6]OO)	110.0850	0.000	1	110.0850	0.000	1	104.7148	84.352	5	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C[6]-3:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(H)	H(CC[6]OO)	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(H)	H(CC[6]OO)	99.0164	15.016	2	99.0164	225.467	2	104.7148	84.352	5	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C[6]-3:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6])(OH)2(H)	O(CC[6]HO)(H)	H(CC[6]OO)	C(C[6]C[6]N[6])(OH)2(H)	O(CC[6]HO)(H)	H(CC[6]OO)	107.7280	0.010	2	107.7280	0.000	2	104.7148	84.352	5	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C[6a]-3:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2029	1.922	8	108.2029	3.693	8	108.3356	3.390	9	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C[6a]-3:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.3970	0.000	1	109.3970	0.000	1	108.3356	3.390	9	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:1:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(OH)2(H)	O(CC[6a]HO)(H)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OH)2(H)	O(CC[6a]HO)(H)	H(CC[6a]OO)	108.1385	0.005	2	108.1385	0.000	2	108.1385	0.000	2	108.1460	16.622	28	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:2:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:O-2:	C-4:	C(C[6a]C[6a]2)(OO)2(H)	O(CC[6a]HO)(OH)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OO)2(H)	O(CC[6a]HO)(OH)	H(CC[6a]OO)	107.8100	0.006	2	107.8100	0.000	2	107.8100	0.000	2	107.8100	0.000	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C-3:N-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCH)(NC)(OC)(H)	O(CCHH)(CCHN)	H(CCNO)	C(CCH)(NC)(OC)(H)	O(CCHH)(CCHN)	H(CCNO)	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCI)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	C(CCI)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	109.2933	0.355	4	109.2933	0.126	4	109.1818	0.453	9	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCO)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CCO)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	108.5510	0.018	2	108.5510	0.000	2	109.1818	0.453	9	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)2	H(CCOO)	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)2	H(CCOO)	108.8535	0.118	2	108.8535	0.014	2	109.1818	0.453	9	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]O)(OC)(OH)(H)	O(CC[6a]HH)(CCHO)	H(CCOO)	C(CC[6a]O)(OC)(OH)(H)	O(CC[6a]HH)(CCHO)	H(CCOO)	110.6540	0.000	1	110.6540	0.000	1	109.1818	0.453	9	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C-3:S-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]O)(SC[6a])(OC)(H)	O(CCHS)(CH3)	H(CCOS)	C(CC[6a]O)(SC[6a])(OC)(H)	O(CCHS)(CH3)	H(CCOS)	108.6085	0.104	4	108.6085	0.011	4	108.6085	0.011	4	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	110.1460	0.000	1	110.1460	0.000	1	109.4370	19.403	17	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(CCHH)	H(CC[6]OO)	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(CCHH)	H(CC[6]OO)	109.6170	0.000	1	109.6170	0.000	1	109.4370	19.403	17	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	126.3570	0.000	1	126.3570	0.000	1	109.4370	19.403	17	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OC)2(H)	O(CC[6]HO)(CCHH)	H(CC[6]OO)	C(C[6]C[6]N[6])(OC)2(H)	O(CC[6]HO)(CCHH)	H(CC[6]OO)	108.0767	0.256	6	108.0767	0.066	6	109.4370	19.403	17	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	C(C[6]C[6]N[6])(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	108.2311	0.284	8	108.2311	0.081	8	109.4370	19.403	17	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:C-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OC)(H)	O(CC[6a]CH)(CC[5]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OC)(H)	O(CC[6a]CH)(CC[5]HH)	H(CC[6a]CO)	108.3660	0.000	1	108.3660	0.000	1	108.8800	0.528	2	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:C-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(OC)(H)	O(CC[6a]CH)(CC[6a]3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN)(OC)(H)	O(CC[6a]CH)(CC[6a]3)	H(CC[6a]CO)	109.3940	0.000	1	109.3940	0.000	1	108.8800	0.528	2	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:C-2:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CN)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CN)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(CC[6a]CO)	108.7830	0.696	2	108.7830	0.484	2	108.7830	0.484	2	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	107.9085	0.013	2	107.9085	0.000	2	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC)2(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	C(C[6a]C[6a,6a]2)(OC)2(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	109.1405	0.028	2	109.1405	0.001	2	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]CC)(CC[6a]HO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]CC)(CC[6a]HO)	H(CC[6a]OO)	109.8110	0.000	1	109.8110	0.000	1	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCHH)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCHH)	H(CC[6a]OO)	101.7549	6.420	8	101.7549	41.211	8	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	107.9784	1.437	12	107.9784	2.064	12	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(CC[6a]HO)(CC3)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(CC[6a]HO)(CC3)	H(CC[6a]OO)	109.1020	0.148	2	109.1020	0.022	2	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	96.8125	0.000	1	96.8125	0.000	1	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(OC)(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	C(C[6a]C[6a]2)(ON[6])(OC)(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	108.4840	0.000	1	108.4840	0.000	1	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	O(CC[6a]HO)(CCHH)	H(CC[6a]OO)	C(C[6a]C[6a]N[6a])(OC)2(H)	O(CC[6a]HO)(CCHH)	H(CC[6a]OO)	107.1440	0.017	2	107.1440	0.000	2	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	C(C[6a]C[6a]N[6a])(OC)2(H)	O(CC[6a]HO)(CH3)	H(CC[6a]OO)	108.3225	1.127	8	108.3225	1.269	8	106.6169	18.250	39	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:2:1:	4:4:	4:	N-3:S-2:O-2:H-1:	C-4:C-4:	C-4:	C(NC[6a]C)(SIr)(OC)(H)	O(CHNS)(CC3)	H(CNOS)	C(NC[6a]C)(SIr)(OC)(H)	O(CHNS)(CC3)	H(CNOS)	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	107.8486	15.343	75	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:3:1:	3:4:	4:	C[6a]-3:O-2:C-3:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(COO)(H)	O(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[6])(COO)(H)	O(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CO)	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:3:1:	4:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CC[6a]CH)	H(CC[6a]CO)	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	109.6098	0.267	6	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:3:1:	4:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(COO)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(COO)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(CC[6a]CO)	109.7912	0.296	5	109.7912	0.087	5	109.7912	0.087	5	109.6098	0.267	6	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	3:4:	4:	C-3:O-2:C-4:H-1:	N[5]-3:C-4:	C-4:	C(CC[6a]O)(ON[5])(CHHN)(H)	O(N[5]C[5]2)(CCCH)	H(CCCO)	C(CC[6a]O)(ON[5])(CHHN)(H)	O(N[5]C[5]2)(CCCH)	H(CCCO)	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	109.0819	0.333	10	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	O(N[5]C[5]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	O(N[5]C[5]2)(CC[6a]CH)	H(CC[6a]CO)	109.0530	0.000	1	109.0530	0.000	1	109.0828	0.168	4	109.0819	0.333	10	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	O(N[5]B[5]P[5])(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	O(N[5]B[5]P[5])(CC[6a]CH)	H(CC[6a]CO)	109.1850	0.000	1	109.1850	0.000	1	109.0828	0.168	4	109.0819	0.333	10	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	O(N[5]C[5,6]C[5])(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	O(N[5]C[5,6]C[5])(CC[6a]CH)	H(CC[6a]CO)	108.5520	0.000	1	108.5520	0.000	1	109.0828	0.168	4	109.0819	0.333	10	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	O(N[5]C[5]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	O(N[5]C[5]2)(CC[6a]CH)	H(CC[6a]CO)	109.5410	0.000	1	109.5410	0.000	1	109.0828	0.168	4	109.0819	0.333	10	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	O(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	O(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CO)	108.8785	0.209	2	108.8785	0.044	2	109.2874	0.306	5	109.0819	0.333	10	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	3:4:	4:	C[6a]-3:O-2:C-4:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	O(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	O(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CO)	109.5600	0.558	3	109.5600	0.312	3	109.2874	0.306	5	109.0819	0.333	10	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[3]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	O(C[3]C[3]2H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	O(C[3]C[3]2H)(CC[6a]CH)	H(CC[6a]CO)	107.6607	1.004	3	107.6607	1.007	3	107.6607	1.007	3	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[4]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	O(C[4]C[4,6]C[4]H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	O(C[4]C[4,6]C[4]H)(CC[6a]CH)	H(CC[6a]CO)	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[5,6,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	H(CC[6a]CO)	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	O(C[5]C[5]2H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	O(C[5]C[5]2H)(CC[6a]CH)	H(CC[6a]CO)	107.8320	0.000	1	107.8320	0.000	1	107.6047	0.072	3	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	O(C[5]C[5]N[5]H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	O(C[5]C[5]N[5]H)(CC[6a]CH)	H(CC[6a]CO)	107.4910	0.259	2	107.4910	0.067	2	107.6047	0.072	3	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(CC[6a]CO)	107.8370	0.000	1	107.8370	0.000	1	108.7026	5.609	8	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(CC[6a]CO)	109.4680	0.000	1	109.4680	0.000	1	108.7026	5.609	8	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(CC[6a]CO)	108.5206	3.031	5	108.5206	9.186	5	108.7026	5.609	8	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(CC[6a]CO)	109.7130	0.000	1	109.7130	0.000	1	108.7026	5.609	8	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:2:4:1:	4:4:	4:	C[6a]-3:O-2:C-4:H-1:	P[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	O(P[5]N[5]2Pd)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	O(P[5]N[5]2Pd)(CC[6a]CH)	H(CC[6a]CO)	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	108.3357	2.943	17	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	3:4:	4:	C-3:C-3:O-2:H-1:	N[6]-3:C-4:	C-4:	C(CC[6a]O)2(ON[6])(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	C(CC[6a]O)2(ON[6])(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	108.8165	0.078	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	3:4:	4:	C[6a]-3:N-3:O-2:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	O(N[6]C[6]2)(CC[6a]HN)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	O(N[6]C[6]2)(CC[6a]HN)	H(CC[6a]NO)	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	108.8165	0.078	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1665	1.210	2	108.1665	1.464	2	109.0107	8.321	16	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1503	3.216	3	108.1503	10.341	3	109.0107	8.321	16	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.2630	0.000	1	106.2630	0.000	1	109.0107	8.321	16	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]C)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]C)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	112.1750	0.000	1	112.1750	0.000	1	109.0107	8.321	16	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]C)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]C)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.5610	0.000	1	110.5610	0.000	1	109.0107	8.321	16	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]O)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]O)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6390	0.000	1	108.6390	0.000	1	109.0107	8.321	16	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CIrC)(CCP)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CIrC)(CCP)(OH)(H)	O(CCCH)(H)	H(CCCO)	102.6010	0.000	1	102.6010	0.000	1	109.0107	8.321	16	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(COO)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(COO)2(OH)(H)	O(CCCH)(H)	H(CCCO)	110.8598	2.276	5	110.8598	5.179	5	109.0107	8.321	16	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CSiC)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CSiC)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8490	0.000	1	108.8490	0.000	1	109.0107	8.321	16	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5])(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5])(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	109.4003	0.500	3	109.4003	0.250	3	109.4003	0.250	3	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5]-3:N[5]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	O(CC[5]N[5]H)(H)	H(CC[5]N[5]O)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	O(CC[5]N[5]H)(H)	H(CC[5]N[5]O)	108.0940	0.252	2	108.0940	0.063	2	108.0940	0.063	2	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	107.5160	0.000	1	107.5160	0.000	1	107.6520	3.298	7	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.9910	0.000	1	108.9910	0.000	1	107.6520	3.298	7	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6a]N[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a,6a]N[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	105.6710	0.000	1	105.6710	0.000	1	107.6520	3.298	7	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	105.0130	0.000	1	105.0130	0.000	1	107.6520	3.298	7	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.0850	0.451	2	108.0850	0.204	2	107.6520	3.298	7	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]S[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	110.2030	0.000	1	110.2030	0.000	1	107.6520	3.298	7	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C[5a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]2)2(OH)(H)	O(CC[5a]2H)(H)	H(CC[5a]2O)	C(C[5a]C[5a]2)2(OH)(H)	O(CC[5a]2H)(H)	H(CC[5a]2O)	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	109.3910	0.000	1	109.3910	0.000	1	107.6104	1.849	8	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	108.3160	0.000	1	108.3160	0.000	1	107.6104	1.849	8	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	106.8285	1.484	4	106.8285	2.202	4	107.6104	1.849	8	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	108.0240	0.000	1	108.0240	0.000	1	107.6104	1.849	8	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	O(CC[5a]C[6a]H)(H)	H(CC[5a]C[6a]O)	107.8380	0.000	1	107.8380	0.000	1	107.6104	1.849	8	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(CCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	110.2355	0.128	2	110.2355	0.016	2	109.8478	7.574	9	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(CC[6]O)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]O)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.2173	1.757	3	108.2173	3.088	3	109.8478	7.574	9	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.8635	0.668	2	108.8635	0.447	2	109.8478	7.574	9	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6])(CNO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]N[6])(CNO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	112.8900	5.023	2	112.8900	25.233	2	109.8478	7.574	9	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CBrC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.1480	0.000	1	108.1480	0.000	1	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.6240	0.876	12	108.6240	0.767	12	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.4970	0.364	4	108.4970	0.133	4	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.0810	0.000	1	108.0810	0.000	1	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.0525	0.234	2	109.0525	0.055	2	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.4595	0.302	2	107.4595	0.091	2	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	105.7805	0.433	2	105.7805	0.188	2	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]C)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5a]C)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.8750	0.000	1	108.8750	0.000	1	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5a]O)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.7180	0.000	1	107.7180	0.000	1	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.3020	0.000	1	108.3020	0.000	1	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.4980	0.435	5	108.4980	0.190	5	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.1718	0.151	4	108.1718	0.023	4	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CNO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.3492	1.183	5	108.3492	1.399	5	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.7459	1.144	158	108.7459	1.309	158	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CSiC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CSiC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.7412	0.644	5	107.7412	0.415	5	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.0060	0.000	1	109.0060	0.000	1	108.6325	1.232	205	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.5017	0.735	7	108.5017	0.540	7	108.5002	0.463	8	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.4900	0.000	1	108.4900	0.000	1	108.5002	0.463	8	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	107.4302	1.830	9	107.4302	3.348	9	107.4302	3.348	9	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	108.8070	0.000	1	108.8070	0.000	1	108.5286	0.450	36	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	108.6690	0.000	1	108.6690	0.000	1	108.5286	0.450	36	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	108.4770	0.339	2	108.4770	0.115	2	108.5286	0.450	36	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	108.3565	0.278	2	108.3565	0.077	2	108.5286	0.450	36	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	108.4079	0.710	21	108.4079	0.504	21	108.5286	0.450	36	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	108.7806	0.774	8	108.7806	0.599	8	108.5286	0.450	36	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]2H)(H)	H(CC[6a]2O)	109.0770	0.000	1	109.0770	0.000	1	108.5286	0.450	36	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:N-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCC)(OH)(H)	O(CC[6a]HN)(H)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NCC)(OH)(H)	O(CC[6a]HN)(H)	H(CC[6a]NO)	108.7107	0.633	3	108.7107	0.401	3	109.3331	1.580	10	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:N-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCH)(OH)(H)	O(CC[6a]HN)(H)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NCH)(OH)(H)	O(CC[6a]HN)(H)	H(CC[6a]NO)	108.3910	0.000	1	108.3910	0.000	1	109.3331	1.580	10	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	C[6a]-3:N-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	O(CC[6a]HN)(H)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	O(CC[6a]HN)(H)	H(CC[6a]NO)	109.8013	1.418	6	109.8013	2.011	6	109.3331	1.580	10	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:1:	4:	N-3:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(NC[6]2)(CNO)(OH)(H)	O(CCHN)(H)	H(CCNO)	C(NC[6]2)(CNO)(OH)(H)	O(CCHN)(H)	H(CCNO)	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	108.6184	1.848	316	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:2:	4:	N[5a]-3:C-3:O-2:H-1:	C-4:O-2:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	O(CN[5a]CH)(OC)	H(CN[5a]CO)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	O(CN[5a]CH)(OC)	H(CN[5a]CO)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCO)(CNO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CCO)(CNO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	108.4640	0.322	18	108.4640	0.104	18	108.4135	0.487	25	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCO)2(OC)(H)	O(CCCH)2	H(CCCO)	C(CCO)2(OC)(H)	O(CCCH)2	H(CCCO)	105.5610	0.000	1	105.5610	0.000	1	108.4135	0.487	25	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(COO)2(OC)(H)	O(CC[6a]N[5a]H)(CCCH)	H(CCCO)	C(COO)2(OC)(H)	O(CC[6a]N[5a]H)(CCCH)	H(CCCO)	108.7375	0.470	6	108.7375	0.221	6	108.4135	0.487	25	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CCH)(CNO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCH)(CNO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	109.8230	0.000	1	109.8230	0.000	1	108.1343	2.219	3	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CCH)(COO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCH)(COO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	107.2900	0.402	2	107.2900	0.161	2	108.1343	2.219	3	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C-3:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCH)(NCS)(OC)(H)	O(CCHN)(CH3)	H(CCNO)	C(CCH)(NCS)(OC)(H)	O(CCHN)(CH3)	H(CCNO)	116.1320	0.000	1	116.1320	0.000	1	112.4955	26.448	2	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C-3:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]O)(NCN)(OC)(H)	O(CC[6a]HH)(CCHN)	H(CCNO)	C(CC[6a]O)(NCN)(OC)(H)	O(CC[6a]HH)(CCHN)	H(CCNO)	108.8590	0.000	1	108.8590	0.000	1	112.4955	26.448	2	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]HH)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CC[6a]HH)	H(CC[6a]C[5]O)	107.7640	2.270	2	107.7640	5.152	2	108.1947	2.172	4	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCCH)	H(CC[6a]C[5]O)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCCH)	H(CC[6a]C[5]O)	109.1830	0.000	1	109.1830	0.000	1	108.1947	2.172	4	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	108.0680	0.000	1	108.0680	0.000	1	108.1947	2.172	4	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5a]-3:C[5a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	O(CC[5a]2H)(CC[6a]HH)	H(CC[5a]2O)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	O(CC[5a]2H)(CC[6a]HH)	H(CC[5a]2O)	106.5260	0.310	2	106.5260	0.096	2	107.2183	1.486	3	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5a]-3:C[5a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(OC)(H)	O(CC[5a]2H)(CH3)	H(CC[5a]2O)	C(C[5a]C[5a]N[5a])2(OC)(H)	O(CC[5a]2H)(CH3)	H(CC[5a]2O)	108.6030	0.000	1	108.6030	0.000	1	107.2183	1.486	3	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CH3)	H(CC[5a]C[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CH3)	H(CC[5a]C[6a]O)	107.5080	0.000	1	107.5080	0.000	1	107.9298	1.028	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CH3)	H(CC[5a]C[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CH3)	H(CC[5a]C[6a]O)	107.3330	0.000	1	107.3330	0.000	1	107.9298	1.028	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CCHH)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CCHH)	H(CC[5a]C[6a]O)	109.7270	0.000	1	109.7270	0.000	1	107.9298	1.028	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CCHH)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CCHH)	H(CC[5a]C[6a]O)	107.6880	0.000	1	107.6880	0.000	1	107.9298	1.028	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CC[3]HH)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[5a]C[6a]H)(CC[3]HH)	H(CC[5a]C[6a]O)	107.3930	0.000	1	107.3930	0.000	1	107.9298	1.028	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[5a]-3:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(NCN)(OC)(H)	O(CC[5a]HN)(CH3)	H(CC[5a]NO)	C(C[5a]C[5a]N[5a])(NCN)(OC)(H)	O(CC[5a]HN)(CH3)	H(CC[5a]NO)	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6,6]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	O(CC[6,6]CH)(CH3)	H(CC[6,6]CO)	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	O(CC[6,6]CH)(CH3)	H(CC[6,6]CO)	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	107.5515	1.211	2	107.5515	1.467	2	107.5515	1.467	2	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[6]2)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[6]H)(CCHH)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[6]H)(CCHH)	H(CC[6a]C[6]O)	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6]-3:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Fe)(OC)(H)	O(CC[6]HN)(CH3)	H(CC[6]NO)	C(C[6]C[6]N[6])(NC[6a]Fe)(OC)(H)	O(CC[6]HN)(CH3)	H(CC[6]NO)	107.3520	0.000	1	107.3520	0.000	1	107.4330	0.162	3	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6]-3:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(NC[6a]Ni)(OC)(H)	O(CC[6]HN)(CH3)	H(CC[6]NO)	C(C[6]C[6]N[6])(NC[6a]Ni)(OC)(H)	O(CC[6]HN)(CH3)	H(CC[6]NO)	107.4735	0.561	2	107.4735	0.314	2	107.4330	0.162	3	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6]-3:O-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OPtC)(OC)(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	C(C[6]C[6]N[6])(OPtC)(OC)(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	108.5020	0.028	2	108.5020	0.001	2	108.4243	0.018	3	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6]-3:O-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OReC)(OC)(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	C(C[6]C[6]N[6])(OReC)(OC)(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	108.2690	0.000	1	108.2690	0.000	1	108.4243	0.018	3	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:B[5]-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	O(CC[6a]B[5]H)(SiC3)	H(CC[6a]B[5]O)	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	O(CC[6a]B[5]H)(SiC3)	H(CC[6a]B[5]O)	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	109.5133	0.160	3	109.5133	0.026	3	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	108.7240	0.000	1	108.7240	0.000	1	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	108.8900	0.000	1	108.8900	0.000	1	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCN)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	108.2180	0.000	1	108.2180	0.000	1	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CClC)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClC)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	106.9103	3.550	6	106.9103	12.604	6	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	108.9900	0.000	1	108.9900	0.000	1	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	109.1258	1.443	10	109.1258	2.082	10	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	111.0010	1.216	3	111.0010	1.478	3	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]C)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]C)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	108.2560	0.000	1	108.2560	0.000	1	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]O)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	109.7340	0.000	1	109.7340	0.000	1	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]CO)	108.0290	1.889	2	108.0290	3.570	2	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	109.1750	0.370	13	109.1750	0.137	13	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(COS)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COS)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	109.2230	0.505	2	109.2230	0.255	2	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]N[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	108.8860	0.238	4	108.8860	0.057	4	108.9061	2.778	49	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(COO)(OS)(H)	O(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OS)(H)	O(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CO)	107.8005	0.057	2	107.8005	0.003	2	107.8005	0.003	2	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	109.6710	0.000	1	109.6710	0.000	1	109.2276	0.414	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	O(CC[6a]CH)(SiC[6a]3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	O(CC[6a]CH)(SiC[6a]3)	H(CC[6a]CO)	109.2340	0.132	2	109.2340	0.017	2	109.2276	0.414	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CClC)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClC)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	108.1820	0.000	1	108.1820	0.000	1	109.2276	0.414	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CNO)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	109.8170	0.000	1	109.8170	0.000	1	109.2276	0.414	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	P[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	O(P[5]O[5]2O)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	O(P[5]O[5]2O)(CC[6a]CH)	H(CC[6a]CO)	109.3070	0.000	1	109.3070	0.000	1	109.3070	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C-3:O-2:H-1:	Si-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	O(SiC[6a]2C)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	O(SiC[6a]2C)(CC[6a]CH)	H(CC[6a]CO)	109.9950	0.000	1	109.9950	0.000	1	109.9950	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	O(CC[6a]C[6]H)(CCHH)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	O(CC[6a]C[6]H)(CCHH)	H(CC[6a]C[6]O)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	B-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OB)(H)	O(BC[6a]2C[6])(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OB)(H)	O(BC[6a]2C[6])(CC[6a]2H)	H(CC[6a]2O)	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]2O)	106.5275	1.933	2	106.5275	3.735	2	108.3919	0.545	32	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]2H)(CH3)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]2H)(CH3)	H(CC[6a]2O)	108.6070	0.000	1	108.6070	0.000	1	108.3919	0.545	32	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]2H)(CHHO)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]2H)(CHHO)	H(CC[6a]2O)	108.9920	0.467	2	108.9920	0.218	2	108.3919	0.545	32	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]2O)	108.7793	0.628	3	108.7793	0.395	3	108.3919	0.545	32	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCCH)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCCH)	H(CC[6a]2O)	108.4690	0.535	5	108.4690	0.286	5	108.3919	0.545	32	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCHH)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CCHH)	H(CC[6a]2O)	108.4063	0.371	10	108.4063	0.138	10	108.3919	0.545	32	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CH3)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)(CH3)	H(CC[6a]2O)	108.9443	0.201	3	108.9443	0.040	3	108.3919	0.545	32	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)2	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	O(CC[6a]2H)2	H(CC[6a]2O)	108.2195	0.283	6	108.2195	0.080	6	108.3919	0.545	32	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	O(CC[6a]2H)(PO3)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	O(CC[6a]2H)(PO3)	H(CC[6a]2O)	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)2(OSi)(H)	O(CC[6a]2H)(SiRhCC)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OSi)(H)	O(CC[6a]2H)(SiRhCC)	H(CC[6a]2O)	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,5]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[5,5])(H)	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[5,5])(H)	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	H(CC[6a]2O)	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	H(CC[6a]2O)	108.5000	0.000	1	108.5000	0.000	1	108.5905	4.605	10	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	H(CC[6a]2O)	108.3460	2.738	3	108.3460	7.498	3	108.5905	4.605	10	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5,6a]N[5]H)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5,6a]N[5]H)(CC[6a]2H)	H(CC[6a]2O)	108.1213	0.393	3	108.1213	0.155	3	108.5905	4.605	10	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5]2H)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5]2H)(CC[6a]2H)	H(CC[6a]2O)	113.3020	0.000	1	113.3020	0.000	1	108.5905	4.605	10	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5]N[5]H)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5]N[5]H)(CC[6a]2H)	H(CC[6a]2O)	107.3505	0.152	2	107.3505	0.023	2	108.5905	4.605	10	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]2H)	H(CC[6a]2O)	108.4210	0.000	1	108.4210	0.000	1	108.2824	0.096	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	H(CC[6a]2O)	107.9810	0.000	1	107.9810	0.000	1	108.2824	0.096	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[6])(H)	O(C[6]C[6]O[6]H)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[6])(H)	O(C[6]C[6]O[6]H)(CC[6a]2H)	H(CC[6a]2O)	108.3367	0.365	3	108.3367	0.133	3	108.2824	0.096	5	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	O(CC[6a]HN)(CCHH)	H(CC[6a]NO)	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	O(CC[6a]HN)(CCHH)	H(CC[6a]NO)	99.9580	0.000	1	99.9580	0.000	1	106.5610	19.890	4	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(OC)(H)	O(CC[6a]HN)(CCCH)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NCC)(OC)(H)	O(CC[6a]HN)(CCCH)	H(CC[6a]NO)	107.9340	0.000	1	107.9340	0.000	1	106.5610	19.890	4	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(OC)(H)	O(CC[6a]HN)(CCHH)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NCH)(OC)(H)	O(CC[6a]HN)(CCHH)	H(CC[6a]NO)	108.6710	0.000	1	108.6710	0.000	1	106.5610	19.890	4	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	O(CC[6a]HN)(CH3)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	O(CC[6a]HN)(CH3)	H(CC[6a]NO)	109.6810	0.000	1	109.6810	0.000	1	106.5610	19.890	4	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:N[5a]-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	O(CC[6a]N[5a]H)(SiC3)	H(CC[6a]N[5a]O)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	O(CC[6a]N[5a]H)(SiC3)	H(CC[6a]N[5a]O)	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	C[6a]-3:O-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(OPdC)(OC)(H)	O(CC[6a]HO)(CCHH)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OPdC)(OC)(H)	O(CC[6a]HO)(CCHH)	H(CC[6a]OO)	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	N[5a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	O(CC[6a]HH)(CN[5a]CH)	H(CN[5a]CO)	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	O(CC[6a]HH)(CN[5a]CH)	H(CN[5a]CO)	109.7100	0.017	2	109.7100	0.000	2	109.7100	0.000	2	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]N[5a]H)(CCCH)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]N[5a]H)(CCCH)	H(CC[6a]N[5a]O)	108.7170	0.000	1	108.7170	0.000	1	108.9667	0.044	6	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	4:4:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]N[5a]H)(CCCH)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	O(CC[6a]N[5a]H)(CCCH)	H(CC[6a]N[5a]O)	109.0166	0.190	5	109.0166	0.036	5	108.9667	0.044	6	108.5650	2.265	179	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:3:2:1:	5:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	B[5]-5:C-4:	C-4:	C(C[6a]C[6a]2)2(OB[5])(H)	O(B[5]O[5]2MgO)(CC[6a]2H)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OB[5])(H)	O(B[5]O[5]2MgO)(CC[6a]2H)	H(CC[6a]2O)	108.1390	0.000	1	108.1390	0.000	1	108.1390	0.000	1	108.1390	0.000	1	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	2:4:	4:	N-3:C-4:O-2:H-1:	O-2:C-4:	C-4:	C(NC[6a]H)(CHNO)(OO)(H)	O(OC[6])(CCHN)	H(CCNO)	C(NC[6a]H)(CHNO)(OO)(H)	O(OC[6])(CCHN)	H(CCNO)	109.5012	0.305	4	109.5012	0.093	4	109.5012	0.093	4	109.5012	0.093	4	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	3:4:	4:	C[6a]-3:C-4:O-2:H-1:	N[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	O(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	O(N[6]C[6]2)(CC[6a]CH)	H(CC[6a]CO)	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	108.9320	0.747	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	N[5a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	O(N[5a]C[5a,6a]N[5a])(CC[6a]C[5]H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	O(N[5a]C[5a,6a]N[5a])(CC[6a]C[5]H)	H(CC[6a]C[5]O)	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	108.9320	0.747	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5a]O)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5a]O)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6730	0.000	1	108.6730	0.000	1	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]H)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]H)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.7000	0.000	1	109.7000	0.000	1	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]C[5])(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]C[5])(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.6740	0.086	2	107.6740	0.007	2	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]O)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]O)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2313	0.296	6	108.2313	0.088	6	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]O)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]O)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1650	0.000	1	108.1650	0.000	1	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]O)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]O)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.1050	0.000	1	110.1050	0.000	1	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]C)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]C)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.2490	0.282	6	107.2490	0.080	6	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]O)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]O)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8955	0.046	2	108.8955	0.002	2	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]O)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]O)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.1860	0.000	1	106.1860	0.000	1	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5a]C)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5a]C)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.8430	0.182	2	106.8430	0.033	2	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CRuC)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CRuC)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.5460	0.133	2	109.5460	0.018	2	108.0651	1.036	25	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]2)(CH3)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]2)(CH3)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5,6]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	109.2405	0.050	2	109.2405	0.003	2	109.2405	0.003	2	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5,6]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	O(CC[5,6]C[5]H)(H)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	O(CC[5,6]C[5]H)(H)	H(CC[5,6]C[5]O)	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.7970	0.000	1	107.7970	0.000	1	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.9557	0.939	3	107.9557	0.882	3	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.2780	0.000	1	107.2780	0.000	1	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.1620	0.000	1	109.1620	0.000	1	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]P[5])(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]P[5])(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.0820	0.000	1	109.0820	0.000	1	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5]2)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	110.0670	0.000	1	110.0670	0.000	1	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5]2)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.2817	2.687	3	109.2817	7.218	3	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	110.0600	0.000	1	110.0600	0.000	1	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	110.2452	0.863	5	110.2452	0.745	5	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5]2)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.4285	0.548	2	109.4285	0.300	2	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5]S[5])(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5]S[5])(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.6870	0.000	1	109.6870	0.000	1	109.2464	1.951	20	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	107.7840	0.445	2	107.7840	0.198	2	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	109.5220	0.000	1	109.5220	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.4270	0.000	1	108.4270	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	109.1630	0.298	2	109.1630	0.089	2	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	107.9740	0.000	1	107.9740	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.9900	0.000	1	108.9900	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	106.6255	0.176	2	106.6255	0.031	2	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.9290	0.000	1	108.9290	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.5150	0.000	1	108.5150	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.1977	0.271	4	108.1977	0.074	4	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	107.4857	0.284	3	107.4857	0.081	3	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	107.2880	0.000	1	107.2880	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.2900	1.264	2	108.2900	1.598	2	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	107.5285	0.340	2	107.5285	0.116	2	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.5685	0.798	2	108.5685	0.637	2	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	109.6400	0.000	1	109.6400	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	109.6190	0.000	1	109.6190	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	107.6297	1.257	3	107.6297	1.579	3	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	109.3940	0.000	1	109.3940	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	107.6060	0.000	1	107.6060	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.4920	0.000	1	108.4920	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]N[5a]2)(CH3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]N[5a]2)(CH3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	107.9547	0.780	8	107.9547	0.608	8	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CF3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	C(C[5a]N[5a]S[5a])(CF3)(OH)(H)	O(CC[5a]CH)(H)	H(CC[5a]CO)	108.6290	0.000	1	108.6290	0.000	1	108.1563	0.757	43	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	109.6520	0.000	1	109.6520	0.000	1	109.1510	2.650	7	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	112.1960	0.000	1	112.1960	0.000	1	109.1510	2.650	7	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	107.0810	0.000	1	107.0810	0.000	1	109.1510	2.650	7	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	108.8475	1.225	2	108.8475	1.502	2	109.1510	2.650	7	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	O(CC[5a]C[5]H)(H)	H(CC[5a]C[5]O)	108.7165	0.162	2	108.7165	0.026	2	109.1510	2.650	7	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	O(CC[5a]C[6]H)(H)	H(CC[5a]C[6]O)	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	O(CC[5a]C[6]H)(H)	H(CC[5a]C[6]O)	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[5a]-3:O-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(OCo3)(OH)(H)	O(CC[5a]HO)(H)	H(CC[5a]OO)	C(C[5a]C[5a]N[5a])(OCo3)(OH)(H)	O(CC[5a]HO)(H)	H(CC[5a]OO)	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	O(CC[6,6]CH)(H)	H(CC[6,6]CO)	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	O(CC[6,6]CH)(H)	H(CC[6,6]CO)	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(CCHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CCHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	106.0190	2.793	2	106.0190	7.801	2	108.2761	2.732	9	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.1655	0.159	2	109.1655	0.025	2	108.2761	2.732	9	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.8040	0.000	1	108.8040	0.000	1	108.2761	2.732	9	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.8300	0.641	2	108.8300	0.410	2	108.2761	2.732	9	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(CHHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CHHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.2460	0.000	1	109.2460	0.000	1	108.2761	2.732	9	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6])(CCCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.4060	0.000	1	108.4060	0.000	1	108.2761	2.732	9	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:N-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6])(NCuCH)(OH)(H)	O(CC[6]HN)(H)	H(CC[6]NO)	C(C[6]C[6]N[6])(NCuCH)(OH)(H)	O(CC[6]HN)(H)	H(CC[6]NO)	109.4080	0.000	1	109.4080	0.000	1	108.7220	0.354	3	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:N-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6])(NNiCH)(OH)(H)	O(CC[6]HN)(H)	H(CC[6]NO)	C(C[6]C[6]N[6])(NNiCH)(OH)(H)	O(CC[6]HN)(H)	H(CC[6]NO)	108.4060	0.000	1	108.4060	0.000	1	108.7220	0.354	3	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:N-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6])(NZnCC)(OH)(H)	O(CC[6]HN)(H)	H(CC[6]NO)	C(C[6]C[6]N[6])(NZnCC)(OH)(H)	O(CC[6]HN)(H)	H(CC[6]NO)	108.3520	0.000	1	108.3520	0.000	1	108.7220	0.354	3	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6]-3:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2)(PO3)(OH)(H)	O(CC[6]HP)(H)	H(CC[6]OP)	C(C[6]C[6]2)(PO3)(OH)(H)	O(CC[6]HP)(H)	H(CC[6]OP)	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	110.0590	0.000	1	110.0590	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.7410	0.000	1	108.7410	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.9330	0.000	1	108.9330	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.2260	0.000	1	107.2260	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.3360	0.740	3	108.3360	0.548	3	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2130	0.000	1	108.2130	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.7980	0.000	1	108.7980	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2950	0.698	4	108.2950	0.487	4	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.5530	0.000	1	107.5530	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2260	0.000	1	108.2260	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.5300	1.453	7	108.5300	2.110	7	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.9142	0.730	12	107.9142	0.533	12	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.3793	1.357	61	108.3793	1.841	61	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	110.3790	3.257	2	110.3790	10.608	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2948	1.239	5	108.2948	1.536	5	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.4290	0.000	1	108.4290	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCFF)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.9350	0.779	2	108.9350	0.607	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.0062	2.336	68	108.0062	5.455	68	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHI)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.1890	0.000	1	107.1890	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.6988	1.138	132	108.6988	1.295	132	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.6028	0.852	29	108.6028	0.727	29	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2067	0.988	4	108.2067	0.976	4	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.5697	1.035	10	108.5697	1.071	10	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2390	0.061	2	108.2390	0.004	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.5200	0.000	1	108.5200	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.6270	0.000	1	108.6270	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.3740	0.000	1	109.3740	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.1577	0.666	4	109.1577	0.443	4	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.9490	0.170	2	108.9490	0.029	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	106.5692	2.833	4	106.5692	8.025	4	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.5070	0.000	1	107.5070	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	111.2320	3.133	3	111.2320	9.813	3	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2820	0.000	1	108.2820	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	110.3487	2.363	3	110.3487	5.583	3	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.4059	1.318	18	108.4059	1.737	18	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.8990	0.000	1	108.8990	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2343	0.821	4	108.2343	0.674	4	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.1872	1.272	9	108.1872	1.618	9	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.2871	0.727	64	108.2871	0.529	64	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.6551	0.712	10	108.6551	0.507	10	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.0337	0.183	3	109.0337	0.034	3	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.6933	0.971	9	107.6933	0.943	9	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CClHP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClHP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.2607	0.082	3	109.2607	0.007	3	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CF3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	110.8950	0.000	1	110.8950	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CFFI)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CFFI)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.0050	0.000	1	108.0050	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CFFS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CFFS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.5270	0.000	1	108.5270	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.8884	1.217	47	108.8884	1.481	47	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHHI)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHI)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.8380	0.400	2	107.8380	0.160	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.5224	1.145	47	108.5224	1.311	47	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.7090	0.000	1	108.7090	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.8740	0.000	1	108.8740	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.9640	0.000	1	108.9640	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHOP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.3940	1.812	2	107.3940	3.282	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHSS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHSS)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.7325	0.275	2	108.7325	0.076	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.3800	0.598	2	109.3800	0.358	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.2275	0.016	2	109.2275	0.000	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.1960	0.000	2	109.1960	0.000	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.8895	0.073	2	108.8895	0.005	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.6852	1.003	5	109.6852	1.005	5	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.3820	0.000	1	109.3820	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.7840	0.000	1	108.7840	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	108.6360	0.000	1	108.6360	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]N[6a]2)(CC3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CC3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.0160	0.000	1	107.0160	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]N[6a]2)(CCCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.9370	0.000	1	107.9370	0.000	1	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]N[6a]2)(CH3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CH3)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	109.1245	0.472	2	109.1245	0.222	2	108.5014	1.843	619	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[3]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	107.0070	0.000	1	107.0070	0.000	1	108.3220	1.317	3	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[3]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	108.9795	0.202	2	108.9795	0.041	2	108.3220	1.317	3	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[4]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2C)(OH)(H)	O(CC[6a]C[4]H)(H)	H(CC[6a]C[4]O)	C(C[6a]C[6a]2)(C[4]C[4]2C)(OH)(H)	O(CC[6a]C[4]H)(H)	H(CC[6a]C[4]O)	108.0760	0.000	1	108.0760	0.000	1	108.7923	0.419	3	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[4]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2H)(OH)(H)	O(CC[6a]C[4]H)(H)	H(CC[6a]C[4]O)	C(C[6a]C[6a]2)(C[4]C[4]2H)(OH)(H)	O(CC[6a]C[4]H)(H)	H(CC[6a]C[4]O)	109.1505	0.261	2	109.1505	0.068	2	108.7923	0.419	3	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]C)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]C)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	107.5500	0.000	1	107.5500	0.000	1	108.1997	0.903	28	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.9460	0.000	1	108.9460	0.000	1	108.1997	0.903	28	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	107.4597	1.193	7	107.4597	1.423	7	108.1997	0.903	28	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.5717	0.755	16	108.5717	0.570	16	108.1997	0.903	28	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	107.9705	0.030	2	107.9705	0.001	2	108.1997	0.903	28	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	107.7890	0.000	1	107.7890	0.000	1	108.1997	0.903	28	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	108.8215	0.532	13	108.8215	0.283	13	108.7341	0.879	40	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	107.6820	0.000	1	107.6820	0.000	1	108.7341	0.879	40	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	108.7308	1.089	26	108.7308	1.187	26	108.7341	0.879	40	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(PC3)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC3)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	110.4330	0.000	1	110.4330	0.000	1	109.2940	1.596	27	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	108.5215	0.555	2	108.5215	0.308	2	109.2940	1.596	27	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	108.7935	1.402	6	108.7935	1.964	6	109.2940	1.596	27	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	108.8905	1.315	2	108.8905	1.728	2	109.2940	1.596	27	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(PHOO)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PHOO)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	110.9010	0.000	1	110.9010	0.000	1	109.2940	1.596	27	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(PO3)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PO3)(OH)(H)	O(CC[6a]HP)(H)	H(CC[6a]OP)	109.4679	1.261	15	109.4679	1.591	15	109.2940	1.596	27	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:P[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(OH)(H)	O(CC[6a]P[6]H)(H)	H(CC[6a]P[6]O)	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(OH)(H)	O(CC[6a]P[6]H)(H)	H(CC[6a]P[6]O)	106.2290	0.000	1	106.2290	0.000	1	108.0973	1.865	4	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:P[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	O(CC[6a]P[6]H)(H)	H(CC[6a]P[6]O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	O(CC[6a]P[6]H)(H)	H(CC[6a]P[6]O)	108.7200	0.686	3	108.7200	0.471	3	108.0973	1.865	4	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	C[6a]-3:Si-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	O(CC[6a]SiH)(H)	H(CC[6a]SiO)	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	O(CC[6a]SiH)(H)	H(CC[6a]SiO)	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:1:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	O(CN[5a]CH)(H)	H(CN[5a]CO)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	O(CN[5a]CH)(H)	H(CN[5a]CO)	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	108.5158	1.706	841	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CCHH)(OO)(H)	O(CC[6a]CH)(OC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OO)(H)	O(CC[6a]CH)(OC)	H(CC[6a]CO)	109.4880	0.267	2	109.4880	0.071	2	109.3263	0.114	3	109.3263	0.114	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CHHS)(OO)(H)	O(CC[6a]CH)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHS)(OO)(H)	O(CC[6a]CH)(OH)	H(CC[6a]CO)	109.0030	0.000	1	109.0030	0.000	1	109.3263	0.114	3	109.3263	0.114	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(C[6]C[6]N[6])(CH3)(ON)(H)	O(CC[6]CH)(NCC)	H(CC[6]CO)	C(C[6]C[6]N[6])(CH3)(ON)(H)	O(CC[6]CH)(NCC)	H(CC[6]CO)	109.0780	0.298	2	109.0780	0.089	2	109.0780	0.089	2	109.0224	0.172	20	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CCHH)(ON)(H)	O(CC[6a]CH)(NCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	O(CC[6a]CH)(NCH)	H(CC[6a]CO)	108.7490	0.000	1	108.7490	0.000	1	109.0162	0.186	18	109.0224	0.172	20	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CCHH)(ON)(H)	O(CC[6a]CH)(NC[6a]C)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	O(CC[6a]CH)(NC[6a]C)	H(CC[6a]CO)	108.8640	0.000	1	108.8640	0.000	1	109.0162	0.186	18	109.0224	0.172	20	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CH3)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	108.9440	0.351	7	108.9440	0.123	7	109.0162	0.186	18	109.0224	0.172	20	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CHHN)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	109.0765	0.910	2	109.0765	0.828	2	109.0162	0.186	18	109.0224	0.172	20	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	109.2365	0.649	4	109.2365	0.421	4	109.0162	0.186	18	109.0224	0.172	20	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CC[6a]CH)(NC[3x6]2)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CC[6a]CH)(NC[3x6]2)	H(CC[6a]CO)	109.0190	0.000	1	109.0190	0.000	1	109.0162	0.186	18	109.0224	0.172	20	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	108.9320	0.000	1	108.9320	0.000	1	109.0162	0.186	18	109.0224	0.172	20	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	O(CC[6a]CH)(NCC)	H(CC[6a]CO)	109.0200	0.000	1	109.0200	0.000	1	109.0162	0.186	18	109.0224	0.172	20	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]O)(CCHH)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CC[6a]O)(CCHH)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	108.3940	0.000	2	108.3940	0.000	2	108.3667	0.002	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CSnC)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CSnC)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.3120	0.000	1	108.3120	0.000	1	108.3667	0.002	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CC[6a]O)(CCCH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CC[6a]O)(CCCH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.3310	0.174	2	108.3310	0.030	2	108.3310	0.030	2	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C-3:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CC[5]H)(CHHO)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	C(CC[5]H)(CHHO)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[4]-3:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(C[4]C[4]2)(CH3)(OP)(H)	O(PC[6a]OO)(CC[4]CH)	H(CC[4]CO)	C(C[4]C[4]2)(CH3)(OP)(H)	O(PC[6a]OO)(CC[4]CH)	H(CC[4]CO)	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2)(CC3)(OC)(H)	O(CC[5]CH)(CCHH)	H(CC[5]CO)	C(C[5]C[5]2)(CC3)(OC)(H)	O(CC[5]CH)(CCHH)	H(CC[5]CO)	108.1820	0.000	1	108.1820	0.000	1	108.5893	0.305	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2)(CC3)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]2)(CC3)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	108.3680	0.000	1	108.3680	0.000	1	108.5893	0.305	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	109.2180	0.000	1	109.2180	0.000	1	108.5893	0.305	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5]-3:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(C[5]N[5]O[5])(CC3)(OP)(H)	O(PC[6a]2Ir)(CC[5]CH)	H(CC[5]CO)	C(C[5]N[5]O[5])(CC3)(OP)(H)	O(PC[6a]2Ir)(CC[5]CH)	H(CC[5]CO)	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5]-3:C[5]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	O(CC[6a]HH)(CC[5]2H)	H(CC[5]2O)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	O(CC[6a]HH)(CC[5]2H)	H(CC[5]2O)	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	O(CC[5a]CH)(CHHO)	H(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	O(CC[5a]CH)(CHHO)	H(CC[5a]CO)	108.1490	0.000	1	108.1490	0.000	1	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]2)(CCHH)(OC)(H)	O(CC[5a]CH)(CCCH)	H(CC[5a]CO)	C(C[5a]C[5a]2)(CCHH)(OC)(H)	O(CC[5a]CH)(CCCH)	H(CC[5a]CO)	108.1650	0.000	1	108.1650	0.000	1	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	O(CC[5a]CH)(CC[6a]CC)	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	O(CC[5a]CH)(CC[6a]CC)	H(CC[5a]CO)	108.6940	0.000	1	108.6940	0.000	1	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	O(CC[5a]CH)(CC[6a]HH)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	O(CC[5a]CH)(CC[6a]HH)	H(CC[5a]CO)	108.6920	0.000	1	108.6920	0.000	1	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	O(CC[5a]CH)(CCHH)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	O(CC[5a]CH)(CCHH)	H(CC[5a]CO)	108.7090	0.000	1	108.7090	0.000	1	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	O(CC[5a]CH)(CC[6a]HH)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	O(CC[5a]CH)(CC[6a]HH)	H(CC[5a]CO)	109.3484	0.432	5	109.3484	0.187	5	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	O(CC[5a]CH)(CCHH)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	O(CC[5a]CH)(CCHH)	H(CC[5a]CO)	109.0210	0.000	1	109.0210	0.000	1	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]S[5a])(CH3)(OC)(H)	O(CC[5a]CH)(CHHO)	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(CH3)(OC)(H)	O(CC[5a]CH)(CHHO)	H(CC[5a]CO)	108.3590	0.000	1	108.3590	0.000	1	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	O(CC[5a]CH)(CH3)	H(CC[5a]CO)	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	O(CC[5a]CH)(CH3)	H(CC[5a]CO)	111.5190	0.000	1	111.5190	0.000	1	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]N[5a]2)(CH3)(OC)(H)	O(CC[5a]CH)(CC[6a]CH)	H(CC[5a]CO)	C(C[5a]N[5a]2)(CH3)(OC)(H)	O(CC[5a]CH)(CC[6a]CH)	H(CC[5a]CO)	109.4130	0.000	1	109.4130	0.000	1	109.1045	0.756	14	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	O(CC[5a]C[5]H)(CH3)	H(CC[5a]C[5]O)	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	O(CC[5a]C[5]H)(CH3)	H(CC[5a]C[5]O)	107.8390	0.538	3	107.8390	0.289	3	107.8390	0.289	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	108.4800	0.000	1	108.4800	0.000	1	108.9473	0.117	6	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	109.1425	0.250	2	109.1425	0.062	2	108.9473	0.117	6	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	108.7855	0.129	2	108.7855	0.017	2	108.9473	0.117	6	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(CH3)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]N[6])(CH3)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	109.3480	0.000	1	109.3480	0.000	1	108.9473	0.117	6	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2)(CCHH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	109.1945	0.723	2	109.1945	0.523	2	109.1945	0.523	2	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[5]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(C[5]C[5]2Mn)(OC)(H)	O(CC[5]C[6]H)(CCHH)	H(CC[5]C[6]O)	C(C[6]C[6]N[6])(C[5]C[5]2Mn)(OC)(H)	O(CC[5]C[6]H)(CCHH)	H(CC[5]C[6]O)	109.3625	0.210	2	109.3625	0.044	2	109.3625	0.044	2	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6]-3:N-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(NCoCH)(OC)(H)	O(CC[6]HN)(CH3)	H(CC[6]NO)	C(C[6]C[6]N[6])(NCoCH)(OC)(H)	O(CC[6]HN)(CH3)	H(CC[6]NO)	108.7370	0.000	1	108.7370	0.000	1	107.5325	12.187	4	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6]-3:N-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(NCuCH)(OC)(H)	O(CC[6]HN)(CCHH)	H(CC[6]NO)	C(C[6]C[6]N[6])(NCuCH)(OC)(H)	O(CC[6]HN)(CCHH)	H(CC[6]NO)	108.4840	0.000	1	108.4840	0.000	1	107.5325	12.187	4	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6]-3:N-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6])(NNiCH)(OC)(H)	O(CC[6]HN)(CH3)	H(CC[6]NO)	C(C[6]C[6]N[6])(NNiCH)(OC)(H)	O(CC[6]HN)(CH3)	H(CC[6]NO)	106.4545	5.646	2	106.4545	31.880	2	107.5325	12.187	4	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	O(CC[6a]CH)(CHHO)	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	O(CC[6a]CH)(CHHO)	H(CC[6a]CO)	108.3960	0.000	1	108.3960	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CC[6a]CO)	108.5190	0.092	2	108.5190	0.008	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	109.1915	0.687	2	109.1915	0.471	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	109.1960	0.011	2	109.1960	0.000	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	107.5700	0.000	1	107.5700	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[5a]CH)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[5a]CH)(CC[6a]CH)	H(CC[6a]CO)	108.9910	0.000	1	108.9910	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[5a]HH)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[5a]HH)(CC[6a]CH)	H(CC[6a]CO)	108.7600	0.000	1	108.7600	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	109.1280	0.000	1	109.1280	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	109.0623	0.217	6	109.0623	0.047	6	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	109.4400	0.133	2	109.4400	0.018	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	109.1050	0.274	3	109.1050	0.075	3	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CHHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	O(CC[6a]CH)(CHHO)	H(CC[6a]CO)	107.9490	0.000	1	107.9490	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	108.8070	0.148	6	108.8070	0.022	6	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	108.5805	0.194	4	108.5805	0.038	4	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CC[6a]CO)	109.0920	0.000	1	109.0920	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	108.5005	0.086	2	108.5005	0.007	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	108.9945	0.223	2	108.9945	0.050	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	108.5040	0.102	2	108.5040	0.010	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]CO)	108.3225	0.800	2	108.3225	0.640	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	110.1910	0.000	1	110.1910	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	107.8040	0.000	1	107.8040	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	109.2800	0.000	1	109.2800	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	O(CC[6a]CH)(CHHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	O(CC[6a]CH)(CHHO)	H(CC[6a]CO)	109.6860	0.000	1	109.6860	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	108.9183	0.248	3	108.9183	0.062	3	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CC[6a]CO)	108.1520	0.000	1	108.1520	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	108.4240	0.000	1	108.4240	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	107.9555	0.773	4	107.9555	0.597	4	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	109.0535	0.151	2	109.0535	0.023	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CC[6a]CO)	111.8800	0.000	1	111.8800	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	109.7797	2.297	8	109.7797	5.274	8	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[3]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[3]HH)	H(CC[6a]CO)	108.6830	0.000	1	108.6830	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	109.1819	1.679	10	109.1819	2.819	10	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	108.2835	0.047	2	108.2835	0.002	2	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(OC)(H)	O(CC[6a]CH)(CC[3]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OC)(H)	O(CC[6a]CH)(CC[3]HH)	H(CC[6a]CO)	108.4240	0.000	1	108.4240	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	H(CC[6a]CO)	109.1890	0.000	1	109.1890	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	108.0607	2.185	3	108.0607	4.775	3	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	108.5760	0.000	1	108.5760	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]2C)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]2C)(CC[6a]CH)	H(CC[6a]CO)	109.5260	0.000	1	109.5260	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	108.1500	0.000	1	108.1500	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	109.3900	0.000	1	109.3900	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	O(CC[6a]CH)2	H(CC[6a]CO)	109.3850	0.000	1	109.3850	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHS)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	108.5670	0.000	1	108.5670	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	108.7550	0.000	1	108.7550	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	O(CC[5a]HH)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	O(CC[5a]HH)(CC[6a]CH)	H(CC[6a]CO)	110.9080	0.000	1	110.9080	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	109.7740	1.004	4	109.7740	1.008	4	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	O(CC[5a]HH)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	O(CC[5a]HH)(CC[6a]CH)	H(CC[6a]CO)	108.8650	0.000	1	108.8650	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	O(CC[6a]CH)(CCHH)	H(CC[6a]CO)	109.2370	0.000	1	109.2370	0.000	1	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	H(CC[6a]CO)	109.2865	0.527	21	109.2865	0.278	21	109.0315	1.081	119	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Ge-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	O(CC[6a]CH)(GeO3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	O(CC[6a]CH)(GeO3)	H(CC[6a]CO)	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(OP)(H)	O(CC[6a]CH)(PO3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OP)(H)	O(CC[6a]CH)(PO3)	H(CC[6a]CO)	109.5420	0.000	1	109.5420	0.000	1	109.4101	0.046	7	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OP)(H)	O(CC[6a]CH)(PO3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	O(CC[6a]CH)(PO3)	H(CC[6a]CO)	109.4264	0.231	5	109.4264	0.053	5	109.4101	0.046	7	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OP)(H)	O(CC[6a]CH)(PC[6a]SS)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OP)(H)	O(CC[6a]CH)(PC[6a]SS)	H(CC[6a]CO)	109.1970	0.000	1	109.1970	0.000	1	109.4101	0.046	7	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(C[6a]C[6a]2)(CCl3)(OS)(H)	O(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl3)(OS)(H)	O(CC[6a]CH)(SC[6a]OO)	H(CC[6a]CO)	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	108.6167	0.538	3	108.6167	0.290	3	108.7505	0.872	19	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	109.3963	0.241	3	109.3963	0.058	3	108.7505	0.872	19	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	O(CC[6a]CH)(SiCCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	O(CC[6a]CH)(SiCCO)	H(CC[6a]CO)	108.8717	0.594	3	108.8717	0.353	3	108.7505	0.872	19	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	O(CC[6a]CH)(SiSi3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	O(CC[6a]CH)(SiSi3)	H(CC[6a]CO)	108.9510	0.000	1	108.9510	0.000	1	108.7505	0.872	19	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	109.5137	1.212	3	109.5137	1.470	3	108.7505	0.872	19	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	108.5520	0.000	1	108.5520	0.000	1	108.7505	0.872	19	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	108.0100	0.000	1	108.0100	0.000	1	108.7505	0.872	19	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	107.3820	0.890	3	107.3820	0.792	3	108.7505	0.872	19	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]N[6a]2)(CH3)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CH3)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	109.4060	0.000	1	109.4060	0.000	1	108.7505	0.872	19	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	H(CC[6a]CO)	109.0685	0.117	2	109.0685	0.014	2	109.9313	2.240	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	O(C[6]C[6]O[6]C)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	O(C[6]C[6]O[6]C)(CC[6a]CH)	H(CC[6a]CO)	111.6570	0.000	1	111.6570	0.000	1	109.9313	2.240	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OP)(H)	O(PC[6a]2Ru)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	O(PC[6a]2Ru)(CC[6a]CH)	H(CC[6a]CO)	108.1910	0.000	1	108.1910	0.000	1	108.7033	1.371	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	O(PC[6a]2Ru)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	O(PC[6a]2Ru)(CC[6a]CH)	H(CC[6a]CO)	108.9595	1.532	2	108.9595	2.348	2	108.7033	1.371	3	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	O(SiC[6a]CC)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	O(SiC[6a]CC)(CC[6a]CH)	H(CC[6a]CO)	109.6650	0.000	1	109.6650	0.000	1	109.2285	0.381	2	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	O(SiC[6a]CC)(CC[6a]CH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	O(SiC[6a]CC)(CC[6a]CH)	H(CC[6a]CO)	108.7920	0.000	1	108.7920	0.000	1	109.2285	0.381	2	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[3]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(OC)(H)	O(CC[6a]C[3]H)2	H(CC[6a]C[3]O)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OC)(H)	O(CC[6a]C[3]H)2	H(CC[6a]C[3]O)	107.3810	0.000	1	107.3810	0.000	1	107.3810	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	O(CC[6a]C[6]H)(CCCH)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	O(CC[6a]C[6]H)(CCCH)	H(CC[6a]C[6]O)	108.9530	0.645	2	108.9530	0.416	2	108.4824	0.313	5	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	O(CC[6a]C[6]H)(CCHH)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	O(CC[6a]C[6]H)(CCHH)	H(CC[6a]C[6]O)	107.9300	0.000	1	107.9300	0.000	1	108.4824	0.313	5	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	O(CC[6a]C[6]H)(CH3)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	O(CC[6a]C[6]H)(CH3)	H(CC[6a]C[6]O)	108.2880	0.113	2	108.2880	0.013	2	108.4824	0.313	5	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	O(CC[6a]C[6]H)(SiCCN)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	O(CC[6a]C[6]H)(SiCCN)	H(CC[6a]C[6]O)	108.8490	0.000	1	108.8490	0.000	1	108.5030	0.239	2	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	O(CC[6a]C[6]H)(SiSi3)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	O(CC[6a]C[6]H)(SiSi3)	H(CC[6a]C[6]O)	108.1570	0.000	1	108.1570	0.000	1	108.5030	0.239	2	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:B-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	O(CC[6a]HP)(BC[6a]3)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	O(CC[6a]HP)(BC[6a]3)	H(CC[6a]OP)	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6a]C[6a]2)(PCCH)(OC)(H)	O(CC[6a]HH)(CC[6a]HP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PCCH)(OC)(H)	O(CC[6a]HH)(CC[6a]HP)	H(CC[6a]OP)	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	C[6a]-3:P-4:O-2:H-1:	C-4:P-4:	C-4:	C(C[6a]C[6a]2)(PCCS)(OP)(H)	O(CC[6a]HP)(PCCS)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PCCS)(OP)(H)	O(CC[6a]HP)(PCCS)	H(CC[6a]OP)	107.3590	0.000	1	107.3590	0.000	1	107.3590	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	N-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(NC[6a]S)(CCCH)(OC)(H)	O(CCHH)(CCHN)	H(CCNO)	C(NC[6a]S)(CCCH)(OC)(H)	O(CCHH)(CCHN)	H(CCNO)	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	N[5]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(OC)(H)	O(CN[5]CH)(CH3)	H(CN[5]CO)	C(N[5]C[5]N[5])(CHHO)(OC)(H)	O(CN[5]CH)(CH3)	H(CN[5]CO)	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	N[5]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(N[5]C[5]2)(CCHH)(OSi)(H)	O(CN[5]CH)(SiC3)	H(CN[5]CO)	C(N[5]C[5]2)(CCHH)(OSi)(H)	O(CN[5]CH)(SiC3)	H(CN[5]CO)	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	O(CN[5a]CC)(CN[5a]CH)	H(CN[5a]CO)	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	O(CN[5a]CC)(CN[5a]CH)	H(CN[5a]CO)	109.9070	0.027	2	109.9070	0.001	2	109.9070	0.001	2	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	O(CN[5a]CH)(SiC3)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	O(CN[5a]CH)(SiC3)	H(CN[5a]CO)	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	N[6]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(N[6]C[6]N[6])(CCHH)(OC)(H)	O(CN[6]CH)(CH3)	H(CN[6]CO)	C(N[6]C[6]N[6])(CCHH)(OC)(H)	O(CN[6]CH)(CH3)	H(CN[6]CO)	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	3:4:2:1:	4:4:	4:	N[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(N[6a]C[6a]2)(CCHI)(OC)(H)	O(CN[6a]CH)(CCHH)	H(CN[6a]CO)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	O(CN[6a]CH)(CCHH)	H(CN[6a]CO)	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	108.9555	1.189	218	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:	C-4:	C(CC[6a]HO)(ON[5])(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	C(CC[6a]HO)(ON[5])(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	110.0090	0.013	2	110.0090	0.000	2	110.2168	0.058	4	109.8533	3.935	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:	C-4:	C(CN[6]HH)(ON[5])(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	C(CN[6]HH)(ON[5])(H)2	O(N[5]C[5]2)(CCHH)	H(CCHO)	110.4245	0.043	2	110.4245	0.002	2	110.2168	0.058	4	109.8533	3.935	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:	C-4:	C(CC[5]HO)(ON[6])(H)2	O(N[6]C[6]2)(CCHH)	H(CCHO)	C(CC[5]HO)(ON[6])(H)2	O(N[6]C[6]2)(CCHH)	H(CCHO)	110.9800	0.035	2	110.9800	0.001	2	110.9800	0.001	2	109.8533	3.935	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	P-3:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[5]O)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[5]O)(CCHH)	H(CCHO)	108.9826	3.889	7	108.9826	15.123	7	109.4010	6.663	15	109.8533	3.935	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	P-3:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[5x3,5x5,20x6]C[5])(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[5x3,5x5,20x6]C[5])(CCHH)	H(CCHO)	109.6980	0.110	4	109.6980	0.012	4	109.4010	6.663	15	109.8533	3.935	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	3:4:	4:	C-4:O-2:H-1:H-1:	P-3:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]O)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]O)(CCHH)	H(CCHO)	109.8363	0.241	4	109.8363	0.058	4	109.4010	6.663	15	109.8533	3.935	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	N[6]-3:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	O(N[6]C[6]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	O(N[6]C[6]2)(CC[5]HH)	H(CC[5]HO)	110.5005	0.009	2	110.5005	0.000	2	110.3662	0.225	6	109.8533	3.935	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	N[6]-3:C-4:	C-4:	C(C[5]C[5]2H)(ON[6])(H)2	O(N[6]C[6]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2H)(ON[6])(H)2	O(N[6]C[6]2)(CC[5]HH)	H(CC[5]HO)	109.7815	0.011	2	109.7815	0.000	2	110.3662	0.225	6	109.8533	3.935	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	3:4:	4:	C[5]-4:O-2:H-1:H-1:	N[6]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(ON[6])(H)2	O(N[6]C[6]2)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(ON[6])(H)2	O(N[6]C[6]2)(CC[5]HH)	H(CC[5]HO)	110.8165	0.011	2	110.8165	0.000	2	110.3662	0.225	6	109.8533	3.935	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CAs[5,5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CAs[5,5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	110.0425	0.005	2	110.0425	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CBrCH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CBrCH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3612	0.487	9	109.3612	0.238	9	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0998	1.179	78	109.0998	1.390	78	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCCH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1635	0.908	110	109.1635	0.824	110	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCCN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCCN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.2726	0.896	365	109.2726	0.803	365	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCCO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCCO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1679	0.501	12	109.1679	0.251	12	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCFF)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCFF)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6495	0.166	34	109.6495	0.028	34	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCFH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCFH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3030	0.130	4	109.3030	0.017	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCHH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCHH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.2580	1.067	615	109.2580	1.139	615	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCHI)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCHI)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3390	0.000	1	109.3390	0.000	1	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3528	1.034	510	109.3528	1.070	510	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCHO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1473	1.087	271	109.1473	1.182	271	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCHP)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCHP)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.7880	0.517	4	109.7880	0.267	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[3]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[3]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3297	0.492	3	109.3297	0.242	3	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[3]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[3]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1840	0.008	2	109.1840	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[3]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[3]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6710	0.457	4	109.6710	0.209	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.8135	0.319	2	109.8135	0.102	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[3x5,6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[3x5,6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6037	0.355	3	109.6037	0.126	3	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[3x6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[3x6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.9730	0.020	2	109.9730	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[4,5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[4,5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1430	0.000	1	109.1430	0.000	1	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[4,5]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[4,5]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6100	0.153	4	109.6100	0.023	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[4]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[4]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0270	0.996	2	109.0270	0.991	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5,5]C[6a]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5,5]C[6a]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3735	0.006	2	109.3735	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5,5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5,5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.6315	0.019	2	108.6315	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5,6]CO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5,6]CO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1403	0.566	4	109.1403	0.320	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5,6]C[6a]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5,6]C[6a]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4460	0.000	1	109.4460	0.000	1	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5,6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5,6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3885	6.616	2	109.3885	43.777	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5,6]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5,6]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.8880	0.135	6	109.8880	0.018	6	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.6587	0.168	6	108.6587	0.028	6	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3669	0.406	36	109.3669	0.165	36	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5]CN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5]CN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4305	0.026	2	109.4305	0.001	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5]CO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5]CO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.2759	0.453	12	109.2759	0.206	12	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.2068	1.336	61	109.2068	1.785	61	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5]HN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5]HN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6166	0.585	12	109.6166	0.342	12	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3296	0.915	104	109.3296	0.837	104	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5a]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5a]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0945	0.009	2	109.0945	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5a]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5a]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0700	0.081	2	109.0700	0.006	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5a]C[6a]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.7130	0.020	2	108.7130	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5a]C[6a]N)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5a]C[6a]N)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.5010	0.021	2	108.5010	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[5a]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[5a]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4008	0.204	13	109.4008	0.042	13	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6,6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6,6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.2759	1.442	12	109.2759	2.078	12	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4204	1.670	28	109.4204	2.789	28	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6]CO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6]CO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0398	0.448	6	109.0398	0.201	6	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4164	1.374	57	109.4164	1.888	57	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6]HN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6]HN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.9365	0.114	4	109.9365	0.013	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3908	0.340	44	109.3908	0.115	44	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.6860	0.898	4	108.6860	0.806	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.9120	0.037	2	108.9120	0.001	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]CF)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]CF)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1815	0.344	4	109.1815	0.118	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6591	0.603	28	109.6591	0.363	28	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]CO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]CO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.3487	1.559	12	108.3487	2.431	12	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]C[5]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]C[5]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	110.0030	0.052	2	110.0030	0.003	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4653	0.950	41	109.4653	0.903	41	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4689	1.302	72	109.4689	1.694	72	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]HO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0903	0.672	6	109.0903	0.452	6	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]HS)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]HS)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3775	0.023	2	109.3775	0.001	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]N[5]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]N[5]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.5148	0.668	18	109.5148	0.446	18	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CC[6a]N[6]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CC[6a]N[6]H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6116	0.492	8	109.6116	0.242	8	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CClCC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CClCC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.9612	0.087	5	108.9612	0.008	5	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CClCH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CClCH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0442	0.490	18	109.0442	0.240	18	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CCo2C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CCo2C)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4065	0.008	2	109.4065	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CF3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CF3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.5479	0.492	36	109.5479	0.242	36	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CFFH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CFFH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.8038	0.349	6	109.8038	0.122	6	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CFFO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CFFO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.5507	0.092	3	109.5507	0.008	3	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CH3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CH3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.9371	2.009	1741	108.9371	4.037	1741	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CHHN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CHHN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3822	1.088	834	109.3822	1.183	834	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CHHO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CHHO)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0973	1.027	308	109.0973	1.056	308	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CHHP)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CHHP)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.0984	0.554	8	109.0984	0.306	8	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CHHS)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CHHS)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.6138	1.112	37	109.6138	1.238	37	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CHNN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CHNN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4265	0.023	2	109.4265	0.001	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	111.0220	3.194	4	111.0220	10.204	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5]2H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5]2H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.8570	0.000	1	109.8570	0.000	1	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5]3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5]3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4615	0.297	8	109.4615	0.088	8	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1082	1.629	4	109.1082	2.655	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.3805	2.015	17	109.3805	4.059	17	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1965	1.295	123	109.1965	1.677	123	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5a]2H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5a]2H)(OH)(H)2	O(CCHH)(H)	H(CCHO)	110.2945	1.788	2	110.2945	3.198	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5a]3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5a]3)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.5018	0.039	4	109.5018	0.002	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5a]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5a]CC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.7799	1.323	8	109.7799	1.749	8	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5a]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5a]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.5624	1.040	16	109.5624	1.083	16	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5a]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5a]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4086	0.691	59	109.4086	0.477	59	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[5a]NN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[5a]NN)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.7335	0.029	2	109.7335	0.001	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[6,6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[6,6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.7580	0.020	2	109.7580	0.000	2	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[6]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[6]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.4478	0.412	11	109.4478	0.170	11	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[6]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.5171	0.855	94	109.5171	0.731	94	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[6a]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[6a]CH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	108.9383	0.281	3	108.9383	0.079	3	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CN[6a]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CN[6a]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.2577	0.727	15	109.2577	0.529	15	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CP[5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CP[5]HH)(OH)(H)2	O(CCHH)(H)	H(CCHO)	110.2692	0.119	4	110.2692	0.014	4	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(CPdCC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	C(CPdCC)(OH)(H)2	O(CCHH)(H)	H(CCHO)	109.1197	0.512	6	109.1197	0.262	6	109.2012	1.963	6042	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:O-1:	C-4:H-1:	C-4:	C(CCHN)(OH)(H)(O)	O(CCHO)(H)	H(CCOO)	C(CCHN)(OH)(H)(O)	O(CCHO)(H)	H(CCOO)	90.8691	0.603	4	90.8691	0.364	4	92.5795	14.902	5	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C-4:O-2:H-1:O-1:	C-4:H-1:	C-4:	C(CN[5a]HH)(OH)(H)(O)	O(CCHO)(H)	H(CCOO)	C(CN[5a]HH)(OH)(H)(O)	O(CCHO)(H)	H(CCOO)	99.4214	0.000	1	99.4214	0.000	1	92.5795	14.902	5	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(OH)(H)2	O(CC[3,5]HH)(H)	H(CC[3,5]HO)	C(C[3,5]C[3,5]C[3]C[5])(OH)(H)2	O(CC[3,5]HH)(H)	H(CC[3,5]HO)	109.5758	0.308	6	109.5758	0.095	6	109.5098	0.101	12	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	O(CC[3,5]HH)(H)	H(CC[3,5]HO)	C(C[3,5]C[3,5]C[3]O[5])(OH)(H)2	O(CC[3,5]HH)(H)	H(CC[3,5]HO)	109.4438	0.343	6	109.4438	0.118	6	109.5098	0.101	12	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3,6]C[3,5,6]C[6]O[3])(OH)(H)2	O(CC[3,6]HH)(H)	H(CC[3,6]HO)	C(C[3,6]C[3,5,6]C[6]O[3])(OH)(H)2	O(CC[3,6]HH)(H)	H(CC[3,6]HO)	108.5815	0.045	2	108.5815	0.002	2	108.9137	0.148	4	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(OH)(H)2	O(CC[3,6]HH)(H)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]O[3])(OH)(H)2	O(CC[3,6]HH)(H)	H(CC[3,6]HO)	109.2460	0.014	2	109.2460	0.000	2	108.9137	0.148	4	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3]C[3,6]2C)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	C(C[3]C[3,6]2C)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	110.5730	0.018	2	110.5730	0.000	2	109.5495	0.892	30	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3]C[3,6]C[3]H)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	C(C[3]C[3,6]C[3]H)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	109.4255	2.083	6	109.4255	4.340	6	109.5495	0.892	30	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2C)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	C(C[3]C[3]2C)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	109.1240	0.000	1	109.1240	0.000	1	109.5495	0.892	30	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	C(C[3]C[3]2H)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	109.5118	0.321	18	109.5118	0.103	18	109.5495	0.892	30	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]N[3]H)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	C(C[3]C[3]N[3]H)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	109.5520	0.000	1	109.5520	0.000	1	109.5495	0.892	30	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]C)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	C(C[3]C[3]O[3]C)(OH)(H)2	O(CC[3]HH)(H)	H(CC[3]HO)	109.4495	0.035	2	109.4495	0.001	2	109.5495	0.892	30	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3x4,3x6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(OH)(H)2	O(CC[3x4,3x6]HH)(H)	H(CC[3x4,3x6]HO)	C(C[3x4,3x6]C[3x4,3x6]3)(OH)(H)2	O(CC[3x4,3x6]HH)(H)	H(CC[3x4,3x6]HO)	109.4785	0.421	4	109.4785	0.177	4	109.4785	0.177	4	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3x5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3x5,6]C[5,5,6]2O[5,5])(OH)(H)2	O(CC[3x5,6]HH)(H)	H(CC[3x5,6]HO)	C(C[3x5,6]C[5,5,6]2O[5,5])(OH)(H)2	O(CC[3x5,6]HH)(H)	H(CC[3x5,6]HO)	109.1402	0.228	4	109.1402	0.052	4	109.1402	0.052	4	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	108.4677	0.109	4	108.4677	0.012	4	108.2873	2.139	36	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	109.9965	0.026	2	109.9965	0.001	2	108.2873	2.139	36	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	C(C[3x6]C[6,6,6a]2C[5,6,6])(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	109.8822	0.437	4	109.8822	0.191	4	108.2873	2.139	36	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	106.4115	0.652	12	106.4115	0.426	12	108.2873	2.139	36	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3x6]C[6,6]3)(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	109.1467	0.290	12	109.1467	0.084	12	108.2873	2.139	36	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	O(CC[3x6]HH)(H)	H(CC[3x6]HO)	109.1265	0.135	2	109.1265	0.018	2	108.2873	2.139	36	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4,4,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4,4,5]C[4,4,5]C[4,4,6]C[4,5])(OH)(H)2	O(CC[4,4,5]HH)(H)	H(CC[4,4,5]HO)	C(C[4,4,5]C[4,4,5]C[4,4,6]C[4,5])(OH)(H)2	O(CC[4,4,5]HH)(H)	H(CC[4,4,5]HO)	113.5190	2.455	2	113.5190	6.027	2	113.5190	6.027	2	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4,5]C[4,5]2S[5])(OH)(H)2	O(CC[4,5]HH)(H)	H(CC[4,5]HO)	C(C[4,5]C[4,5]2S[5])(OH)(H)2	O(CC[4,5]HH)(H)	H(CC[4,5]HO)	110.0475	0.390	11	110.0475	0.152	11	109.8648	0.174	17	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4,5]C[4,5]C[4]N[5])(OH)(H)2	O(CC[4,5]HH)(H)	H(CC[4,5]HO)	C(C[4,5]C[4,5]C[4]N[5])(OH)(H)2	O(CC[4,5]HH)(H)	H(CC[4,5]HO)	109.4428	0.211	4	109.4428	0.045	4	109.8648	0.174	17	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(OH)(H)2	O(CC[4,5]HH)(H)	H(CC[4,5]HO)	C(C[4,5]C[4,5]C[4]O[5])(OH)(H)2	O(CC[4,5]HH)(H)	H(CC[4,5]HO)	109.7035	0.022	2	109.7035	0.000	2	109.8648	0.174	17	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4,6]C[4,6,6]2C)(OH)(H)2	O(CC[4,6]HH)(H)	H(CC[4,6]HO)	C(C[4,6]C[4,6,6]2C)(OH)(H)2	O(CC[4,6]HH)(H)	H(CC[4,6]HO)	109.3682	0.648	5	109.3682	0.420	5	109.3682	0.420	5	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[3,4]C[4,5]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[3,4]C[4,5]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	110.0790	0.174	4	110.0790	0.030	4	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4,5]C[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4,5]C[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.7890	0.027	2	109.7890	0.001	2	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4,5]C[4]O)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4,5]C[4]O)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.6530	0.020	2	109.6530	0.000	2	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4,6,6]C[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4,6,6]C[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.5060	0.000	1	109.5060	0.000	1	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4,6]C[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4,6]C[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	108.7830	0.006	2	108.7830	0.000	2	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4,6]N[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4,6]N[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.7550	0.013	2	109.7550	0.000	2	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]2C)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4]2C)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.4767	0.308	6	109.4767	0.095	6	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]2C[6])(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4]2C[6])(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.6090	0.613	3	109.6090	0.376	3	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]2H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4]2H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.3143	0.950	14	109.3143	0.902	14	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]N[4]C)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4]N[4]C)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.5955	0.023	2	109.5955	0.001	2	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]N[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.2624	0.358	5	109.2624	0.128	5	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]O[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[4]O[4]H)(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	108.9830	0.594	2	108.9830	0.353	2	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4]C[6a]C[4]O[4])(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	C(C[4]C[6a]C[4]O[4])(OH)(H)2	O(CC[4]HH)(H)	H(CC[4]HO)	109.0640	0.181	4	109.0640	0.033	4	109.4203	0.386	49	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[4x6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	O(CC[4x6]HH)(H)	H(CC[4x6]HO)	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	O(CC[4x6]HH)(H)	H(CC[4x6]HO)	108.9725	0.241	2	108.9725	0.058	2	108.9725	0.058	2	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	110.0770	0.008	2	110.0770	0.000	2	109.4814	1.089	38	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	109.2993	1.406	16	109.2993	1.977	16	109.4814	1.089	38	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	109.7539	0.620	12	109.7539	0.384	12	109.4814	1.089	38	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	109.9652	0.136	4	109.9652	0.018	4	109.4814	1.089	38	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6]2N[5,5])(OH)(H)2	O(CC[5,5,6]HH)(H)	H(CC[5,5,6]HO)	108.6110	0.292	4	108.6110	0.085	4	109.4814	1.089	38	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	109.7045	0.221	2	109.7045	0.049	2	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2C)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]2C)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	109.4867	0.343	14	109.4867	0.118	14	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	109.7820	0.065	2	109.7820	0.004	2	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5]2C[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]C[5,5]2C[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	108.9833	0.106	3	108.9833	0.011	3	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	108.7168	0.870	6	108.7168	0.757	6	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	108.8335	0.009	2	108.8335	0.000	2	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	109.1692	1.085	12	109.1692	1.176	12	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5]N[5,6]C[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]C[5,5]N[5,6]C[5])(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	108.8730	0.025	2	108.8730	0.001	2	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	109.5810	0.470	4	109.5810	0.221	4	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	109.6757	0.084	4	109.6757	0.007	4	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,5]N[5,5,6]C[5]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	C(C[5,5]N[5,5,6]C[5]2)(OH)(H)2	O(CC[5,5]HH)(H)	H(CC[5,5]HO)	111.0515	0.958	2	111.0515	0.918	2	109.3512	0.605	53	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	108.9430	0.024	2	108.9430	0.001	2	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.2417	0.173	4	109.2417	0.030	4	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6,6]C[5]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6,6]C[5]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	108.7375	0.008	2	108.7375	0.000	2	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]2C)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]2C)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	108.6990	0.004	2	108.6990	0.000	2	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]Br)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]Br)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	108.8787	0.104	6	108.8787	0.011	6	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	110.0315	0.146	4	110.0315	0.021	4	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	108.9457	1.219	12	108.9457	1.485	12	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.5817	0.251	4	109.5817	0.063	4	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	108.7340	3.621	6	108.7340	13.115	6	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.5048	0.270	6	109.5048	0.073	6	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6,6]C[5]O[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[5]O[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.5320	0.017	2	109.5320	0.000	2	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	113.3355	3.912	2	113.3355	15.307	2	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6]2C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.4818	0.385	4	109.4818	0.148	4	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	108.1986	1.733	16	108.1986	3.004	16	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	108.9930	2.163	69	108.9930	4.677	69	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6]N[5,6]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6]N[5,6]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	108.9255	0.203	4	108.9255	0.041	4	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.2105	0.078	2	109.2105	0.006	2	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.2748	0.126	6	109.2748	0.016	6	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.0930	0.000	1	109.0930	0.000	1	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]N[5,6]C[5]C[6])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	106.8000	0.887	2	106.8000	0.786	2	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.6570	0.030	2	109.6570	0.001	2	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	109.2675	0.293	2	109.2675	0.086	2	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	O(CC[5,6]HH)(H)	H(CC[5,6]HO)	107.0555	2.088	4	107.0555	4.361	4	108.9764	3.433	164	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.7100	0.028	2	109.7100	0.001	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.5560	0.000	1	109.5560	0.000	1	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.5010	0.614	4	109.5010	0.377	4	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[3,5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	108.9690	1.701	2	108.9690	2.894	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[3,5]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.3500	0.000	1	109.3500	0.000	1	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[4,5]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.7042	0.201	5	109.7042	0.040	5	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[4]C[5]N[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[4]C[5]N[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.0592	0.096	4	109.0592	0.009	4	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.5062	0.270	6	109.5062	0.073	6	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5,6]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.0330	0.024	2	109.0330	0.001	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.2850	2.165	6	109.2850	4.685	6	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]N)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]N)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	108.7187	0.207	6	108.7187	0.043	6	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,5]N[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.5632	0.168	5	109.5632	0.028	5	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.7991	0.901	32	109.7991	0.812	32	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.1742	0.443	10	109.1742	0.197	10	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.3044	0.439	25	109.3044	0.193	25	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]O)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.3138	0.462	11	109.3138	0.214	11	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6]N[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.8760	1.107	2	109.8760	1.226	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	108.9290	0.020	2	108.9290	0.000	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.1403	0.800	6	109.1403	0.640	6	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.0013	0.344	10	109.0013	0.119	10	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]O)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	110.1261	1.387	10	110.1261	1.924	10	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.2053	0.254	8	109.2053	0.064	8	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.1635	0.047	2	109.1635	0.002	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.2455	0.728	50	109.2455	0.530	50	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.2171	0.356	15	109.2171	0.127	15	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.3116	0.817	88	109.3116	0.668	88	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2N)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]2N)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.5880	0.434	5	109.5880	0.189	5	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2O)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]2O)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	110.1264	0.377	7	110.1264	0.142	7	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2O[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]2O[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.9095	0.005	2	109.9095	0.000	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2Ru)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]2Ru)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.2750	0.244	8	109.2750	0.060	8	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]C[6]O[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]C[6]O[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.2830	0.000	1	109.2830	0.000	1	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.1255	1.475	27	109.1255	2.175	27	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.2809	0.819	96	109.2809	0.670	96	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.1793	0.312	46	109.1793	0.098	46	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]F)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]F)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.6404	0.044	5	109.6404	0.002	5	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.2886	1.103	604	109.2886	1.217	604	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]N)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]N)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.5815	0.018	2	109.5815	0.000	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.0945	1.198	23	109.0945	1.435	23	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]P[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.9690	0.058	2	109.9690	0.003	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	108.7989	3.600	8	108.7989	12.961	8	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[6a]C[5]N[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[6a]C[5]N[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.4655	2.412	2	109.4655	5.817	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]C[6a]O[5]2)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]C[6a]O[5]2)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	108.9940	0.030	2	108.9940	0.001	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]N[4,5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]N[4,5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.6000	0.018	2	109.6000	0.000	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	108.5262	1.264	10	108.5262	1.599	10	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]N[5,6]C[5]C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.5210	0.096	2	109.5210	0.009	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.5288	0.446	6	109.5288	0.199	6	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.5000	0.004	2	109.5000	0.000	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]N[6a]C[5]S[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]N[6a]C[5]S[5])(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.7080	4.479	2	109.7080	20.060	2	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]O[5]S[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]O[5]S[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.0868	1.977	68	109.0868	3.910	68	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]S[5]2C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]S[5]2C)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.2099	0.402	8	109.2099	0.162	8	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[5]Se[5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	C(C[5]Se[5]C[5]H)(OH)(H)2	O(CC[5]HH)(H)	H(CC[5]HO)	109.8231	1.046	9	109.8231	1.094	9	109.2887	1.198	1264	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	108.8495	0.035	2	108.8495	0.001	2	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	109.3420	0.048	2	109.3420	0.002	2	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[3x6]2H)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[3x6]2H)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	109.0177	0.053	3	109.0177	0.003	3	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	109.4515	0.161	4	109.4515	0.026	4	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	109.2378	0.460	33	109.2378	0.212	33	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	109.1149	0.374	7	109.1149	0.140	7	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[5,6,6]C[3x6]H)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[5,6,6]C[3x6]H)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	108.8640	0.000	1	108.8640	0.000	1	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	109.8157	0.046	4	109.8157	0.002	4	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	109.4780	0.000	1	109.4780	0.000	1	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[6,6]2C[6])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	108.9776	0.401	9	108.9776	0.161	9	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	110.0543	0.156	6	110.0543	0.024	6	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	O(CC[6,6]HH)(H)	H(CC[6,6]HO)	110.4270	0.066	2	110.4270	0.004	2	109.3173	0.252	74	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.6173	0.302	3	109.6173	0.091	3	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[3x6]C[6]2)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[3x6]C[6]2)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.4065	0.040	2	109.4065	0.002	2	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[4,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[4,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	108.9775	0.043	2	108.9775	0.002	2	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.6800	1.105	8	109.6800	1.220	8	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]2C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]2C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	108.7140	0.269	4	108.7140	0.072	4	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]C[6,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	108.9945	1.917	2	108.9945	3.675	2	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.2800	0.030	2	109.2800	0.001	2	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]C[6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	108.7125	0.021	2	108.7125	0.000	2	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.2137	0.313	20	109.2137	0.098	20	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]C[6]O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	108.9490	0.164	4	108.9490	0.027	4	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]N[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]N[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.9175	0.352	11	109.9175	0.124	11	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]O[6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]O[6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.4315	0.019	2	109.4315	0.000	2	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.4288	0.558	32	109.4288	0.311	32	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.1195	0.006	2	109.1195	0.000	2	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.6279	0.529	8	109.6279	0.280	8	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6,6]C[6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.0244	0.634	73	109.0244	0.402	73	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.1856	0.734	17	109.1856	0.538	17	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6,6]C[6]O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.2690	0.016	2	109.2690	0.000	2	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	108.1150	0.172	4	108.1150	0.030	4	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]O[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6,6]O[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.0770	0.137	4	109.0770	0.019	4	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	108.8100	0.049	2	108.8100	0.002	2	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.4545	0.626	6	109.4545	0.392	6	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.2546	1.895	8	109.2546	3.590	8	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]2C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.1542	0.402	49	109.1542	0.161	49	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2Cl)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]2Cl)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.1107	0.241	4	109.1107	0.058	4	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2Cr)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]2Cr)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	110.2827	3.514	16	110.2827	12.346	16	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]2H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.1082	1.132	101	109.1082	1.282	101	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]2O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.3198	0.528	10	109.3198	0.279	10	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]N[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.7810	0.913	58	109.7810	0.833	58	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]O[6]C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.2503	1.032	19	109.2503	1.065	19	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.2246	1.182	579	109.2246	1.396	579	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]O[6]O)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.4276	0.977	25	109.4276	0.954	25	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]S[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6]S[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.3708	0.550	12	109.3708	0.303	12	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]C[6a]O[6]2)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]C[6a]O[6]2)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	108.8777	0.479	6	108.8777	0.229	6	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]N[5,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]N[5,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	108.9925	0.692	22	108.9925	0.479	22	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]N[6,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]N[6,6]C[6]H)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.3923	0.572	18	109.3923	0.327	18	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	C[6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(C[6]N[6]2C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	C(C[6]N[6]2C)(OH)(H)2	O(CC[6]HH)(H)	H(CC[6]HO)	109.3007	0.106	3	109.3007	0.011	3	109.2561	1.222	1142	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	N[3x6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(N[3x6]C[6,6]3)(OH)(H)2	O(CN[3x6]HH)(H)	H(CN[3x6]HO)	C(N[3x6]C[6,6]3)(OH)(H)2	O(CN[3x6]HH)(H)	H(CN[3x6]HO)	109.4360	0.030	2	109.4360	0.001	2	109.4360	0.001	2	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PBCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PBCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.2855	1.648	4	109.2855	2.716	4	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PBCO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PBCO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	108.1775	0.128	4	108.1775	0.016	4	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PC3)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PC3)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.3476	0.737	18	109.3476	0.544	18	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PCCO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PCCO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	108.8940	1.040	4	108.8940	1.081	4	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PCOO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PCOO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.0210	1.112	4	109.0210	1.237	4	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PC[6]RuC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PC[6]RuC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	108.7574	0.615	15	108.7574	0.378	15	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PC[6a]2Cu)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PC[6a]2Cu)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.4573	0.567	4	109.4573	0.321	4	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PC[6a]2O)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PC[6a]2O)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.4110	0.000	1	109.4110	0.000	1	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PC[6a]2Ru)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PC[6a]2Ru)(OH)(H)2	O(CHHP)(H)	H(CHOP)	108.2115	0.878	10	108.2115	0.770	10	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PC[6a]FeC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PC[6a]FeC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.3469	0.504	10	109.3469	0.254	10	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PC[6a]OO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PC[6a]OO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.7700	0.011	2	109.7700	0.000	2	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PC[6a]ReC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PC[6a]ReC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	108.8378	1.088	6	108.8378	1.183	6	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PFeCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PFeCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.3957	0.872	55	109.3957	0.761	55	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PNOO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PNOO)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.6315	0.108	4	109.6315	0.012	4	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PReCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PReCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.1822	0.522	5	109.1822	0.273	5	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(PRhCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	C(PRhCC)(OH)(H)2	O(CHHP)(H)	H(CHOP)	109.1287	0.294	15	109.1287	0.086	15	109.1593	0.698	161	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P[5]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(P[5]C[5]2C)(OH)(H)2	O(CP[5]HH)(H)	H(CP[5]HO)	C(P[5]C[5]2C)(OH)(H)2	O(CP[5]HH)(H)	H(CP[5]HO)	110.0760	0.023	2	110.0760	0.001	2	110.0760	0.001	2	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	P[6,6]-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(P[6,6]C[6,6]2C)(OH)(H)2	O(CP[6,6]HH)(H)	H(CP[6,6]HO)	C(P[6,6]C[6,6]2C)(OH)(H)2	O(CP[6,6]HH)(H)	H(CP[6,6]HO)	109.9408	0.114	4	109.9408	0.013	4	109.9408	0.013	4	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	S-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(SCOO)(OH)(H)2	O(CHHS)(H)	H(CHOS)	C(SCOO)(OH)(H)2	O(CHHS)(H)	H(CHOS)	108.7940	0.011	2	108.7940	0.000	2	108.7940	0.000	2	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:1:	4:	Si-4:O-2:H-1:H-1:	C-4:H-1:	C-4:	C(SiC3)(OH)(H)2	O(CSiHH)(H)	H(CSiHO)	C(SiC3)(OH)(H)2	O(CSiHH)(H)	H(CSiHO)	109.4125	0.310	4	109.4125	0.096	4	109.4125	0.096	4	109.2112	1.887	9122	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-2:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CC)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CC)	H(CCHO)	112.1985	3.310	2	112.1985	10.956	2	110.7664	4.497	5	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-2:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CO)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CO)	H(CCHO)	110.1730	0.000	1	110.1730	0.000	1	110.7664	4.497	5	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-2:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CC)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CC)	H(CCHO)	109.6310	0.007	2	109.6310	0.000	2	110.7664	4.497	5	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:	C-4:	C(CCHH)(OO)(H)2	O(CCHH)(OC)	H(CCHO)	C(CCHH)(OO)(H)2	O(CCHH)(OC)	H(CCHO)	108.6740	0.030	2	108.6740	0.001	2	110.1817	0.629	12	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:	C-4:	C(CCHH)(OO)(H)2	O(CCHH)(OH)	H(CCHO)	C(CCHH)(OO)(H)2	O(CCHH)(OH)	H(CCHO)	110.4612	0.084	6	110.4612	0.007	6	110.1817	0.629	12	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:	C-4:	C(CH3)(OO)(H)2	O(CCHH)(OC)	H(CCHO)	C(CH3)(OO)(H)2	O(CCHH)(OC)	H(CCHO)	110.5162	0.687	4	110.5162	0.472	4	110.1817	0.629	12	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C[3]-4:O-2:H-1:H-1:	C-4:S-2:	C-4:	C(C[3]C[3]2H)(OS)(H)2	O(CC[3]HH)(SC[6a])	H(CC[3]HO)	C(C[3]C[3]2H)(OS)(H)2	O(CC[3]HH)(SC[6a])	H(CC[3]HO)	110.1545	0.035	2	110.1545	0.001	2	110.1545	0.001	2	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-2:	C-4:	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a])	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a])	H(CC[4]HO)	109.8905	0.022	2	109.8905	0.000	2	109.8905	0.000	2	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C[5]-4:O-2:H-1:H-1:	C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(OO)(H)2	O(CC[5]HH)(OC)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]O)(OO)(H)2	O(CC[5]HH)(OC)	H(CC[5]HO)	108.6950	0.033	2	108.6950	0.001	2	109.1287	0.678	6	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C[5]-4:O-2:H-1:H-1:	C-4:O-2:	C-4:	C(C[5]C[5]2H)(OO)(H)2	O(CC[5]HH)(OC)	H(CC[5]HO)	C(C[5]C[5]2H)(OO)(H)2	O(CC[5]HH)(OC)	H(CC[5]HO)	108.5055	0.008	2	108.5055	0.000	2	109.1287	0.678	6	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:2:	4:	C[5]-4:O-2:H-1:H-1:	C-4:O-2:	C-4:	C(C[5]C[6a]C[5]N[5])(OO)(H)2	O(CC[5]HH)(OH)	H(CC[5]HO)	C(C[5]C[6a]C[5]N[5])(OO)(H)2	O(CC[5]HH)(OH)	H(CC[5]HO)	110.1855	0.012	2	110.1855	0.000	2	109.1287	0.678	6	110.0324	1.393	27	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CC3)(ON)(H)2	O(CCHH)(NCH)	H(CCHO)	C(CC3)(ON)(H)2	O(CCHH)(NCH)	H(CCHO)	109.9137	0.050	4	109.9137	0.003	4	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CC3)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	C(CC3)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	110.3930	0.021	2	110.3930	0.000	2	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCCH)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	C(CCCH)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	110.3888	0.784	6	110.3888	0.614	6	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCFF)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	C(CCFF)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	111.0510	0.006	2	111.0510	0.000	2	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCHH)(ON)(H)2	O(CCHH)(NCH)	H(CCHO)	C(CCHH)(ON)(H)2	O(CCHH)(NCH)	H(CCHO)	108.7765	0.139	4	108.7765	0.019	4	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCHH)(ON)(H)2	O(CCHH)(NCoC)	H(CCHO)	C(CCHH)(ON)(H)2	O(CCHH)(NCoC)	H(CCHO)	108.8602	0.244	6	108.8602	0.059	6	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCHH)(ON)(H)2	O(CCHH)(NHH)	H(CCHO)	C(CCHH)(ON)(H)2	O(CCHH)(NHH)	H(CCHO)	110.3955	0.013	2	110.3955	0.000	2	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCHH)(ON)(H)2	O(CCHH)(NHS)	H(CCHO)	C(CCHH)(ON)(H)2	O(CCHH)(NHS)	H(CCHO)	109.9610	0.497	4	109.9610	0.247	4	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCHN)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	C(CCHN)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	109.0195	0.009	2	109.0195	0.000	2	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CCHO)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	C(CCHO)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	110.7920	0.123	4	110.7920	0.015	4	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CC[6a]CC)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	C(CC[6a]CC)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	110.3800	0.027	2	110.3800	0.001	2	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CH3)(ON)(H)2	O(CCHH)(NCC)	H(CCHO)	C(CH3)(ON)(H)2	O(CCHH)(NCC)	H(CCHO)	110.4825	0.008	2	110.4825	0.000	2	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CH3)(ON)(H)2	O(CCHH)(NCO)	H(CCHO)	C(CH3)(ON)(H)2	O(CCHH)(NCO)	H(CCHO)	110.3920	0.010	2	110.3920	0.000	2	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CH3)(ON)(H)2	O(CCHH)(NCuC)	H(CCHO)	C(CH3)(ON)(H)2	O(CCHH)(NCuC)	H(CCHO)	110.2630	0.240	4	110.2630	0.058	4	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CHHN)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	C(CHHN)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	109.6149	0.899	8	109.6149	0.809	8	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CHHO)(ON)(H)2	O(CCHH)(NCoC)	H(CCHO)	C(CHHO)(ON)(H)2	O(CCHH)(NCoC)	H(CCHO)	108.6204	0.308	7	108.6204	0.095	7	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CHHO)(ON)(H)2	O(CCHH)(NCuC)	H(CCHO)	C(CHHO)(ON)(H)2	O(CCHH)(NCuC)	H(CCHO)	108.9765	0.353	11	108.9765	0.125	11	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CHHO)(ON)(H)2	O(CCHH)(NHS)	H(CCHO)	C(CHHO)(ON)(H)2	O(CCHH)(NHS)	H(CCHO)	108.8535	0.015	2	108.8535	0.000	2	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CHHO)(ON)(H)2	O(CCHH)(NNiC)	H(CCHO)	C(CHHO)(ON)(H)2	O(CCHH)(NNiC)	H(CCHO)	108.9669	0.472	40	108.9669	0.222	40	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CHHO)(ON)(H)2	O(CCHH)(NPdC)	H(CCHO)	C(CHHO)(ON)(H)2	O(CCHH)(NPdC)	H(CCHO)	109.1640	0.181	4	109.1640	0.033	4	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CHHO)(ON)(H)2	O(CCHH)(NZnC)	H(CCHO)	C(CHHO)(ON)(H)2	O(CCHH)(NZnC)	H(CCHO)	108.8106	0.266	46	108.8106	0.071	46	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(CN[5]HH)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	C(CN[5]HH)(ON)(H)2	O(CCHH)(NOO)	H(CCHO)	110.5955	0.005	2	110.5955	0.000	2	109.2414	0.555	166	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:	C-4:	C(CH3)(OO)(H)2	O(CCHH)(OZn2)	H(CCHO)	C(CH3)(OO)(H)2	O(CCHH)(OZn2)	H(CCHO)	110.5060	0.007	2	110.5060	0.000	2	110.5060	0.000	2	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:	C-4:	C(CC[6]CH)(OS)(H)2	O(CCHH)(SOO)	H(CCHO)	C(CC[6]CH)(OS)(H)2	O(CCHH)(SOO)	H(CCHO)	109.5475	0.153	4	109.5475	0.023	4	109.5475	0.023	4	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C[3]-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[3]C[3]O[3]C)(ON)(H)2	O(CC[3]HH)(NCH)	H(CC[3]HO)	C(C[3]C[3]O[3]C)(ON)(H)2	O(CC[3]HH)(NCH)	H(CC[3]HO)	110.2333	0.020	3	110.2333	0.000	3	110.2333	0.000	3	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:P-3:	C-4:	C(C[3x6]C[6,6]3)(OP)(H)2	O(CC[3x6]HH)(POO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OP)(H)2	O(CC[3x6]HH)(POO)	H(CC[3x6]HO)	110.8610	1.387	2	110.8610	1.925	2	110.8610	1.925	2	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[4]C[4]2C)(ON)(H)2	O(CC[4]HH)(NOO)	H(CC[4]HO)	C(C[4]C[4]2C)(ON)(H)2	O(CC[4]HH)(NOO)	H(CC[4]HO)	108.5127	1.065	16	108.5127	1.134	16	109.3096	1.502	30	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	C[4]-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(C[4]C[4]2H)(ON)(H)2	O(CC[4]HH)(NOO)	H(CC[4]HO)	C(C[4]C[4]2H)(ON)(H)2	O(CC[4]HH)(NOO)	H(CC[4]HO)	110.2204	0.606	14	110.2204	0.367	14	109.3096	1.502	30	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:3:	4:	P-4:O-2:H-1:H-1:	C-4:N-3:	C-4:	C(PCCO)(ON)(H)2	O(CHHP)(NOO)	H(CHOP)	C(PCCO)(ON)(H)2	O(CHHP)(NOO)	H(CHOP)	116.4872	8.560	6	116.4872	73.280	6	116.4872	73.280	6	109.5019	3.849	213	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	B-4:C-4:	C-4:	C(CCHH)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	C(CCHH)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	109.6943	0.277	22	109.6943	0.077	22	109.6566	0.060	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	B-4:C-4:	C-4:	C(CF3)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	C(CF3)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	109.6060	0.006	4	109.6060	0.000	4	109.6566	0.060	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	B-4:C-4:	C-4:	C(CH3)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	C(CH3)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	109.6670	0.021	2	109.6670	0.000	2	109.6566	0.060	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	B-4:C-4:	C-4:	C(CHHO)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	C(CHHO)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	109.4030	0.000	1	109.4030	0.000	1	109.6566	0.060	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	B-4:C-4:	C-4:	C(CHHS)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	C(CHHS)(OB)(H)2	O(BC[6a]3)(CCHH)	H(CCHO)	109.4595	0.019	2	109.4595	0.000	2	109.6566	0.060	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:B-4:	C-4:	C(CF3)(OB)(H)2	O(CCHH)(BO3)	H(CCHO)	C(CF3)(OB)(H)2	O(CCHH)(BO3)	H(CCHO)	109.6489	0.189	8	109.6489	0.036	8	109.6489	0.036	8	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CBrCH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CBrCH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.8035	0.029	2	109.8035	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CBrHH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CBrHH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.3100	0.028	2	109.3100	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC3)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC3)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.5422	0.605	8	109.5422	0.366	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC3)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CC3)(OC)(H)2	O(CCHH)2	H(CCHO)	109.6967	0.285	53	109.6967	0.081	53	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC3)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	C(CC3)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	109.7380	0.041	2	109.7380	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.0520	0.675	10	110.0520	0.455	10	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCCH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CCCH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.6085	0.009	2	109.6085	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCCH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCCH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.8746	0.041	8	109.8746	0.002	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CCCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.4588	0.819	23	109.4588	0.671	23	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCCN)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CCCN)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	110.2255	0.385	4	110.2255	0.148	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCCN)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CCCN)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.8265	0.046	2	109.8265	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCCO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CCCO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.2105	0.029	2	110.2105	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCFF)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CCFF)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	110.8426	0.838	14	110.8426	0.703	14	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCFH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CCFH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.1128	0.024	4	110.1128	0.001	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	108.7627	1.612	10	108.7627	2.600	10	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	109.4335	0.035	2	109.4335	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CCHN)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CCHN)	H(CCHO)	110.2030	0.038	2	110.2030	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CCHO)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CCHO)	H(CCHO)	109.6783	0.971	6	109.6783	0.942	6	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.4543	1.976	87	109.4543	3.905	87	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCHH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.4949	0.778	120	109.4949	0.606	120	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[5,6]HH)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[5,6]HH)(CCHH)	H(CCHO)	109.7000	0.049	2	109.7000	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	109.9060	0.040	4	109.9060	0.002	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	109.2729	0.568	10	109.2729	0.323	10	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	109.7690	0.000	1	109.7690	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	109.6810	0.018	2	109.6810	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.6079	1.339	67	109.6079	1.793	67	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CC[6a]HO)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CC[6a]HO)(CCHH)	H(CCHO)	106.7010	0.362	8	106.7010	0.131	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CN[6a]CH)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CN[6a]CH)(CCHH)	H(CCHO)	108.7930	0.008	2	108.7930	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	110.1785	0.009	2	110.1785	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(H)2	O(CPt2C)(CCHH)	H(CCHO)	C(CCHH)(OC)(H)2	O(CPt2C)(CCHH)	H(CCHO)	109.5495	0.841	6	109.5495	0.708	6	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHI)(OC)(H)2	O(CC[4]HH)(CCHH)	H(CCHO)	C(CCHI)(OC)(H)2	O(CC[4]HH)(CCHH)	H(CCHO)	109.0700	0.034	2	109.0700	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHN)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CCHN)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.7446	0.435	18	109.7446	0.189	18	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHN)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	C(CCHN)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	109.2460	3.014	2	109.2460	9.082	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHN)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCHN)(OC)(H)2	O(CCHH)2	H(CCHO)	109.6831	1.807	8	109.6831	3.266	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHN)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	C(CCHN)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	109.0220	0.215	22	109.0220	0.046	22	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHN)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CCHN)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	110.2867	0.019	4	110.2867	0.000	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CCHN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.2510	0.541	64	109.2510	0.293	64	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CCHO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.0786	0.505	22	110.0786	0.255	22	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	C(CCHO)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	109.5730	2.508	4	109.5730	6.289	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCHO)(OC)(H)2	O(CCHH)2	H(CCHO)	110.3944	1.501	10	110.3944	2.254	10	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CC[4]HH)(CCHH)	H(CCHO)	C(CCHO)(OC)(H)2	O(CC[4]HH)(CCHH)	H(CCHO)	108.5505	0.033	2	108.5505	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	C(CCHO)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	108.7220	0.013	2	108.7220	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CCHO)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	109.1250	0.027	2	109.1250	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	C(CCHO)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	110.0985	0.503	2	110.0985	0.253	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CC[6a]3)(CCHH)	H(CCHO)	C(CCHO)(OC)(H)2	O(CC[6a]3)(CCHH)	H(CCHO)	110.2566	0.228	10	110.2566	0.052	10	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CCHO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.5637	1.353	44	109.5637	1.832	44	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCHP)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CCHP)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.1852	0.157	6	110.1852	0.025	6	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[3,5]HO)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	C(CC[3,5]HO)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	110.3650	0.014	2	110.3650	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.5825	0.039	2	109.5825	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[3x6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[3x6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.7425	0.043	2	109.7425	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[4]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[4]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.9110	0.016	2	109.9110	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[4]HN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[4]HN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.7075	1.200	2	110.7075	1.440	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5,5,6]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[5,5,6]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.3360	0.000	1	110.3360	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5,6]HO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[5,6]HO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	108.7000	0.038	2	108.7000	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]Br2)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[5]Br2)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.8645	0.026	2	109.8645	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]BrH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CC[5]BrH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.2415	0.022	2	109.2415	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]CH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CC[5]CH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.9380	0.101	4	109.9380	0.010	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]CN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[5]CN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.1535	0.064	2	110.1535	0.004	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]ClH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[5]ClH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.9860	0.008	2	109.9860	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[5]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	108.7385	2.236	11	108.7385	5.000	11	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	C(CC[5]HH)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	109.2395	0.572	2	109.2395	0.327	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.9245	0.314	20	109.9245	0.099	20	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[5]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.7732	0.311	19	109.7732	0.097	19	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HN)(OC)(H)2	O(CC[6a]3)(CCHH)	H(CCHO)	C(CC[5]HN)(OC)(H)2	O(CC[6a]3)(CCHH)	H(CCHO)	110.2840	0.000	1	110.2840	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[5]HO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.8740	0.023	2	109.8740	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HO)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	C(CC[5]HO)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	109.2820	0.030	2	109.2820	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HO)(OC)(H)2	O(CC[6a]3)(CCHH)	H(CCHO)	C(CC[5]HO)(OC)(H)2	O(CC[6a]3)(CCHH)	H(CCHO)	109.9235	0.028	2	109.9235	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5]HO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[5]HO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.3230	0.127	5	110.3230	0.016	5	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5a]HH)(OC)(H)2	O(CC[5a]C[6a]H)(CCHH)	H(CCHO)	C(CC[5a]HH)(OC)(H)2	O(CC[5a]C[6a]H)(CCHH)	H(CCHO)	110.2045	0.008	2	110.2045	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[5a]HO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[5a]HO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.9730	0.000	1	109.9730	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6,6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6,6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.9590	0.148	4	109.9590	0.022	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6,6]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[6,6]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.8772	0.375	5	109.8772	0.141	5	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]CC)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6]CC)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.2220	0.084	5	109.2220	0.007	5	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]CH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[6]CH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.9597	0.243	3	109.9597	0.059	3	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]HH)(OC)(H)2	O(CCCO)(CCHH)	H(CCHO)	C(CC[6]HH)(OC)(H)2	O(CCCO)(CCHH)	H(CCHO)	108.9152	0.129	5	108.9152	0.017	5	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.1663	0.078	4	110.1663	0.006	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]HH)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	C(CC[6]HH)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	109.8570	0.034	2	109.8570	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.9425	1.070	13	109.9425	1.146	13	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[6]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.8830	0.198	10	109.8830	0.039	10	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]HH)(OC)(H)2	O(CPdCH)(CCHH)	H(CCHO)	C(CC[6]HH)(OC)(H)2	O(CPdCH)(CCHH)	H(CCHO)	107.7580	2.437	2	107.7580	5.937	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]HO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6]HO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.7142	0.352	4	109.7142	0.124	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6]HO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[6]HO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.1015	0.120	4	110.1015	0.014	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]2S)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6a]2S)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.1805	0.033	2	109.1805	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]CC)(OC)(H)2	O(CCHH)(CF3)	H(CCHO)	C(CC[6a]CC)(OC)(H)2	O(CCHH)(CF3)	H(CCHO)	109.8500	0.000	1	109.8500	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]CH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6a]CH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.9767	0.242	6	109.9767	0.058	6	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]CH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[6a]CH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	108.3710	1.556	2	108.3710	2.420	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]CO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6a]CO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.7530	0.013	2	110.7530	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]C[5]H)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[6a]C[5]H)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.8050	0.260	4	110.8050	0.068	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6a]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.1560	0.460	3	110.1560	0.211	3	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CC[6a]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.5192	0.521	6	109.5192	0.272	6	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(OC)(H)2	O(CC[6]HO)(CCHH)	H(CCHO)	C(CC[6a]HH)(OC)(H)2	O(CC[6]HO)(CCHH)	H(CCHO)	110.4480	0.023	2	110.4480	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[6a]HH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	108.8178	4.197	4	108.8178	17.612	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	C(CC[6a]HH)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	110.1820	0.035	2	110.1820	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]HN)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.8723	0.296	8	109.8723	0.088	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]HN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.1060	1.423	8	110.1060	2.024	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]HO)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CC[6a]HO)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	110.0060	0.081	2	110.0060	0.006	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]HO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6a]HO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.3260	0.209	3	110.3260	0.044	3	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CC[6a]N[5]H)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CC[6a]N[5]H)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.1860	0.187	4	110.1860	0.035	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CClCH)(OC)(H)2	O(CCHH)(CCHO)	H(CCHO)	C(CClCH)(OC)(H)2	O(CCHH)(CCHO)	H(CCHO)	109.9665	0.053	2	109.9665	0.003	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CClCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CClCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.7510	0.021	2	110.7510	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CClHH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CClHH)(OC)(H)2	O(CCHH)2	H(CCHO)	104.8870	0.720	2	104.8870	0.518	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CClHH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CClHH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.4155	0.040	2	109.4155	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CClHH)(OC)(H)2	O(CC[6a]HN)(CCHH)	H(CCHO)	C(CClHH)(OC)(H)2	O(CC[6a]HN)(CCHH)	H(CCHO)	109.9375	0.053	2	109.9375	0.003	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCo2C)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CCo2C)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.7500	0.146	4	109.7500	0.021	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCo2C)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCo2C)(OC)(H)2	O(CCHH)2	H(CCHO)	109.3852	0.027	4	109.3852	0.001	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCoCH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCoCH)(OC)(H)2	O(CCHH)2	H(CCHO)	108.4940	0.101	3	108.4940	0.010	3	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CF3)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CF3)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	110.4135	0.803	31	110.4135	0.644	31	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CF3)(OC)(H)2	O(CC[6a]C[5]H)(CCHH)	H(CCHO)	C(CF3)(OC)(H)2	O(CC[6a]C[5]H)(CCHH)	H(CCHO)	110.1430	0.000	1	110.1430	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CF3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CF3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.8152	0.708	4	110.8152	0.501	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CFFH)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CFFH)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	110.0151	0.615	9	110.0151	0.378	9	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CFHH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CFHH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.4573	0.753	4	109.4573	0.567	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	103.8461	12.960	4	103.8461	167.952	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	109.8205	0.021	2	109.8205	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CCHN)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CCHN)	H(CCHO)	109.7278	0.320	5	109.7278	0.103	5	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CCHO)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CCHO)	H(CCHO)	109.6015	1.098	80	109.6015	1.206	80	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CCHP)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CCHP)	H(CCHO)	109.9790	0.000	1	109.9790	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	108.4904	3.156	5	108.4904	9.963	5	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CH3)(OC)(H)2	O(CCHH)2	H(CCHO)	109.4825	1.467	3701	109.4825	2.151	3701	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[4]HO)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[4]HO)(CCHH)	H(CCHO)	109.8135	0.252	4	109.8135	0.063	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5]CH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5]CH)(CCHH)	H(CCHO)	109.3777	0.991	4	109.3777	0.983	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CCHO)	110.2935	0.019	2	110.2935	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5]HO)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5]HO)(CCHH)	H(CCHO)	109.4286	0.810	12	109.4286	0.656	12	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5a]CH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5a]CH)(CCHH)	H(CCHO)	110.0155	0.040	2	110.0155	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	109.7436	0.210	7	109.7436	0.044	7	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[5x3,5x5,20x6]CH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[5x3,5x5,20x6]CH)(CCHH)	H(CCHO)	109.3485	0.343	4	109.3485	0.117	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6]2O)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6]2O)(CCHH)	H(CCHO)	110.2435	0.073	4	110.2435	0.005	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6]CH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6]CH)(CCHH)	H(CCHO)	109.6665	0.052	2	109.6665	0.003	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	108.9548	0.082	5	108.9548	0.007	5	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6]HN)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6]HN)(CCHH)	H(CCHO)	109.9525	0.032	2	109.9525	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6]HO)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6]HO)(CCHH)	H(CCHO)	110.0207	0.137	10	110.0207	0.019	10	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	109.5902	0.606	8	109.5902	0.367	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]C[5]C)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]C[5]C)(CCHH)	H(CCHO)	110.1280	0.072	4	110.1280	0.005	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]C[5]H)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]C[5]H)(CCHH)	H(CCHO)	110.1615	0.016	2	110.1615	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]C[6]Fe)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]C[6]Fe)(CCHH)	H(CCHO)	109.9967	0.082	4	109.9967	0.007	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]C[6]H)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]C[6]H)(CCHH)	H(CCHO)	109.6085	0.049	2	109.6085	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]Fe2)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]Fe2)(CCHH)	H(CCHO)	110.0110	0.006	2	110.0110	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.9317	0.058	4	109.9317	0.003	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]HN)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]HN)(CCHH)	H(CCHO)	109.5150	0.007	2	109.5150	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CC[6a]HO)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CC[6a]HO)(CCHH)	H(CCHO)	109.6807	0.714	10	109.6807	0.509	10	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CDyCO)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CDyCO)(CCHH)	H(CCHO)	109.8479	0.444	18	109.8479	0.197	18	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CIrCH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CIrCH)(CCHH)	H(CCHO)	110.3380	0.035	2	110.3380	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CMoCW)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CMoCW)(CCHH)	H(CCHO)	107.5505	5.994	2	107.5505	35.930	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CN[6]HH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CN[6]HH)(CCHH)	H(CCHO)	109.0035	0.016	2	109.0035	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	108.9770	1.399	4	108.9770	1.956	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(COsCO)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(COsCO)(CCHH)	H(CCHO)	109.9645	0.395	4	109.9645	0.156	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)(H)2	O(CRuCO)(CCHH)	H(CCHO)	C(CH3)(OC)(H)2	O(CRuCO)(CCHH)	H(CCHO)	109.5835	0.077	2	109.5835	0.006	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHI)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CHHI)(OC)(H)2	O(CCHH)2	H(CCHO)	109.5315	0.053	2	109.5315	0.003	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	110.3997	0.162	4	110.3997	0.026	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CHHN)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	110.2885	0.160	4	110.2885	0.026	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CHHN)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.8386	0.399	162	109.8386	0.159	162	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CHHN)(OC)(H)2	O(CCHH)2	H(CCHO)	109.8449	0.829	695	109.8449	0.687	695	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	109.7800	0.000	1	109.7800	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	110.0725	0.026	2	110.0725	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[6a]2C)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[6a]2C)(CCHH)	H(CCHO)	109.7330	0.008	2	109.7330	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	109.9559	0.078	9	109.9559	0.006	9	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[6a]CH)(CCHH)	H(CCHO)	108.6325	0.011	2	108.6325	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[6a]C[6]C)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[6a]C[6]C)(CCHH)	H(CCHO)	110.7130	0.173	4	110.7130	0.030	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[6a]C[6]H)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[6a]C[6]H)(CCHH)	H(CCHO)	110.4038	0.171	4	110.4038	0.029	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CHHN)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.9190	0.242	3	109.9190	0.059	3	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	109.7059	1.220	43	109.7059	1.489	43	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CCCO)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCCO)(CCHH)	H(CCHO)	108.7280	3.671	2	108.7280	13.478	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	110.4800	0.061	2	110.4800	0.004	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.6499	0.727	576	109.6499	0.529	576	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CHHN)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CHHN)	H(CCHO)	108.4400	0.034	2	108.4400	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CHHO)	H(CCHO)	109.8935	0.203	8	109.8935	0.041	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)(CHOO)	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)(CHOO)	H(CCHO)	109.1490	0.126	8	109.1490	0.016	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CHHO)(OC)(H)2	O(CCHH)2	H(CCHO)	109.6450	1.095	10836	109.6450	1.198	10836	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[3x6]HH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[3x6]HH)(CCHH)	H(CCHO)	109.8895	0.090	2	109.8895	0.008	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[4,5,5]HH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[4,5,5]HH)(CCHH)	H(CCHO)	108.9050	0.775	3	108.9050	0.600	3	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[5]CH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[5]CH)(CCHH)	H(CCHO)	109.1280	0.040	2	109.1280	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[5a]HH)(CCHH)	H(CCHO)	110.3975	0.049	2	110.3975	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	109.8765	0.067	4	109.8765	0.004	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[6a]2O)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[6a]2O)(CCHH)	H(CCHO)	110.2272	0.176	4	110.2272	0.031	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.6488	1.975	42	109.6488	3.900	42	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CC[6a]HO)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CC[6a]HO)(CCHH)	H(CCHO)	109.4497	2.499	4	109.4497	6.243	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CN[5]HH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CN[5]HH)(CCHH)	H(CCHO)	109.5334	1.133	12	109.5334	1.283	12	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CCHO)	109.7739	0.914	14	109.7739	0.835	14	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHO)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	C(CHHO)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	109.8473	0.058	3	109.8473	0.003	3	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHP)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CHHP)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.9586	0.435	20	109.9586	0.189	20	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHP)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CHHP)(OC)(H)2	O(CCHH)2	H(CCHO)	109.8012	0.771	58	109.8012	0.595	58	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHS)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CHHS)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	109.8470	0.031	2	109.8470	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHS)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CHHS)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.0268	0.295	5	110.0268	0.087	5	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHS)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CHHS)(OC)(H)2	O(CCHH)2	H(CCHO)	109.7536	0.582	616	109.7536	0.339	616	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHHS)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CHHS)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.3415	0.566	4	109.3415	0.320	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CHSS)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CHSS)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.8588	1.200	4	110.8588	1.441	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CMnCH)(OC)(H)2	O(CC[5]CH)(CCHH)	H(CCHO)	C(CMnCH)(OC)(H)2	O(CC[5]CH)(CCHH)	H(CCHO)	108.3853	0.174	3	108.3853	0.030	3	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5,5]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CN[5,5]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.8845	0.216	2	109.8845	0.047	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5]3)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CN[5]3)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.9240	0.164	4	109.9240	0.027	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5]3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CN[5]3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	110.1981	0.097	8	110.1981	0.009	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5]CH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CN[5]CH)(OC)(H)2	O(CCHH)2	H(CCHO)	110.4035	0.021	2	110.4035	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5]HH)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	109.4210	0.000	1	109.4210	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.9406	0.342	85	109.9406	0.117	85	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.9464	0.310	85	109.9464	0.096	85	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5]HH)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CN[5]HH)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	109.1960	0.016	2	109.1960	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5]HO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CN[5]HO)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.2800	0.033	2	110.2800	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]3)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CN[5a]3)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.5490	0.033	2	109.5490	0.001	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]3)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CN[5a]3)(OC)(H)2	O(CCHH)2	H(CCHO)	109.8392	0.427	6	109.8392	0.182	6	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]3)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	C(CN[5a]3)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CCHO)	110.1020	0.000	1	110.1020	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CN[5a]3)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.8824	0.346	28	109.8824	0.120	28	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]HH)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	C(CN[5a]HH)(OC)(H)2	O(CCCH)(CCHH)	H(CCHO)	109.2440	0.954	4	109.2440	0.911	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]HH)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	C(CN[5a]HH)(OC)(H)2	O(CCHH)(CC3)	H(CCHO)	110.0835	0.040	2	110.0835	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CN[5a]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.1892	2.240	9	109.1892	5.018	9	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]HH)(OC)(H)2	O(CCHH)(CHHP)	H(CCHO)	C(CN[5a]HH)(OC)(H)2	O(CCHH)(CHHP)	H(CCHO)	107.9993	2.313	3	107.9993	5.350	3	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[5a]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CN[5a]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	110.0492	0.930	40	110.0492	0.864	40	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CN[6]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.9991	0.327	8	109.9991	0.107	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[6]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CN[6]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.8178	0.485	37	109.8178	0.235	37	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[6]HH)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	C(CN[6]HH)(OC)(H)2	O(CC[6a]2H)(CCHH)	H(CCHO)	109.4183	0.030	4	109.4183	0.001	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[6a]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CN[6a]HH)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.7595	0.060	2	109.7595	0.004	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CN[6a]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CN[6a]HH)(OC)(H)2	O(CCHH)2	H(CCHO)	109.4509	0.577	8	109.4509	0.332	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CO[4]CC)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CO[4]CC)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	110.2190	0.000	1	110.2190	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CSbHH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CSbHH)(OC)(H)2	O(CCHH)2	H(CCHO)	110.3863	0.273	4	110.3863	0.075	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CSeCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	C(CSeCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	H(CCHO)	109.3930	0.491	4	109.3930	0.241	4	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CSeHH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CSeHH)(OC)(H)2	O(CCHH)2	H(CCHO)	110.0032	0.882	26	110.0032	0.778	26	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CSiHH)(OC)(H)2	O(CN[5]HH)(CCHH)	H(CCHO)	C(CSiHH)(OC)(H)2	O(CN[5]HH)(CCHH)	H(CCHO)	109.8135	0.022	2	109.8135	0.000	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CSiHH)(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CCHO)	C(CSiHH)(OC)(H)2	O(CN[5a]HH)(CCHH)	H(CCHO)	110.0850	0.000	1	110.0850	0.000	1	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CSiHH)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	C(CSiHH)(OC)(H)2	O(CN[6a]HH)(CCHH)	H(CCHO)	109.8980	0.042	2	109.8980	0.002	2	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CTeHH)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CTeHH)(OC)(H)2	O(CCHH)2	H(CCHO)	111.6221	3.424	8	111.6221	11.723	8	109.6310	1.347	18469	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Ge-4:	C-4:	C(CHHN)(OGe)(H)2	O(CCHH)(GeO3)	H(CCHO)	C(CHHN)(OGe)(H)2	O(CCHH)(GeO3)	H(CCHO)	107.6618	2.824	18	107.6618	7.977	18	107.6618	7.977	18	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:	C-4:	C(CCHH)(ON)(H)2	O(CCHH)(NCHH)	H(CCHO)	C(CCHH)(ON)(H)2	O(CCHH)(NCHH)	H(CCHO)	110.3537	0.603	7	110.3537	0.363	7	110.3537	0.363	7	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CC3)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	C(CC3)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	110.4015	0.032	2	110.4015	0.001	2	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CC3)(OP)(H)2	O(CCHH)(PHOO)	H(CCHO)	C(CC3)(OP)(H)2	O(CCHH)(PHOO)	H(CCHO)	109.7840	0.000	1	109.7840	0.000	1	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CC3)(OP)(H)2	O(CCHH)(POOS)	H(CCHO)	C(CC3)(OP)(H)2	O(CCHH)(POOS)	H(CCHO)	109.4585	0.163	4	109.4585	0.026	4	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCCH)(OP)(H)2	O(CCHH)(POSS)	H(CCHO)	C(CCCH)(OP)(H)2	O(CCHH)(POSS)	H(CCHO)	109.8980	0.170	7	109.8980	0.029	7	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCFF)(OP)(H)2	O(CCHH)(PNNO)	H(CCHO)	C(CCFF)(OP)(H)2	O(CCHH)(PNNO)	H(CCHO)	109.9163	0.158	4	109.9163	0.025	4	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCHH)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	C(CCHH)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	109.8762	0.350	6	109.8762	0.122	6	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCHH)(OP)(H)2	O(CCHH)(PFNN)	H(CCHO)	C(CCHH)(OP)(H)2	O(CCHH)(PFNN)	H(CCHO)	109.3025	0.012	2	109.3025	0.000	2	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCHH)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	C(CCHH)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	109.7061	0.405	12	109.7061	0.164	12	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCHH)(OP)(H)2	O(CCHH)(POSS)	H(CCHO)	C(CCHH)(OP)(H)2	O(CCHH)(POSS)	H(CCHO)	107.6628	1.243	4	107.6628	1.545	4	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCHN)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	C(CCHN)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	109.7204	1.396	32	109.7204	1.950	32	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCHO)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	C(CCHO)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	108.6213	2.009	4	108.6213	4.038	4	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CCOO)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	C(CCOO)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	108.9700	0.045	2	108.9700	0.002	2	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CC[5]HH)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	C(CC[5]HH)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	109.9811	0.200	8	109.9811	0.040	8	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CC[6]HH)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	C(CC[6]HH)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	109.8780	0.285	4	109.8780	0.081	4	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CC[6a]HH)(OP)(H)2	O(CCHH)(POSS)	H(CCHO)	C(CC[6a]HH)(OP)(H)2	O(CCHH)(POSS)	H(CCHO)	110.0471	0.217	8	110.0471	0.047	8	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CF3)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	C(CF3)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	109.9230	0.733	11	109.9230	0.537	11	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CF3)(OP)(H)2	O(CCHH)(PNOP)	H(CCHO)	C(CF3)(OP)(H)2	O(CCHH)(PNOP)	H(CCHO)	110.0758	0.148	6	110.0758	0.022	6	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(PBOO)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(PBOO)	H(CCHO)	109.9998	0.218	4	109.9998	0.048	4	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(PCCO)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(PCCO)	H(CCHO)	109.8950	0.010	2	109.8950	0.000	2	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(PCHO)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(PCHO)	H(CCHO)	109.8905	0.013	2	109.8905	0.000	2	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	109.4662	0.861	553	109.4662	0.741	553	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(PNNO)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(PNNO)	H(CCHO)	110.2300	0.000	1	110.2300	0.000	1	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(PNOO)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(PNOO)	H(CCHO)	109.7275	0.547	77	109.7275	0.299	77	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(PNOS)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(PNOS)	H(CCHO)	109.7249	0.565	36	109.7249	0.319	36	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	109.7233	0.549	50	109.7233	0.301	50	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(POOP)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(POOP)	H(CCHO)	109.8914	0.473	12	109.8914	0.224	12	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(POOS)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(POOS)	H(CCHO)	109.3603	0.606	17	109.3603	0.367	17	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CH3)(OP)(H)2	O(CCHH)(POSS)	H(CCHO)	C(CH3)(OP)(H)2	O(CCHH)(POSS)	H(CCHO)	109.8150	0.718	32	109.8150	0.516	32	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CHHN)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	C(CHHN)(OP)(H)2	O(CCHH)(PCOO)	H(CCHO)	108.0534	2.641	12	108.0534	6.976	12	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CHHN)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	C(CHHN)(OP)(H)2	O(CCHH)(PO3)	H(CCHO)	109.4508	0.141	6	109.4508	0.020	6	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(CHHO)(OP)(H)2	O(CCHH)(PNNO)	H(CCHO)	C(CHHO)(OP)(H)2	O(CCHH)(PNNO)	H(CCHO)	108.3706	0.242	16	108.3706	0.059	16	109.5243	0.791	937	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC3)(OS)(H)2	O(CCHH)(SCNO)	H(CCHO)	C(CC3)(OS)(H)2	O(CCHH)(SCNO)	H(CCHO)	109.8560	0.035	2	109.8560	0.001	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC3)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CC3)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.2361	0.197	8	110.2361	0.039	8	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCCH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CCCH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.0265	0.022	2	110.0265	0.000	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCCN)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CCCN)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.1160	0.021	2	110.1160	0.000	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCHH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CCHH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.4062	0.128	6	110.4062	0.016	6	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCHH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	C(CCHH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	109.2308	1.502	12	109.2308	2.255	12	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCHH)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	C(CCHH)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	102.8989	3.693	6	102.8989	13.638	6	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCHN)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	C(CCHN)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	110.0790	0.021	2	110.0790	0.000	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC[3,5]HH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	C(CC[3,5]HH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	108.5325	0.011	2	108.5325	0.000	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC[3,6]HH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	C(CC[3,6]HH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	109.6800	0.152	4	109.6800	0.023	4	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC[3]HH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	C(CC[3]HH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	107.6900	2.336	4	107.6900	5.458	4	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC[5]HH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	C(CC[5]HH)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	108.9295	0.327	4	108.9295	0.107	4	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC[5]HO)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CC[5]HO)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	106.2410	1.794	4	106.2410	3.220	4	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC[5a]CH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CC[5a]CH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.3120	0.000	1	110.3120	0.000	1	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC[6]HO)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CC[6]HO)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.0715	0.019	2	110.0715	0.000	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CC[6a]N[5a]H)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CC[6a]N[5a]H)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.3360	0.033	2	110.3360	0.001	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCl3)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	C(CCl3)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	109.9309	0.741	28	109.9309	0.550	28	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CCl3)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	C(CCl3)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	110.3081	0.286	18	110.3081	0.082	18	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CClHH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CClHH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.4610	0.016	2	110.4610	0.000	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CF3)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CF3)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.0105	0.047	2	110.0105	0.002	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CH3)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	C(CH3)(OS)(H)2	O(CCHH)(SNOO)	H(CCHO)	109.7085	0.030	2	109.7085	0.001	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CH3)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	C(CH3)(OS)(H)2	O(CCHH)(SO3)	H(CCHO)	110.1147	1.848	19	110.1147	3.416	19	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CHHN)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CHHN)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.3240	0.144	6	110.3240	0.021	6	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CHHO)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CHHO)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.1890	0.013	2	110.1890	0.000	2	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CN[5a]3)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CN[5a]3)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	109.8055	1.121	4	109.8055	1.256	4	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(CN[5a]HH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	C(CN[5a]HH)(OS)(H)2	O(CCHH)(SCOO)	H(CCHO)	110.1340	0.061	4	110.1340	0.004	4	109.5282	3.827	150	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CBrCH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CBrCH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.4335	0.028	4	109.4335	0.001	4	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CC3)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CC3)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.7127	0.046	4	109.7127	0.002	4	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CCHH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CCHH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.5121	0.340	20	109.5121	0.115	20	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CCHN)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CCHN)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.8501	0.157	14	109.8501	0.024	14	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CCHO)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CCHO)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.8800	0.357	9	109.8800	0.127	9	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CC[3]CH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CC[3]CH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.6330	0.040	2	109.6330	0.002	2	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CC[5]HH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CC[5]HH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	110.1503	0.625	26	110.1503	0.391	26	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CC[5]HN)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CC[5]HN)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.3675	0.132	2	109.3675	0.017	2	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CC[5]HO)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CC[5]HO)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.4375	0.068	4	109.4375	0.005	4	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CC[6]HH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CC[6]HH)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	110.0113	0.080	4	110.0113	0.006	4	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CC[6]HO)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CC[6]HO)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.0678	0.308	4	109.0678	0.095	4	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CC[6a]HN)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CC[6a]HN)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	110.0620	1.189	2	110.0620	1.415	2	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CH3)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CH3)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.4720	0.004	2	109.4720	0.000	2	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CHHN)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CHHN)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	110.3105	0.033	2	110.3105	0.001	2	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(CHHO)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	C(CHHO)(OSi)(H)2	O(CCHH)(SiC3)	H(CCHO)	109.6873	0.104	6	109.6873	0.011	6	109.7851	0.239	105	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:	C-4:	C(CC[6a]HN)(OC[3])(H)2	O(C[3]C[3]2H)(CCHH)	H(CCHO)	C(CC[6a]HN)(OC[3])(H)2	O(C[3]C[3]2H)(CCHH)	H(CCHO)	107.8440	0.192	2	107.8440	0.037	2	107.8440	0.037	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(CC[5]HO)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CCHH)	H(CCHO)	C(CC[5]HO)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CCHH)	H(CCHO)	108.9140	0.000	1	108.9140	0.000	1	109.2319	0.067	13	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(CClHH)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CCHH)	H(CCHO)	C(CClHH)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CCHH)	H(CCHO)	109.4380	0.180	2	109.4380	0.032	2	109.2319	0.067	13	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(CN[5]HH)(OC[5])(H)2	O(C[5]C[5]2H)(CCHH)	H(CCHO)	C(CN[5]HH)(OC[5])(H)2	O(C[5]C[5]2H)(CCHH)	H(CCHO)	109.3510	0.221	4	109.3510	0.049	4	109.2319	0.067	13	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(CN[5]HH)(OC[5])(H)2	O(C[5]C[5]S[5]H)(CCHH)	H(CCHO)	C(CN[5]HH)(OC[5])(H)2	O(C[5]C[5]S[5]H)(CCHH)	H(CCHO)	109.4675	0.019	2	109.4675	0.000	2	109.2319	0.067	13	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(CSiHH)(OC[5])(H)2	O(C[5]C[5,6]O[5]H)(CCHH)	H(CCHO)	C(CSiHH)(OC[5])(H)2	O(C[5]C[5,6]O[5]H)(CCHH)	H(CCHO)	108.9715	0.028	4	108.9715	0.001	4	109.2319	0.067	13	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CBrHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(CBrHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.9698	0.129	4	109.9698	0.017	4	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[5,5]HH)(OC[6])(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	C(CC[5,5]HH)(OC[6])(H)2	O(C[6]C[6]2O)(CCHH)	H(CCHO)	109.3027	0.064	3	109.3027	0.004	3	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[6]CH)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	H(CCHO)	C(CC[6]CH)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	H(CCHO)	109.9400	0.000	1	109.9400	0.000	1	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[6]HH)(OC[6])(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	H(CCHO)	C(CC[6]HH)(OC[6])(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	H(CCHO)	109.8473	0.145	4	109.8473	0.021	4	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[6]HH)(OC[6])(H)2	O(C[6]C[6a]C[6]2)(CCHH)	H(CCHO)	C(CC[6]HH)(OC[6])(H)2	O(C[6]C[6a]C[6]2)(CCHH)	H(CCHO)	109.3465	0.009	2	109.3465	0.000	2	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CC[6a]HH)(OC[6])(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	H(CCHO)	C(CC[6a]HH)(OC[6])(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	H(CCHO)	108.9340	0.355	2	108.9340	0.126	2	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CClHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(CClHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	109.1405	0.660	4	109.1405	0.435	4	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CN[5]HH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(CN[5]HH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	110.0055	0.018	2	110.0055	0.000	2	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CN[5a]HH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(CN[5a]HH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	106.7850	1.790	2	106.7850	3.206	2	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CN[6]CC)(OC[6])(H)2	O(C[6]C[6,6a]2C[6a])(CCHH)	H(CCHO)	C(CN[6]CC)(OC[6])(H)2	O(C[6]C[6,6a]2C[6a])(CCHH)	H(CCHO)	108.6090	0.000	1	108.6090	0.000	1	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CN[6a]HH)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	H(CCHO)	C(CN[6a]HH)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	H(CCHO)	110.2075	0.032	2	110.2075	0.001	2	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CN[6a]HH)(OC[6])(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	C(CN[6a]HH)(OC[6])(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	110.3760	0.010	2	110.3760	0.000	2	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CO[3]HH)(OC[6])(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	C(CO[3]HH)(OC[6])(H)2	O(C[6]C[6]2H)(CCHH)	H(CCHO)	110.1195	1.258	2	110.1195	1.582	2	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(CSiHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	C(CSiHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	H(CCHO)	110.0240	0.049	3	110.0240	0.002	3	109.5267	0.890	34	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Ga-4:C-4:	C-4:	C(CHHO)(OGa)(H)2	O(GaC[5]CC)(CCHH)	H(CCHO)	C(CHHO)(OGa)(H)2	O(GaC[5]CC)(CCHH)	H(CCHO)	109.7185	0.032	2	109.7185	0.001	2	109.7185	0.001	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Ge-4:C-4:	C-4:	C(CCHH)(OGe)(H)2	O(GeNNO)(CCHH)	H(CCHO)	C(CCHH)(OGe)(H)2	O(GeNNO)(CCHH)	H(CCHO)	110.0360	0.017	2	110.0360	0.000	2	109.6294	0.051	14	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Ge-4:C-4:	C-4:	C(CHHN)(OGe)(H)2	O(GeCOO)(CCHH)	H(CCHO)	C(CHHN)(OGe)(H)2	O(GeCOO)(CCHH)	H(CCHO)	109.4922	0.209	6	109.4922	0.044	6	109.6294	0.051	14	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Ge-4:C-4:	C-4:	C(CHHN)(OGe)(H)2	O(GeC[3x6]OO)(CCHH)	H(CCHO)	C(CHHN)(OGe)(H)2	O(GeC[3x6]OO)(CCHH)	H(CCHO)	109.6310	0.027	6	109.6310	0.001	6	109.6294	0.051	14	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:	C-4:	C(CCHH)(ON)(H)2	O(NZnCH)(CCHH)	H(CCHO)	C(CCHH)(ON)(H)2	O(NZnCH)(CCHH)	H(CCHO)	110.2663	0.264	3	110.2663	0.070	3	110.2663	0.070	3	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CC3)(OP)(H)2	O(PC[6a]3)(CCHH)	H(CCHO)	C(CC3)(OP)(H)2	O(PC[6a]3)(CCHH)	H(CCHO)	109.6052	0.164	4	109.6052	0.027	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CC3)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	C(CC3)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	109.4538	0.263	12	109.4538	0.069	12	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CC3)(OP)(H)2	O(PCoOO)(CCHH)	H(CCHO)	C(CC3)(OP)(H)2	O(PCoOO)(CCHH)	H(CCHO)	109.8094	0.131	5	109.8094	0.017	5	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCCH)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	C(CCCH)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	110.4297	0.078	4	110.4297	0.006	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PC[6a]2Fe)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PC[6a]2Fe)(CCHH)	H(CCHO)	109.8475	0.054	4	109.8475	0.003	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PC[6a]2S)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PC[6a]2S)(CCHH)	H(CCHO)	110.1840	0.007	2	110.1840	0.000	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PC[6a]3)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PC[6a]3)(CCHH)	H(CCHO)	110.2310	0.049	4	110.2310	0.002	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	109.7314	0.625	20	109.7314	0.390	20	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PC[6a]Se2)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PC[6a]Se2)(CCHH)	H(CCHO)	110.2795	0.218	13	110.2795	0.048	13	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PFe2O)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PFe2O)(CCHH)	H(CCHO)	109.8110	0.000	1	109.8110	0.000	1	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	110.1840	0.020	4	110.1840	0.000	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PPtOO)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PPtOO)(CCHH)	H(CCHO)	109.4733	0.554	26	109.4733	0.307	26	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	109.7523	0.313	4	109.7523	0.098	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PSe2O)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PSe2O)(CCHH)	H(CCHO)	105.8626	1.917	8	105.8626	3.676	8	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCHN)(OP)(H)2	O(PC[6a]OO)(CCHH)	H(CCHO)	C(CCHN)(OP)(H)2	O(PC[6a]OO)(CCHH)	H(CCHO)	109.7140	0.438	15	109.7140	0.192	15	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CC[6]HH)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	C(CC[6]HH)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	109.2895	0.013	2	109.2895	0.000	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CC[6]HO)(OP)(H)2	O(PC[6a]2Ru)(CCHH)	H(CCHO)	C(CC[6]HO)(OP)(H)2	O(PC[6a]2Ru)(CCHH)	H(CCHO)	109.2113	0.289	10	109.2113	0.083	10	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CClHH)(OP)(H)2	O(PC[5]OO)(CCHH)	H(CCHO)	C(CClHH)(OP)(H)2	O(PC[5]OO)(CCHH)	H(CCHO)	109.8280	0.000	1	109.8280	0.000	1	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CClHH)(OP)(H)2	O(PRuOO)(CCHH)	H(CCHO)	C(CClHH)(OP)(H)2	O(PRuOO)(CCHH)	H(CCHO)	109.8073	0.362	18	109.8073	0.131	18	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CCoCH)(OP)(H)2	O(PC[6a]2Co)(CCHH)	H(CCHO)	C(CCoCH)(OP)(H)2	O(PC[6a]2Co)(CCHH)	H(CCHO)	108.4365	1.686	12	108.4365	2.843	12	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CF3)(OP)(H)2	O(PIrNO)(CCHH)	H(CCHO)	C(CF3)(OP)(H)2	O(PIrNO)(CCHH)	H(CCHO)	110.1544	0.351	105	110.1544	0.123	105	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CF3)(OP)(H)2	O(PPtNO)(CCHH)	H(CCHO)	C(CF3)(OP)(H)2	O(PPtNO)(CCHH)	H(CCHO)	110.3609	0.195	14	110.3609	0.038	14	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CF3)(OP)(H)2	O(PRhNO)(CCHH)	H(CCHO)	C(CF3)(OP)(H)2	O(PRhNO)(CCHH)	H(CCHO)	110.0942	0.416	45	110.0942	0.173	45	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CF3)(OP)(H)2	O(PTiNO)(CCHH)	H(CCHO)	C(CF3)(OP)(H)2	O(PTiNO)(CCHH)	H(CCHO)	110.3083	0.049	3	110.3083	0.002	3	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CFeCC)(OP)(H)2	O(PC[6a]2Fe)(CCHH)	H(CCHO)	C(CFeCC)(OP)(H)2	O(PC[6a]2Fe)(CCHH)	H(CCHO)	109.2971	0.177	7	109.2971	0.031	7	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[3]OO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[3]OO)(CCHH)	H(CCHO)	109.8066	0.854	18	109.8066	0.729	18	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[5,5]OO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[5,5]OO)(CCHH)	H(CCHO)	109.9660	0.108	8	109.9660	0.012	8	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[5]OO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[5]OO)(CCHH)	H(CCHO)	109.7340	0.636	79	109.7340	0.405	79	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[5]PdO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[5]PdO)(CCHH)	H(CCHO)	109.9515	0.362	15	109.9515	0.131	15	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[5a]OO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[5a]OO)(CCHH)	H(CCHO)	109.6980	0.795	31	109.6980	0.631	31	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[5a]OS)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[5a]OS)(CCHH)	H(CCHO)	109.9415	0.186	6	109.9415	0.035	6	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6,6]OO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6,6]OO)(CCHH)	H(CCHO)	109.9417	0.133	4	109.9417	0.018	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6]CO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6]CO)(CCHH)	H(CCHO)	109.8360	0.023	2	109.8360	0.001	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6]FeH)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6]FeH)(CCHH)	H(CCHO)	109.8410	0.054	2	109.8410	0.003	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6]OO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6]OO)(CCHH)	H(CCHO)	109.5332	0.496	49	109.5332	0.246	49	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]2Os)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]2Os)(CCHH)	H(CCHO)	107.0835	0.088	2	107.0835	0.008	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]2Ru)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]2Ru)(CCHH)	H(CCHO)	107.4520	2.642	2	107.4520	6.979	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]CO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]CO)(CCHH)	H(CCHO)	109.9980	0.238	12	109.9980	0.056	12	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]MnO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]MnO)(CCHH)	H(CCHO)	109.7909	0.569	16	109.7909	0.324	16	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]OO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]OO)(CCHH)	H(CCHO)	109.5042	1.725	75	109.5042	2.976	75	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]OS)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]OS)(CCHH)	H(CCHO)	109.2575	1.443	56	109.2575	2.082	56	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]OsO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]OsO)(CCHH)	H(CCHO)	109.5167	0.506	39	109.5167	0.256	39	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]ReO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]ReO)(CCHH)	H(CCHO)	109.4086	0.765	15	109.4086	0.585	15	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]RuO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]RuO)(CCHH)	H(CCHO)	108.3585	1.321	8	108.3585	1.746	8	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	109.9640	0.062	2	109.9640	0.004	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PCoOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PCoOO)(CCHH)	H(CCHO)	108.6434	1.490	61	108.6434	2.220	61	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PFeNO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PFeNO)(CCHH)	H(CCHO)	109.3851	0.719	30	109.3851	0.517	30	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PFeOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PFeOO)(CCHH)	H(CCHO)	109.6055	0.517	4	109.6055	0.267	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PIrOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PIrOO)(CCHH)	H(CCHO)	109.8947	0.367	17	109.8947	0.135	17	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PMnOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PMnOO)(CCHH)	H(CCHO)	108.7447	0.712	12	108.7447	0.507	12	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PMo2O)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PMo2O)(CCHH)	H(CCHO)	109.6195	0.043	4	109.6195	0.002	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PMoOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PMoOO)(CCHH)	H(CCHO)	109.7940	0.112	7	109.7940	0.013	7	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PN[5]OS)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PN[5]OS)(CCHH)	H(CCHO)	108.6887	0.806	8	108.6887	0.650	8	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PN[6]OO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PN[6]OO)(CCHH)	H(CCHO)	108.6655	1.168	6	108.6655	1.365	6	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	110.0060	0.024	2	110.0060	0.001	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PPdOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PPdOO)(CCHH)	H(CCHO)	109.8462	0.270	12	109.8462	0.073	12	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PPtOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PPtOO)(CCHH)	H(CCHO)	109.3318	0.216	6	109.3318	0.047	6	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PReOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PReOO)(CCHH)	H(CCHO)	109.8989	0.356	22	109.8989	0.127	22	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	109.7830	0.120	2	109.7830	0.014	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PRuOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PRuOO)(CCHH)	H(CCHO)	109.2920	1.079	85	109.2920	1.165	85	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CH3)(OP)(H)2	O(PSe2O)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PSe2O)(CCHH)	H(CCHO)	109.9211	0.345	8	109.9211	0.119	8	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHN)(OP)(H)2	O(PC[6a]2Fe)(CCHH)	H(CCHO)	C(CHHN)(OP)(H)2	O(PC[6a]2Fe)(CCHH)	H(CCHO)	109.8265	0.057	2	109.8265	0.003	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHN)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	C(CHHN)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	108.8807	0.714	19	108.8807	0.510	19	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHO)(OP)(H)2	O(PC[6a]2Ir)(CCHH)	H(CCHO)	C(CHHO)(OP)(H)2	O(PC[6a]2Ir)(CCHH)	H(CCHO)	110.3755	0.026	2	110.3755	0.001	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHO)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	C(CHHO)(OP)(H)2	O(PC[6a]SS)(CCHH)	H(CCHO)	109.6698	0.324	28	109.6698	0.105	28	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHO)(OP)(H)2	O(PC[6a]Se2)(CCHH)	H(CCHO)	C(CHHO)(OP)(H)2	O(PC[6a]Se2)(CCHH)	H(CCHO)	109.8128	0.599	12	109.8128	0.359	12	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHO)(OP)(H)2	O(PClNN)(CCHH)	H(CCHO)	C(CHHO)(OP)(H)2	O(PClNN)(CCHH)	H(CCHO)	109.0742	0.157	5	109.0742	0.025	5	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHP)(OP)(H)2	O(PIrOO)(CCHH)	H(CCHO)	C(CHHP)(OP)(H)2	O(PIrOO)(CCHH)	H(CCHO)	109.0125	0.057	2	109.0125	0.003	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHS)(OP)(H)2	O(PC[6a]Fe2)(CCHH)	H(CCHO)	C(CHHS)(OP)(H)2	O(PC[6a]Fe2)(CCHH)	H(CCHO)	108.8595	0.033	4	108.8595	0.001	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHS)(OP)(H)2	O(PClFe2)(CCHH)	H(CCHO)	C(CHHS)(OP)(H)2	O(PClFe2)(CCHH)	H(CCHO)	109.1580	0.049	2	109.1580	0.002	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHS)(OP)(H)2	O(PFe2O)(CCHH)	H(CCHO)	C(CHHS)(OP)(H)2	O(PFe2O)(CCHH)	H(CCHO)	109.1705	0.036	2	109.1705	0.001	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHS)(OP)(H)2	O(PMoOO)(CCHH)	H(CCHO)	C(CHHS)(OP)(H)2	O(PMoOO)(CCHH)	H(CCHO)	110.1480	0.307	12	110.1480	0.094	12	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHS)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	C(CHHS)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	109.2440	0.013	2	109.2440	0.000	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CHHS)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	C(CHHS)(OP)(H)2	O(PRuCC)(CCHH)	H(CCHO)	109.1487	0.437	6	109.1487	0.191	6	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CN[5]3)(OP)(H)2	O(PC[6a]2O)(CCHH)	H(CCHO)	C(CN[5]3)(OP)(H)2	O(PC[6a]2O)(CCHH)	H(CCHO)	110.2055	0.008	2	110.2055	0.000	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CN[5]HH)(OP)(H)2	O(PC[6a]2O)(CCHH)	H(CCHO)	C(CN[5]HH)(OP)(H)2	O(PC[6a]2O)(CCHH)	H(CCHO)	110.0820	0.042	2	110.0820	0.002	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CN[5a]HH)(OP)(H)2	O(PRuOO)(CCHH)	H(CCHO)	C(CN[5a]HH)(OP)(H)2	O(PRuOO)(CCHH)	H(CCHO)	110.2740	0.142	4	110.2740	0.020	4	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CNiCH)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	C(CNiCH)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	109.2610	0.353	16	109.2610	0.125	16	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(CNiHH)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	C(CNiHH)(OP)(H)2	O(PNiCC)(CCHH)	H(CCHO)	109.3855	0.011	2	109.3855	0.000	2	109.5506	1.016	1194	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CBrCH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CBrCH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.6830	0.024	2	110.6830	0.001	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC3)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC3)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.1487	0.281	42	110.1487	0.079	42	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCCH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CCCH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	109.8321	0.814	7	109.8321	0.663	7	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCFH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CCFH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.5880	0.000	1	110.5880	0.000	1	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCHH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CCHH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.2865	0.270	11	110.2865	0.073	11	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCHH)(OS)(H)2	O(SN[3]OO)(CCHH)	H(CCHO)	C(CCHH)(OS)(H)2	O(SN[3]OO)(CCHH)	H(CCHO)	106.7850	1.556	12	106.7850	2.422	12	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCHH)(OS)(H)2	O(SN[5]OO)(CCHH)	H(CCHO)	C(CCHH)(OS)(H)2	O(SN[5]OO)(CCHH)	H(CCHO)	109.6155	0.012	2	109.6155	0.000	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCHH)(OS)(H)2	O(SPdOO)(CCHH)	H(CCHO)	C(CCHH)(OS)(H)2	O(SPdOO)(CCHH)	H(CCHO)	110.0950	0.023	2	110.0950	0.001	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCHN)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CCHN)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.1590	0.048	4	110.1590	0.002	4	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[5,5]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[5,5]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.2560	0.038	2	110.2560	0.001	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[5]CH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[5]CH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	106.2400	0.998	2	106.2400	0.997	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[5]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[5]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	109.9515	0.012	2	109.9515	0.000	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[5a]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[5a]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.2417	0.295	4	110.2417	0.087	4	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[6]CH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[6]CH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.0600	0.000	1	110.0600	0.000	1	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[6]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[6]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.5965	0.061	4	110.5965	0.004	4	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[6]HH)(OS)(H)2	O(SN[6]OO)(CCHH)	H(CCHO)	C(CC[6]HH)(OS)(H)2	O(SN[6]OO)(CCHH)	H(CCHO)	109.3710	0.016	4	109.3710	0.000	4	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[6a]CC)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[6a]CC)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.2725	0.252	4	110.2725	0.064	4	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[6a]CH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[6a]CH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.0220	0.006	2	110.0220	0.000	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[6a]CN)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[6a]CN)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	109.7290	0.000	1	109.7290	0.000	1	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[6a]CO)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[6a]CO)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.1475	0.033	2	110.1475	0.001	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CC[6a]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CC[6a]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.1005	0.005	2	110.1005	0.000	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCl3)(OS)(H)2	O(SN[3]OO)(CCHH)	H(CCHO)	C(CCl3)(OS)(H)2	O(SN[3]OO)(CCHH)	H(CCHO)	110.1755	0.025	2	110.1755	0.001	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCl3)(OS)(H)2	O(SN[5]OO)(CCHH)	H(CCHO)	C(CCl3)(OS)(H)2	O(SN[5]OO)(CCHH)	H(CCHO)	109.9578	0.169	6	109.9578	0.029	6	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CCl3)(OS)(H)2	O(SN[6]OO)(CCHH)	H(CCHO)	C(CCl3)(OS)(H)2	O(SN[6]OO)(CCHH)	H(CCHO)	110.2260	0.081	2	110.2260	0.006	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CF3)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CF3)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	109.9040	0.021	2	109.9040	0.000	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CH3)(OS)(H)2	O(SC[6a]OP)(CCHH)	H(CCHO)	C(CH3)(OS)(H)2	O(SC[6a]OP)(CCHH)	H(CCHO)	110.4130	2.075	2	110.4130	4.304	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CHHN)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CHHN)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.5190	0.314	10	110.5190	0.099	10	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CHHO)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CHHO)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	109.5731	1.547	12	109.5731	2.393	12	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(CN[5]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	C(CN[5]HH)(OS)(H)2	O(SC[6a]OO)(CCHH)	H(CCHO)	110.4855	0.016	2	110.4855	0.000	2	109.7949	1.514	151	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CCCH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	C(CCCH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	109.5445	0.008	2	109.5445	0.000	2	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CCHH)(OSi)(H)2	O(SiCCN)(CCHH)	H(CCHO)	C(CCHH)(OSi)(H)2	O(SiCCN)(CCHH)	H(CCHO)	108.5485	2.436	2	108.5485	5.934	2	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CCHH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	C(CCHH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	109.1580	0.523	7	109.1580	0.274	7	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CCHN)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	C(CCHN)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	109.8365	0.176	4	109.8365	0.031	4	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CC[5]HH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	C(CC[5]HH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	109.8070	0.000	1	109.8070	0.000	1	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CC[5a]HH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	C(CC[5a]HH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	109.8780	0.023	2	109.8780	0.001	2	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CC[6]CH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	C(CC[6]CH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	110.1260	0.018	2	110.1260	0.000	2	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CC[6]HH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	C(CC[6]HH)(OSi)(H)2	O(SiC[6a]2C)(CCHH)	H(CCHO)	109.5942	0.614	6	109.5942	0.377	6	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CH3)(OSi)(H)2	O(SiCOO)(CCHH)	H(CCHO)	C(CH3)(OSi)(H)2	O(SiCOO)(CCHH)	H(CCHO)	109.3913	0.550	6	109.3913	0.303	6	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CH3)(OSi)(H)2	O(SiC[6a]CO)(CCHH)	H(CCHO)	C(CH3)(OSi)(H)2	O(SiC[6a]CO)(CCHH)	H(CCHO)	109.5678	0.369	6	109.5678	0.136	6	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CH3)(OSi)(H)2	O(SiC[6a]PtO)(CCHH)	H(CCHO)	C(CH3)(OSi)(H)2	O(SiC[6a]PtO)(CCHH)	H(CCHO)	109.8840	0.051	3	109.8840	0.003	3	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CH3)(OSi)(H)2	O(SiNiOO)(CCHH)	H(CCHO)	C(CH3)(OSi)(H)2	O(SiNiOO)(CCHH)	H(CCHO)	109.3214	0.209	5	109.3214	0.044	5	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CH3)(OSi)(H)2	O(SiRhOO)(CCHH)	H(CCHO)	C(CH3)(OSi)(H)2	O(SiRhOO)(CCHH)	H(CCHO)	108.7365	1.491	12	108.7365	2.224	12	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CHHN)(OSi)(H)2	O(SiCOO)(CCHH)	H(CCHO)	C(CHHN)(OSi)(H)2	O(SiCOO)(CCHH)	H(CCHO)	109.7760	0.794	56	109.7760	0.630	56	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CHHN)(OSi)(H)2	O(SiClCO)(CCHH)	H(CCHO)	C(CHHN)(OSi)(H)2	O(SiClCO)(CCHH)	H(CCHO)	110.1028	0.053	4	110.1028	0.003	4	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CHHN)(OSi)(H)2	O(SiOsOO)(CCHH)	H(CCHO)	C(CHHN)(OSi)(H)2	O(SiOsOO)(CCHH)	H(CCHO)	108.8695	0.125	6	108.8695	0.016	6	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CHHN)(OSi)(H)2	O(SiSiOO)(CCHH)	H(CCHO)	C(CHHN)(OSi)(H)2	O(SiSiOO)(CCHH)	H(CCHO)	109.2099	0.862	49	109.2099	0.742	49	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(CHHN)(OSi)(H)2	O(SiSi[6]OO)(CCHH)	H(CCHO)	C(CHHN)(OSi)(H)2	O(SiSi[6]OO)(CCHH)	H(CCHO)	109.9028	0.082	13	109.9028	0.007	13	109.4784	0.719	186	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3,5]C[3,5,5]C[3]C[5])(OC)(H)2	O(CC[3,5]HH)(CH3)	H(CC[3,5]HO)	C(C[3,5]C[3,5,5]C[3]C[5])(OC)(H)2	O(CC[3,5]HH)(CH3)	H(CC[3,5]HO)	109.7805	0.046	2	109.7805	0.002	2	109.7805	0.002	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[3,5]C[3,5,5]C[3,5]C[5])(OSi)(H)2	O(CC[3,5]HH)(SiC3)	H(CC[3,5]HO)	C(C[3,5]C[3,5,5]C[3,5]C[5])(OSi)(H)2	O(CC[3,5]HH)(SiC3)	H(CC[3,5]HO)	109.9522	0.020	4	109.9522	0.000	4	109.9449	0.001	8	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3,5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	O(CC[3,5]HH)(SiC[6a]2C)	H(CC[3,5]HO)	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	O(CC[3,5]HH)(SiC[6a]2C)	H(CC[3,5]HO)	109.9375	0.040	4	109.9375	0.002	4	109.9449	0.001	8	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(OC)(H)2	O(CC[3,6]HH)(CH3)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[3]C[6])(OC)(H)2	O(CC[3,6]HH)(CH3)	H(CC[3,6]HO)	108.7620	0.000	1	108.7620	0.000	1	109.4960	0.404	3	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O(CC[3,6]HH)(CC[6a]HH)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O(CC[3,6]HH)(CC[6a]HH)	H(CC[3,6]HO)	109.8630	0.010	2	109.8630	0.000	2	109.4960	0.404	3	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	O(CC[3,6]HH)(SC[6a]OO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	O(CC[3,6]HH)(SC[6a]OO)	H(CC[3,6]HO)	110.4680	0.020	2	110.4680	0.000	2	110.4680	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3,6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[3,6]C[3,6]C[6]N[3])(OSi)(H)2	O(CC[3,6]HH)(SiCCO)	H(CC[3,6]HO)	C(C[3,6]C[3,6]C[6]N[3])(OSi)(H)2	O(CC[3,6]HH)(SiCCO)	H(CC[3,6]HO)	107.7095	2.816	2	107.7095	7.932	2	107.7095	7.932	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]2C)(OC)(H)2	O(CC[3]HH)(CCHH)	H(CC[3]HO)	C(C[3]C[3]2C)(OC)(H)2	O(CC[3]HH)(CCHH)	H(CC[3]HO)	110.5950	1.510	2	110.5950	2.281	2	109.3762	0.967	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]2H)(OC)(H)2	O(CC[6a]CH)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]2H)(OC)(H)2	O(CC[6a]CH)(CC[3]HH)	H(CC[3]HO)	108.4735	0.012	2	108.4735	0.000	2	109.3762	0.967	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]2H)(OC)(H)2	O(CC[6a]HH)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]2H)(OC)(H)2	O(CC[6a]HH)(CC[3]HH)	H(CC[3]HO)	110.2754	0.245	5	110.2754	0.060	5	109.3762	0.967	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]2H)(OC)(H)2	O(CN[6a]HH)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]2H)(OC)(H)2	O(CN[6a]HH)(CC[3]HH)	H(CC[3]HO)	109.8727	0.164	4	109.8727	0.027	4	109.3762	0.967	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]N[3]H)(OC)(H)2	O(CC[3]HH)(CCHO)	H(CC[3]HO)	C(C[3]C[3]N[3]H)(OC)(H)2	O(CC[3]HH)(CCHO)	H(CC[3]HO)	108.6676	0.561	10	108.6676	0.314	10	109.3762	0.967	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]N[3]H)(OC)(H)2	O(CC[3]HH)(CHHO)	H(CC[3]HO)	C(C[3]C[3]N[3]H)(OC)(H)2	O(CC[3]HH)(CHHO)	H(CC[3]HO)	108.0165	0.590	4	108.0165	0.348	4	109.3762	0.967	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]N[3]H)(OC)(H)2	O(CC[6a]HH)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]N[3]H)(OC)(H)2	O(CC[6a]HH)(CC[3]HH)	H(CC[3]HO)	110.3562	0.277	6	110.3562	0.076	6	109.3762	0.967	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(OC)(H)2	O(CC[5a]C[6a]H)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[6a]C[3]O[3])(OC)(H)2	O(CC[5a]C[6a]H)(CC[3]HH)	H(CC[3]HO)	109.0970	0.014	2	109.0970	0.000	2	109.3762	0.967	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(OC)(H)2	O(CC[6a]CH)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[6a]C[3]O[3])(OC)(H)2	O(CC[6a]CH)(CC[3]HH)	H(CC[3]HO)	109.4215	0.047	2	109.4215	0.002	2	109.3762	0.967	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[3]C[3]2H)(OSi)(H)2	O(CC[3]HH)(SiC3)	H(CC[3]HO)	C(C[3]C[3]2H)(OSi)(H)2	O(CC[3]HH)(SiC3)	H(CC[3]HO)	110.1450	0.263	4	110.1450	0.069	4	110.0077	0.096	13	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[3]C[3]N[3]H)(OSi)(H)2	O(CC[3]HH)(SiC3)	H(CC[3]HO)	C(C[3]C[3]N[3]H)(OSi)(H)2	O(CC[3]HH)(SiC3)	H(CC[3]HO)	110.0491	0.291	7	110.0491	0.085	7	110.0077	0.096	13	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[3]C[3]P[3]H)(OSi)(H)2	O(CC[3]HH)(SiC3)	H(CC[3]HO)	C(C[3]C[3]P[3]H)(OSi)(H)2	O(CC[3]HH)(SiC3)	H(CC[3]HO)	109.5880	0.030	2	109.5880	0.001	2	110.0077	0.096	13	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C-4:	C-4:	C(C[3]C[6a]C[3]2)(OC[3])(H)2	O(C[3]C[3]2H)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[6a]C[3]2)(OC[3])(H)2	O(C[3]C[3]2H)(CC[3]HH)	H(CC[3]HO)	108.9170	0.793	2	108.9170	0.629	2	108.9170	0.629	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	H(CC[3]HO)	108.3398	0.921	4	108.3398	0.849	4	108.3398	0.849	4	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[3]C[3]O[3]C)(OSi)(H)2	O(SiC[6a]2C)(CC[3]HH)	H(CC[3]HO)	C(C[3]C[3]O[3]C)(OSi)(H)2	O(SiC[6a]2C)(CC[3]HH)	H(CC[3]HO)	109.9665	0.012	2	109.9665	0.000	2	109.9665	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3x4,3x6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(OS)(H)2	O(CC[3x4,3x6]HH)(SCOO)	H(CC[3x4,3x6]HO)	C(C[3x4,3x6]C[3x4,3x6]3)(OS)(H)2	O(CC[3x4,3x6]HH)(SCOO)	H(CC[3x4,3x6]HO)	110.3460	0.010	2	110.3460	0.000	2	110.3460	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[3x6]C[6,6,6a]3)(OC)(H)2	O(CC[3x6]HH)(CCHH)	H(CC[3x6]HO)	C(C[3x6]C[6,6,6a]3)(OC)(H)2	O(CC[3x6]HH)(CCHH)	H(CC[3x6]HO)	109.6810	0.089	3	109.6810	0.008	3	109.6810	0.008	3	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[3x6]C[6,6]3)(OS)(H)2	O(CC[3x6]HH)(SC[6a]OO)	H(CC[3x6]HO)	C(C[3x6]C[6,6]3)(OS)(H)2	O(CC[3x6]HH)(SC[6a]OO)	H(CC[3x6]HO)	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	O(CC[3x6]HH)(SiC3)	H(CC[3x6]HO)	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	O(CC[3x6]HH)(SiC3)	H(CC[3x6]HO)	109.7200	0.000	1	109.7200	0.000	1	109.7728	0.019	5	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	O(CC[3x6]HH)(SiC[6a]2C)	H(CC[3x6]HO)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	O(CC[3x6]HH)(SiC[6a]2C)	H(CC[3x6]HO)	109.7860	0.155	4	109.7860	0.024	4	109.7728	0.019	5	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4,4]-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[4,4]C[4,4]C[4,6]2)(OC[6])(H)2	O(C[6]C[6]2O)(CC[4,4]HH)	H(CC[4,4]HO)	C(C[4,4]C[4,4]C[4,6]2)(OC[6])(H)2	O(C[6]C[6]2O)(CC[4,4]HH)	H(CC[4,4]HO)	109.2987	0.222	4	109.2987	0.049	4	109.3397	0.089	8	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4,4]-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[4,4]C[4,6a]2C[4,4])(OC[6])(H)2	O(C[6]C[6]2O)(CC[4,4]HH)	H(CC[4,4]HO)	C(C[4,4]C[4,6a]2C[4,4])(OC[6])(H)2	O(C[6]C[6]2O)(CC[4,4]HH)	H(CC[4,4]HO)	109.3808	0.392	4	109.3808	0.154	4	109.3397	0.089	8	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4,5,5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[4,5,5]C[5,5,6]C[4,5]O[4,5])(OC)(H)2	O(CC[4,5,5]HH)(CCHH)	H(CC[4,5,5]HO)	C(C[4,5,5]C[5,5,6]C[4,5]O[4,5])(OC)(H)2	O(CC[4,5,5]HH)(CCHH)	H(CC[4,5,5]HO)	109.2728	0.909	4	109.2728	0.825	4	109.2728	0.825	4	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[4]C[4,5]C[4]H)(OC)(H)2	O(CC[4]HH)(CHHO)	H(CC[4]HO)	C(C[4]C[4,5]C[4]H)(OC)(H)2	O(CC[4]HH)(CHHO)	H(CC[4]HO)	108.6230	0.000	1	108.6230	0.000	1	109.5607	4.372	26	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[4]C[4,6]N[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a]3)	H(CC[4]HO)	C(C[4]C[4,6]N[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a]3)	H(CC[4]HO)	110.5770	0.000	1	110.5770	0.000	1	109.5607	4.372	26	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[4]C[4]2C)(OC)(H)2	O(CC[6a]HH)(CC[4]HH)	H(CC[4]HO)	C(C[4]C[4]2C)(OC)(H)2	O(CC[6a]HH)(CC[4]HH)	H(CC[4]HO)	109.4980	0.000	1	109.4980	0.000	1	109.5607	4.372	26	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[4]C[4]2H)(OC)(H)2	O(CC[4]HH)(CCHH)	H(CC[4]HO)	C(C[4]C[4]2H)(OC)(H)2	O(CC[4]HH)(CCHH)	H(CC[4]HO)	103.7955	5.236	2	103.7955	27.417	2	109.5607	4.372	26	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[4]HH)(CCHH)	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[4]HH)(CCHH)	H(CC[4]HO)	109.0495	0.030	2	109.0495	0.001	2	109.5607	4.372	26	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a]3)	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[4]HH)(CC[6a]3)	H(CC[4]HO)	110.5612	0.486	10	110.5612	0.236	10	109.5607	4.372	26	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[6a]HH)(CC[4]HH)	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OC)(H)2	O(CC[6a]HH)(CC[4]HH)	H(CC[4]HO)	109.8420	0.123	9	109.8420	0.015	9	109.5607	4.372	26	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[4]C[4]N[4]H)(OSi)(H)2	O(CC[4]HH)(SiC3)	H(CC[4]HO)	C(C[4]C[4]N[4]H)(OSi)(H)2	O(CC[4]HH)(SiC3)	H(CC[4]HO)	109.2035	0.009	2	109.2035	0.000	2	109.2035	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(C[4]C[4]2H)(OP)(H)2	O(PC[6a]OO)(CC[4]HH)	H(CC[4]HO)	C(C[4]C[4]2H)(OP)(H)2	O(PC[6a]OO)(CC[4]HH)	H(CC[4]HO)	109.6470	0.017	2	109.6470	0.000	2	109.6470	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[4]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[4]C[4]2N)(OSi)(H)2	O(SiC[6a]2C)(CC[4]HH)	H(CC[4]HO)	C(C[4]C[4]2N)(OSi)(H)2	O(SiC[6a]2C)(CC[4]HH)	H(CC[4]HO)	110.9502	1.627	10	110.9502	2.648	10	110.9502	2.648	10	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	O(CC[5,5,6]HH)(CH3)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	O(CC[5,5,6]HH)(CH3)	H(CC[5,5,6]HO)	109.8508	0.113	4	109.8508	0.013	4	109.9573	0.105	20	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	O(CC[5,5,6]HH)(CH3)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	O(CC[5,5,6]HH)(CH3)	H(CC[5,5,6]HO)	109.9839	0.357	16	109.9839	0.127	16	109.9573	0.105	20	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	O(CC[5,5,6]HH)(SCOO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	O(CC[5,5,6]HH)(SCOO)	H(CC[5,5,6]HO)	109.8120	0.023	2	109.8120	0.001	2	109.8120	0.001	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	O(CC[5,5,6]HH)(SiC3)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	O(CC[5,5,6]HH)(SiC3)	H(CC[5,5,6]HO)	109.6420	0.136	4	109.6420	0.019	4	109.4852	0.032	10	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	O(CC[5,5,6]HH)(SiC3)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	O(CC[5,5,6]HH)(SiC3)	H(CC[5,5,6]HO)	109.4240	0.004	2	109.4240	0.000	2	109.4852	0.032	10	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(OSi)(H)2	O(CC[5,5,6]HH)(SiC3)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(OSi)(H)2	O(CC[5,5,6]HH)(SiC3)	H(CC[5,5,6]HO)	109.4800	0.027	2	109.4800	0.001	2	109.4852	0.032	10	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	O(CC[5,5,6]HH)(SiC3)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	O(CC[5,5,6]HH)(SiC3)	H(CC[5,5,6]HO)	109.2380	0.035	2	109.2380	0.001	2	109.4852	0.032	10	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	O(CC[5,5]HH)(CC[6a]HH)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	O(CC[5,5]HH)(CC[6a]HH)	H(CC[5,5]HO)	109.4125	0.026	2	109.4125	0.001	2	111.6864	5.651	7	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	O(CC[5,5]HH)(CC[6a]HH)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	O(CC[5,5]HH)(CC[6a]HH)	H(CC[5,5]HO)	113.3965	1.485	4	113.3965	2.204	4	111.6864	5.651	7	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	O(CC[5,5]HH)(CC[6a]HH)	H(CC[5,5]HO)	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	O(CC[5,5]HH)(CC[6a]HH)	H(CC[5,5]HO)	109.3940	0.000	1	109.3940	0.000	1	111.6864	5.651	7	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	O(CC[5,5]HH)(SCOO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	O(CC[5,5]HH)(SCOO)	H(CC[5,5]HO)	109.9200	0.191	4	109.9200	0.036	4	109.9200	0.036	4	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	O(CC[5,5]HH)(SiC3)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	O(CC[5,5]HH)(SiC3)	H(CC[5,5]HO)	109.5875	0.011	2	109.5875	0.000	2	109.5875	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	O(CC[5,6]C[6a]C)(CC[5,6]HH)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	O(CC[5,6]C[6a]C)(CC[5,6]HH)	H(CC[5,6]HO)	109.3623	0.223	3	109.3623	0.050	3	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	O(CC[5,6]C[6a]H)(CC[5,6]HH)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	O(CC[5,6]C[6a]H)(CC[5,6]HH)	H(CC[5,6]HO)	107.9335	0.035	2	107.9335	0.001	2	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	O(CC[5,6]HH)(CCHH)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	O(CC[5,6]HH)(CCHH)	H(CC[5,6]HO)	109.9635	0.042	2	109.9635	0.002	2	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	O(CC[5,6]HH)2	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	O(CC[5,6]HH)2	H(CC[5,6]HO)	108.9755	2.650	24	108.9755	7.025	24	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(OC)(H)2	O(CC[5,6]HH)(CC[6a]HH)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2C[6])(OC)(H)2	O(CC[5,6]HH)(CC[6a]HH)	H(CC[5,6]HO)	109.9778	0.033	6	109.9778	0.001	6	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(OC)(H)2	O(CC[5,6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2C[6])(OC)(H)2	O(CC[5,6]HH)(CHHO)	H(CC[5,6]HO)	109.6310	0.017	2	109.6310	0.000	2	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,6]2O)(OC)(H)2	O(CC[5,6]HH)(CH3)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2O)(OC)(H)2	O(CC[5,6]HH)(CH3)	H(CC[5,6]HO)	109.7745	0.042	2	109.7745	0.002	2	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CCCO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CCCO)	H(CC[5,6]HO)	108.2985	0.325	2	108.2985	0.105	2	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	O(CC[5,6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	O(CC[5,6]HH)(CHHO)	H(CC[5,6]HO)	109.8155	0.021	2	109.8155	0.000	2	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	O(CC[5,6]HH)(CC3)	H(CC[5,6]HO)	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	O(CC[5,6]HH)(CC3)	H(CC[5,6]HO)	110.2580	0.021	2	110.2580	0.000	2	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CH3)	H(CC[5,6]HO)	C(C[5,6]N[5,6]C[5]C[6])(OC)(H)2	O(CC[5,6]HH)(CH3)	H(CC[5,6]HO)	109.0121	0.301	8	109.0121	0.090	8	109.2148	3.289	55	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	O(CC[5,6]HH)(PC[6a]2S)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	O(CC[5,6]HH)(PC[6a]2S)	H(CC[5,6]HO)	109.3562	1.496	6	109.3562	2.239	6	109.3562	2.239	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	O(CC[5,6]HH)(SC[6a]OO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	O(CC[5,6]HH)(SC[6a]OO)	H(CC[5,6]HO)	110.2525	0.442	4	110.2525	0.196	4	110.0946	0.143	14	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	O(CC[5,6]HH)(SC3)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	O(CC[5,6]HH)(SC3)	H(CC[5,6]HO)	109.4580	0.016	2	109.4580	0.000	2	110.0946	0.143	14	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	O(CC[5,6]HH)(SC[6a]OO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	O(CC[5,6]HH)(SC[6a]OO)	H(CC[5,6]HO)	110.1118	0.244	4	110.1118	0.060	4	110.0946	0.143	14	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	O(CC[5,6]HH)(SNOO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	O(CC[5,6]HH)(SNOO)	H(CC[5,6]HO)	110.0840	0.031	2	110.0840	0.001	2	110.0946	0.143	14	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	O(CC[5,6]HH)(SC[6a]OO)	H(CC[5,6]HO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	O(CC[5,6]HH)(SC[6a]OO)	H(CC[5,6]HO)	110.3920	0.010	2	110.3920	0.000	2	110.0946	0.143	14	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	O(CC[5,6]HH)(SiC3)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	O(CC[5,6]HH)(SiC3)	H(CC[5,6]HO)	109.2390	0.079	2	109.2390	0.006	2	109.1788	0.018	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	O(CC[5,6]HH)(SiC3)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	O(CC[5,6]HH)(SiC3)	H(CC[5,6]HO)	109.1488	0.154	4	109.1488	0.024	4	109.1788	0.018	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	B[3x6]-4:C-4:	C-4:	C(C[5]C[5]2Fe)(OB[3x6])(H)2	O(B[3x6]N[5a,6,6]3)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OB[3x6])(H)2	O(B[3x6]N[5a,6,6]3)(CC[5]HH)	H(CC[5]HO)	109.8320	0.024	2	109.8320	0.001	2	109.8320	0.001	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[3]C[5]O[5])(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[3]C[5]O[5])(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	110.2805	0.032	2	110.2805	0.001	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[4,5]N[5]C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[4,5]N[5]C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	111.2945	0.725	2	111.2945	0.525	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[4,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CHHO)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CHHO)	H(CC[5]HO)	107.8135	0.012	2	107.8135	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5,5]C[5]C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	109.8470	0.000	1	109.8470	0.000	1	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	110.3435	1.855	2	110.3435	3.440	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]O)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5,5]C[5]O)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	109.8732	0.839	4	109.8732	0.704	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	110.1050	0.040	2	110.1050	0.002	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	110.1225	1.092	2	110.1225	1.194	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	108.6750	0.027	4	108.6750	0.001	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	110.5715	2.146	2	110.5715	4.606	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	110.1098	0.067	4	110.1098	0.005	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CC[5]HO)	110.4355	0.012	2	110.4355	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	110.2405	0.049	2	110.2405	0.002	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	109.8782	0.264	4	109.8782	0.070	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	108.9290	0.025	2	108.9290	0.001	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(OC)(H)2	O(CC[5]HH)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	O(CC[5]HH)(CHHO)	H(CC[5]HO)	109.8810	0.279	8	109.8810	0.078	8	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	O(CC[5]HH)(CCCO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	O(CC[5]HH)(CCCO)	H(CC[5]HO)	108.7645	0.100	2	108.7645	0.010	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CC[5]HO)	110.4210	0.006	2	110.4210	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	109.7830	0.000	1	109.7830	0.000	1	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	109.7982	0.162	22	109.7982	0.026	22	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	110.1160	0.338	4	110.1160	0.114	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CC[5]HO)	108.8590	0.000	1	108.8590	0.000	1	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	109.4521	0.289	8	109.4521	0.084	8	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	109.8942	0.039	4	109.8942	0.002	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[5a]HH)(CC[5]HH)	H(CC[5]HO)	106.2073	1.708	4	106.2073	2.918	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[6a]CH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[6a]CH)(CC[5]HH)	H(CC[5]HO)	110.0765	0.019	2	110.0765	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2Fe)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	109.9390	0.170	4	109.9390	0.029	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	110.1980	0.052	5	110.1980	0.003	5	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2H)(OC)(H)2	O(CC[6a]2O)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	O(CC[6a]2O)(CC[5]HH)	H(CC[5]HO)	109.6197	0.205	4	109.6197	0.042	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	109.0575	1.276	4	109.0575	1.629	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Ir)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5]2Ir)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	110.2085	0.321	4	110.2085	0.103	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2O)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	110.0405	0.624	15	110.0405	0.389	15	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2O)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	109.7760	0.818	4	109.7760	0.670	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2O[5])(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	C(C[5]C[5]2O[5])(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	108.8885	0.004	2	108.8885	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Ru)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5]2Ru)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	109.9090	3.777	2	109.9090	14.268	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Ru)(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	C(C[5]C[5]2Ru)(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	110.3740	0.018	2	110.3740	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[5]HH)(CC3)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[5]HH)(CC3)	H(CC[5]HO)	110.2160	0.137	5	110.2160	0.019	5	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[5]HH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[5]HH)(CHHO)	H(CC[5]HO)	108.3770	1.543	2	108.3770	2.381	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	110.3735	0.009	2	110.3735	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CC3)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CC3)	H(CC[5]HO)	110.3414	0.271	8	110.3414	0.073	8	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	110.0242	0.244	4	110.0242	0.060	4	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	109.4923	1.638	55	109.4923	2.683	55	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	108.8435	0.012	2	108.8435	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[5a]HH)(CC[5]HH)	H(CC[5]HO)	110.1727	0.015	3	110.1727	0.000	3	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	109.8140	0.000	1	109.8140	0.000	1	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	110.1350	0.006	2	110.1350	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CC[6a]3)	H(CC[5]HO)	110.3366	0.351	5	110.3366	0.123	5	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	110.6000	1.080	6	110.6000	1.165	6	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[5]HH)2	H(CC[5]HO)	109.7032	0.733	10	109.7032	0.537	10	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	109.9508	0.304	18	109.9508	0.092	18	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]O)(OC)(H)2	O(CC[5]HH)(CCCO)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OC)(H)2	O(CC[5]HH)(CCCO)	H(CC[5]HO)	108.8870	0.011	2	108.8870	0.000	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]O)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	109.7830	0.030	2	109.7830	0.001	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]H)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OC)(H)2	O(CC[5]HH)(CCHH)	H(CC[5]HO)	109.8440	0.034	2	109.8440	0.001	2	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OC)(H)2	O(CC[6a]HH)(CC[5]HH)	H(CC[5]HO)	109.5259	1.089	8	109.5259	1.187	8	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5]S[5]2H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	C(C[5]S[5]2H)(OC)(H)2	O(CC[5]HH)(CH3)	H(CC[5]HO)	110.8330	3.282	6	110.8330	10.770	6	109.7616	1.378	284	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[5]C[5,5]O[5]H)(OP)(H)2	O(CC[5]HH)(PO3)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OP)(H)2	O(CC[5]HH)(PO3)	H(CC[5]HO)	110.4838	0.718	4	110.4838	0.516	4	109.9536	0.388	30	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[5]C[5]O[5]H)(OP)(H)2	O(CC[5]HH)(PNOO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP)(H)2	O(CC[5]HH)(PNOO)	H(CC[5]HO)	109.8292	0.573	5	109.8292	0.328	5	109.9536	0.388	30	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[5]C[5]O[5]H)(OP)(H)2	O(CC[5]HH)(PO3)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP)(H)2	O(CC[5]HH)(PO3)	H(CC[5]HO)	109.8822	0.595	21	109.8822	0.354	21	109.9536	0.388	30	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5]C[5,5]C[5]H)(OS)(H)2	O(CC[5]HH)(SCOO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OS)(H)2	O(CC[5]HH)(SCOO)	H(CC[5]HO)	110.2405	0.013	2	110.2405	0.000	2	110.0941	0.024	12	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5]C[5]O[5]C)(OS)(H)2	O(CC[5]HH)(SCOO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OS)(H)2	O(CC[5]HH)(SCOO)	H(CC[5]HO)	110.2043	0.079	4	110.2043	0.006	4	110.0941	0.024	12	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	O(CC[5]HH)(SCOO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	O(CC[5]HH)(SCOO)	H(CC[5]HO)	110.0790	0.018	2	110.0790	0.000	2	110.0941	0.024	12	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	O(CC[5]HH)(SNOO)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	O(CC[5]HH)(SNOO)	H(CC[5]HO)	109.9183	0.099	4	109.9183	0.010	4	110.0941	0.024	12	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[4]C[5]N[5])(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]C[4]C[5]N[5])(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	109.6515	0.018	2	109.6515	0.000	2	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5,5]C[5]O)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]C[5,5]C[5]O)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	109.9740	0.000	1	109.9740	0.000	1	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	110.1400	0.136	4	110.1400	0.019	4	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5,6]O[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	109.6770	0.027	2	109.6770	0.001	2	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]2C)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]C[5]2C)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	109.3855	0.054	2	109.3855	0.003	2	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]2H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]C[5]2H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	110.1815	1.945	4	110.1815	3.784	4	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]2H)(OSi)(H)2	O(CC[5]HH)(SiCCO)	H(CC[5]HO)	C(C[5]C[5]2H)(OSi)(H)2	O(CC[5]HH)(SiCCO)	H(CC[5]HO)	108.7210	0.024	2	108.7210	0.001	2	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]N[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	109.8335	0.015	2	109.8335	0.000	2	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]O[5]C)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	109.5300	0.187	4	109.5300	0.035	4	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	109.6482	0.771	25	109.6482	0.594	25	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[5]N[5,5]C[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OSi)(H)2	O(CC[5]HH)(SiC3)	H(CC[5]HO)	110.7070	1.175	2	110.7070	1.381	2	109.7307	0.679	50	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[5]C[5]2H)(OC[5])(H)2	O(C[5]C[5,6a]C[5]C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2H)(OC[5])(H)2	O(C[5]C[5,6a]C[5]C)(CC[5]HH)	H(CC[5]HO)	107.7230	1.783	2	107.7230	3.180	2	108.4652	0.974	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5]HH)	H(CC[5]HO)	108.9075	0.018	2	108.9075	0.000	2	108.4652	0.974	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[5]HH)	H(CC[5]HO)	108.7650	0.132	2	108.7650	0.017	2	108.4652	0.974	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[5]HH)	H(CC[5]HO)	110.0855	0.006	2	110.0855	0.000	2	110.0855	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	P[6]-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OP[6])(H)2	O(P[6]O[6]2O)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP[6])(H)2	O(P[6]O[6]2O)(CC[5]HH)	H(CC[5]HO)	109.4565	0.006	2	109.4565	0.000	2	109.4565	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[5]C[5]2C)(OS)(H)2	O(SC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2C)(OS)(H)2	O(SC[6a]2C)(CC[5]HH)	H(CC[5]HO)	109.1240	0.048	2	109.1240	0.002	2	109.9293	1.429	48	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[5]C[5]2H)(OS)(H)2	O(SC[6a]OO)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2H)(OS)(H)2	O(SC[6a]OO)(CC[5]HH)	H(CC[5]HO)	110.3035	0.160	6	110.3035	0.026	6	109.9293	1.429	48	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(OS)(H)2	O(SC[6a]OO)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OS)(H)2	O(SC[6a]OO)(CC[5]HH)	H(CC[5]HO)	109.1365	2.576	2	109.1365	6.636	2	109.9293	1.429	48	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OS)(H)2	O(SC[6a]OO)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OS)(H)2	O(SC[6a]OO)(CC[5]HH)	H(CC[5]HO)	110.3784	0.358	5	110.3784	0.128	5	109.9293	1.429	48	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	O(SC[6a]OO)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	O(SC[6a]OO)(CC[5]HH)	H(CC[5]HO)	109.8900	1.316	33	109.8900	1.732	33	109.9293	1.429	48	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5,5]C[5]C)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	109.1300	0.042	2	109.1300	0.002	2	109.5454	0.302	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	110.0715	0.363	4	110.0715	0.132	4	109.5454	0.302	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5]2C)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2C)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	109.2741	0.692	8	109.2741	0.479	8	109.5454	0.302	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5]2O)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2O)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	110.0975	0.050	2	110.0975	0.003	2	109.5454	0.302	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5]2O[5])(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]2O[5])(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	109.2695	0.060	2	109.2695	0.004	2	109.5454	0.302	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	108.9405	0.809	4	108.9405	0.654	4	109.5454	0.302	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	109.5760	0.023	2	109.5760	0.001	2	109.5454	0.302	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	109.7374	0.112	10	109.7374	0.013	10	109.5454	0.302	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[5]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[5]N[5,6]C[5]H)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	O(SiC[6a]2C)(CC[5]HH)	H(CC[5]HO)	109.8057	0.327	3	109.8057	0.107	3	109.5454	0.302	37	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6,6]C[3x6]2O)(OC)(H)2	O(CC[6,6]HH)(CH3)	H(CC[6,6]HO)	C(C[6,6]C[3x6]2O)(OC)(H)2	O(CC[6,6]HH)(CH3)	H(CC[6,6]HO)	109.4065	0.037	2	109.4065	0.001	2	109.5729	0.986	36	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	O(CC[6,6]HH)(CH3)	H(CC[6,6]HO)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	O(CC[6,6]HH)(CH3)	H(CC[6,6]HO)	109.5774	1.129	27	109.5774	1.274	27	109.5729	0.986	36	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6,6]C[6,6]2C[6])(OC)(H)2	O(CC[6,6]HH)(CC[6a]HH)	H(CC[6,6]HO)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	O(CC[6,6]HH)(CC[6a]HH)	H(CC[6,6]HO)	109.1820	0.000	1	109.1820	0.000	1	109.5729	0.986	36	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6,6]C[6,6]2C[6])(OC)(H)2	O(CC[6,6]HH)(CHHO)	H(CC[6,6]HO)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	O(CC[6,6]HH)(CHHO)	H(CC[6,6]HO)	109.4260	0.008	2	109.4260	0.000	2	109.5729	0.986	36	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	O(CC[6,6]HH)(CH3)	H(CC[6,6]HO)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	O(CC[6,6]HH)(CH3)	H(CC[6,6]HO)	109.7972	0.555	4	109.7972	0.308	4	109.5729	0.986	36	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	O(CC[6,6]HH)(SiC3)	H(CC[6,6]HO)	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	O(CC[6,6]HH)(SiC3)	H(CC[6,6]HO)	110.0980	0.007	2	110.0980	0.000	2	110.0980	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[3,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[3,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	110.2205	0.013	2	110.2205	0.000	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[5,5,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[5,5,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	109.8775	0.061	4	109.8775	0.004	4	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[5,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[5,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	109.2327	0.592	4	109.2327	0.350	4	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	110.2075	0.057	2	110.2075	0.003	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]3)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]3)	H(CC[6]HO)	110.4642	0.041	4	110.4642	0.002	4	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	110.1120	0.092	3	110.1120	0.008	3	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	110.0970	0.089	2	110.0970	0.008	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[5a,6]C[6,6]C)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[5a,6]C[6,6]C)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.1435	0.018	2	109.1435	0.000	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	109.1140	3.057	14	109.1140	9.343	14	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6,6]C[6]C)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	110.1475	0.021	2	110.1475	0.000	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CHHO)	H(CC[6]HO)	C(C[6]C[6,6]C[6]H)(OC)(H)2	O(CC[6]HH)(CHHO)	H(CC[6]HO)	109.4855	0.053	2	109.4855	0.003	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[6,6]O[6]H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	109.2305	0.022	2	109.2305	0.000	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)2	H(CC[6]HO)	C(C[6]C[6]2C)(OC)(H)2	O(CC[6]HH)2	H(CC[6]HO)	109.9455	0.117	6	109.9455	0.014	6	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2C)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2C)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.9230	0.250	4	109.9230	0.062	4	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]CH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]CH)(CC[6]HH)	H(CC[6]HO)	108.9815	0.032	2	108.9815	0.001	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	110.0337	0.031	4	110.0337	0.001	4	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[6]2H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	110.2645	0.026	2	110.2645	0.001	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.8390	0.570	15	109.8390	0.325	15	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2N)(OC)(H)2	O(CC[6]HH)(CSnHH)	H(CC[6]HO)	C(C[6]C[6]2N)(OC)(H)2	O(CC[6]HH)(CSnHH)	H(CC[6]HO)	110.2770	0.006	2	110.2770	0.000	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2O)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2O)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.9520	0.033	2	109.9520	0.001	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2P)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[6]2P)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	109.8193	0.176	6	109.8193	0.031	6	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[6]O[6]C)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	110.0295	0.005	2	110.0295	0.000	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCCH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCCH)	H(CC[6]HO)	109.6640	0.021	2	109.6640	0.000	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	109.7797	0.559	27	109.7797	0.312	27	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]3)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CC[6a]3)	H(CC[6]HO)	110.1262	0.123	5	110.1262	0.015	5	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	109.7305	0.635	72	109.7305	0.403	72	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)2	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6]HH)2	H(CC[6]HO)	110.8227	1.424	4	110.8227	2.027	4	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6a]2C[6])(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6a]2C[6])(CC[6]HH)	H(CC[6]HO)	109.7475	0.036	2	109.7475	0.001	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.8790	0.441	85	109.8790	0.194	85	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6a]C[6]2)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]C[6a]C[6]2)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	109.8387	0.145	3	109.8387	0.021	3	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]C[6a]O[6]2)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6a]O[6]2)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.4810	0.034	2	109.4810	0.001	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]N[5,6]C[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]N[5,6]C[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	110.5715	0.013	2	110.5715	0.000	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]N[6,6]C[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]N[6,6]C[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	109.9906	0.694	8	109.9906	0.482	8	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]N[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	C(C[6]N[6]O[6]H)(OC)(H)2	O(CC[6]HH)(CCHH)	H(CC[6]HO)	108.7535	0.006	2	108.7535	0.000	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]S[6]2H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	C(C[6]S[6]2H)(OC)(H)2	O(CC[6]HH)(CH3)	H(CC[6]HO)	112.1940	0.856	2	112.1940	0.732	2	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[6]Se[6]C[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	C(C[6]Se[6]C[6]H)(OC)(H)2	O(CC[6a]HH)(CC[6]HH)	H(CC[6]HO)	110.2455	0.154	4	110.2455	0.024	4	109.8306	0.743	308	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6]C[5,6]O[6]H)(OP)(H)2	O(CC[6]HH)(PCOS)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OP)(H)2	O(CC[6]HH)(PCOS)	H(CC[6]HO)	109.7960	0.017	2	109.7960	0.000	2	110.2570	0.104	18	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6]C[5,6]O[6]H)(OP)(H)2	O(CC[6]HH)(PSeOS)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OP)(H)2	O(CC[6]HH)(PSeOS)	H(CC[6]HO)	110.4038	0.176	14	110.4038	0.031	14	110.2570	0.104	18	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:P-4:	C-4:	C(C[6]C[6]2Ru)(OP)(H)2	O(CC[6]HH)(PRuCC)	H(CC[6]HO)	C(C[6]C[6]2Ru)(OP)(H)2	O(CC[6]HH)(PRuCC)	H(CC[6]HO)	109.6905	0.021	2	109.6905	0.000	2	110.2570	0.104	18	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[6]C[6]N[6]H)(OS)(H)2	O(CC[6]HH)(SNOO)	H(CC[6]HO)	C(C[6]C[6]N[6]H)(OS)(H)2	O(CC[6]HH)(SNOO)	H(CC[6]HO)	109.6697	0.946	8	109.6697	0.895	8	109.8186	0.643	12	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[6]C[6]O[6]H)(OS)(H)2	O(CC[6]HH)(SCOO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OS)(H)2	O(CC[6]HH)(SCOO)	H(CC[6]HO)	109.8520	0.034	2	109.8520	0.001	2	109.8186	0.643	12	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[6]C[6]O[6]H)(OS)(H)2	O(CC[6]HH)(SNOO)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OS)(H)2	O(CC[6]HH)(SNOO)	H(CC[6]HO)	110.3805	0.012	2	110.3805	0.000	2	109.8186	0.643	12	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[4,6]C[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[4,6]C[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.7100	0.038	2	109.7100	0.001	2	109.5466	0.256	44	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.9080	0.004	2	109.9080	0.000	2	109.5466	0.256	44	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[5,6]C[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[5,6]C[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.8384	0.133	8	109.8384	0.018	8	109.5466	0.256	44	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6,6]C[6]C)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.3170	0.095	5	109.3170	0.009	5	109.5466	0.256	44	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2C)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[6]2C)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.1625	0.021	2	109.1625	0.000	2	109.5466	0.256	44	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[6]2H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.6374	0.476	9	109.6374	0.226	9	109.5466	0.256	44	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]N[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[6]N[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.1295	0.827	6	109.1295	0.683	6	109.5466	0.256	44	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OSi)(H)2	O(CC[6]HH)(SiC3)	H(CC[6]HO)	109.5682	0.571	10	109.5682	0.326	10	109.5466	0.256	44	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	O(C[5]C[5]2Fe)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	O(C[5]C[5]2Fe)(CC[6]HH)	H(CC[6]HO)	110.0935	0.039	2	110.0935	0.002	2	108.9648	0.772	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[6]HH)	H(CC[6]HO)	108.4915	0.023	2	108.4915	0.001	2	108.9648	0.772	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC[5])(H)2	O(C[5]C[6a]O[5]2)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC[5])(H)2	O(C[5]C[6a]O[5]2)(CC[6]HH)	H(CC[6]HO)	108.3095	0.033	2	108.3095	0.001	2	108.9648	0.772	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6]HH)	H(CC[6]HO)	109.8632	0.162	10	109.8632	0.026	10	109.8632	0.026	10	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	P[6]-4:C-4:	C-4:	C(C[6]C[6]2C)(OP[6])(H)2	O(P[6]N[6]2Cl)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2C)(OP[6])(H)2	O(P[6]N[6]2Cl)(CC[6]HH)	H(CC[6]HO)	108.9753	0.357	6	108.9753	0.128	6	108.9753	0.128	6	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	109.4417	1.733	6	109.4417	3.003	6	109.8604	0.631	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[6]C[6,6a]O[6]C)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6,6a]O[6]C)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	110.0735	0.026	2	110.0735	0.001	2	109.8604	0.631	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[6]C[6]2C)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2C)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	109.7580	0.593	4	109.7580	0.352	4	109.8604	0.631	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[6]C[6]2H)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2H)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	109.9334	0.218	9	109.9334	0.048	9	109.8604	0.631	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	S-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OS)(H)2	O(SC[6a]OO)(CC[6]HH)	H(CC[6]HO)	110.0443	0.317	10	110.0443	0.101	10	109.8604	0.631	31	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	109.8140	0.856	2	109.8140	0.732	2	109.8496	0.117	16	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[6]C[6]2H)(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]2H)(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	110.0210	0.091	2	110.0210	0.008	2	109.8496	0.117	16	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	C[6]-4:O-2:H-1:H-1:	Si-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	C(C[6]C[6]O[6]H)(OSi)(H)2	O(SiC[6a]2C)(CC[6]HH)	H(CC[6]HO)	109.8270	0.294	12	109.8270	0.086	12	109.8496	0.117	16	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	N-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(NCoCH)(OC)(H)2	O(CHHN)2	H(CHNO)	C(NCoCH)(OC)(H)2	O(CHHN)2	H(CHNO)	108.9277	0.050	3	108.9277	0.003	3	109.2678	0.218	5	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	N-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(NCuCC)(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	C(NCuCC)(OC)(H)2	O(CHHN)(CH3)	H(CHNO)	109.7780	0.016	2	109.7780	0.000	2	109.2678	0.218	5	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	P-4:O-2:H-1:H-1:	B[6,6]-4:C-4:	C-4:	C(PC[6a]3)(OB[6,6])(H)2	O(B[6,6]C[6,6]2O)(CHHP)	H(CHOP)	C(PC[6a]3)(OB[6,6])(H)2	O(B[6,6]C[6,6]2O)(CHHP)	H(CHOP)	110.1665	0.006	2	110.1665	0.000	2	110.1665	0.000	2	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	P-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(PC3)(OC)(H)2	O(CHHP)(CH3)	H(CHOP)	C(PC3)(OC)(H)2	O(CHHP)(CH3)	H(CHOP)	110.2847	0.084	3	110.2847	0.007	3	110.5652	0.811	11	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	P-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(PNOO)(OC)(H)2	O(CCCH)(CHHP)	H(CHOP)	C(PNOO)(OC)(H)2	O(CCCH)(CHHP)	H(CHOP)	110.8495	0.009	2	110.8495	0.000	2	110.5652	0.811	11	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	P-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(PO3)(OC)(H)2	O(CCCH)(CHHP)	H(CHOP)	C(PO3)(OC)(H)2	O(CCCH)(CHHP)	H(CHOP)	109.5995	0.032	2	109.5995	0.001	2	110.5652	0.811	11	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	P-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(PO3)(OC)(H)2	O(CCHH)(CHHP)	H(CHOP)	C(PO3)(OC)(H)2	O(CCHH)(CHHP)	H(CHOP)	111.1163	1.241	4	111.1163	1.540	4	110.5652	0.811	11	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	P-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(PC[6a]2Ru)(OP)(H)2	O(PRuOO)(CHHP)	H(CHOP)	C(PC[6a]2Ru)(OP)(H)2	O(PRuOO)(CHHP)	H(CHOP)	110.1418	0.367	10	110.1418	0.134	10	110.1289	0.123	11	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	P-4:O-2:H-1:H-1:	P-4:C-4:	C-4:	C(PRhCC)(OP)(H)2	O(PC[6a]2Rh)(CHHP)	H(CHOP)	C(PRhCC)(OP)(H)2	O(PC[6a]2Rh)(CHHP)	H(CHOP)	110.0000	0.000	1	110.0000	0.000	1	110.1289	0.123	11	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	P[5]-4:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:	C(P[5]C[5]2O)(OC[6])(H)2	O(C[6]C[6]2H)(CP[5]HH)	H(CP[5]HO)	C(P[5]C[5]2O)(OC[6])(H)2	O(C[6]C[6]2H)(CP[5]HH)	H(CP[5]HO)	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	Si-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(SiC3)(OC)(H)2	O(CC[6a]HH)(CSiHH)	H(CSiHO)	C(SiC3)(OC)(H)2	O(CC[6a]HH)(CSiHH)	H(CSiHO)	110.4233	0.492	3	110.4233	0.242	3	110.5154	0.137	5	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	4:4:	4:	Si-4:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(SiC3)(OC)(H)2	O(CSiHH)(CH3)	H(CSiHO)	C(SiC3)(OC)(H)2	O(CSiHH)(CH3)	H(CSiHO)	110.6535	0.019	2	110.6535	0.000	2	110.5154	0.137	5	109.6274	1.305	22585	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CCCH)(OP)(H)2	O(PO3U)(CCHH)	H(CCHO)	C(CCCH)(OP)(H)2	O(PO3U)(CCHH)	H(CCHO)	110.0205	0.175	11	110.0205	0.031	11	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PC[6a]NiSS)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PC[6a]NiSS)(CCHH)	H(CCHO)	110.2455	0.018	2	110.2455	0.000	2	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CCHH)(OP)(H)2	O(PPtOSS)(CCHH)	H(CCHO)	C(CCHH)(OP)(H)2	O(PPtOSS)(CCHH)	H(CCHO)	109.8598	0.237	4	109.8598	0.056	4	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CF3)(OP)(H)2	O(PIr2OO)(CCHH)	H(CCHO)	C(CF3)(OP)(H)2	O(PIr2OO)(CCHH)	H(CCHO)	109.8200	1.019	8	109.8200	1.037	8	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PC[6a]PdOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PC[6a]PdOO)(CCHH)	H(CCHO)	110.1993	0.039	4	110.1993	0.001	4	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PCeCoOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PCeCoOO)(CCHH)	H(CCHO)	109.6111	0.530	30	109.6111	0.281	30	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PCoDyOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PCoDyOO)(CCHH)	H(CCHO)	108.2207	1.149	12	108.2207	1.320	12	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PCoGdOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PCoGdOO)(CCHH)	H(CCHO)	108.6036	0.701	12	108.6036	0.491	12	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PCoHfOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PCoHfOO)(CCHH)	H(CCHO)	109.8622	0.277	10	109.8622	0.077	10	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PCoOOV)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PCoOOV)(CCHH)	H(CCHO)	109.7613	0.335	8	109.7613	0.112	8	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PCoTbOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PCoTbOO)(CCHH)	H(CCHO)	108.4017	1.074	12	108.4017	1.153	12	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PCoTiOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PCoTiOO)(CCHH)	H(CCHO)	109.9572	0.819	12	109.9572	0.671	12	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PDyCOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PDyCOO)(CCHH)	H(CCHO)	109.7304	0.525	32	109.7304	0.276	32	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PHoCOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PHoCOO)(CCHH)	H(CCHO)	110.0905	0.313	4	110.0905	0.098	4	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PIrNOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PIrNOO)(CCHH)	H(CCHO)	108.8855	1.124	4	108.8855	1.263	4	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PLaCOO)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PLaCOO)(CCHH)	H(CCHO)	109.7198	0.188	16	109.7198	0.035	16	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PNiOSS)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PNiOSS)(CCHH)	H(CCHO)	109.8940	0.198	7	109.8940	0.039	7	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PO3U)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PO3U)(CCHH)	H(CCHO)	109.7840	0.237	4	109.7840	0.056	4	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(POSSW)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(POSSW)(CCHH)	H(CCHO)	109.1159	0.659	12	109.1159	0.435	12	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PPdOSS)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PPdOSS)(CCHH)	H(CCHO)	110.0481	0.392	8	110.0481	0.154	8	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CH3)(OP)(H)2	O(PTcOSS)(CCHH)	H(CCHO)	C(CH3)(OP)(H)2	O(PTcOSS)(CCHH)	H(CCHO)	109.7170	0.185	2	109.7170	0.034	2	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	P-5:C-4:	C-4:	C(CN[6]HH)(OP)(H)2	O(PC[6a]CuSS)(CCHH)	H(CCHO)	C(CN[6]HH)(OP)(H)2	O(PC[6a]CuSS)(CCHH)	H(CCHO)	110.0305	0.066	2	110.0305	0.004	2	109.5241	0.671	216	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	Si-5:C-4:	C-4:	C(CH3)(OSi)(H)2	O(SiMgPtOO)(CCHH)	H(CCHO)	C(CH3)(OSi)(H)2	O(SiMgPtOO)(CCHH)	H(CCHO)	110.0370	0.297	2	110.0370	0.088	2	109.3085	0.738	4	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	5:4:	4:	C-4:O-2:H-1:H-1:	Si-5:C-4:	C-4:	C(CHHN)(OSi)(H)2	O(SiEuSiCO)(CCHH)	H(CCHO)	C(CHHN)(OSi)(H)2	O(SiEuSiCO)(CCHH)	H(CCHO)	108.5800	0.055	2	108.5800	0.003	2	109.3085	0.738	4	109.5202	0.669	220	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:1:1:	6:4:	4:	C-4:O-2:H-1:H-1:	Nb-6:C-4:	C-4:	C(CH3)(ONb)(H)2	O(NbCl5)(CCHH)	H(CCHO)	C(CH3)(ONb)(H)2	O(NbCl5)(CCHH)	H(CCHO)	108.9750	0.033	2	108.9750	0.001	2	108.9750	0.001	2	108.9750	0.001	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	3:4:	4:	C-4:O-2:O-2:H-1:	N-3:C-4:	C-4:	C(CCHH)(OC)(ON)(H)	O(NC[6a]C)(CCHO)	H(CCOO)	C(CCHH)(OC)(ON)(H)	O(NC[6a]C)(CCHO)	H(CCOO)	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.4550	4.421	4	106.4550	19.544	4	108.5433	1.433	63	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCCO)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCO)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.1670	0.000	1	110.1670	0.000	1	108.5433	1.433	63	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5603	0.714	3	108.5603	0.509	3	108.5433	1.433	63	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1980	0.000	2	108.1980	0.000	2	108.5433	1.433	63	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.9220	0.000	1	108.9220	0.000	1	108.5433	1.433	63	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CN)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.5550	0.000	1	109.5550	0.000	1	108.5433	1.433	63	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CO)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CO)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4285	0.416	2	108.4285	0.173	2	108.5433	1.433	63	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCl2C)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCl2C)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.7130	0.000	1	106.7130	0.000	1	108.5433	1.433	63	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(CH3)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CH3)(CC)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7108	0.244	48	108.7108	0.060	48	108.5433	1.433	63	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:N-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCl3)(NC)(OH)(H)	O(CCHN)(H)	H(CCNO)	C(CCl3)(NC)(OH)(H)	O(CCHN)(H)	H(CCNO)	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCCN)(OH)2(H)	O(CCHO)(H)	H(CCOO)	C(CCCN)(OH)2(H)	O(CCHO)(H)	H(CCOO)	110.1820	0.047	4	110.1820	0.002	4	109.6053	1.103	13	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(OC)(OH)(H)	O(CCHO)(H)	H(CCOO)	C(CCHH)(OC)(OH)(H)	O(CCHO)(H)	H(CCOO)	108.3940	0.000	1	108.3940	0.000	1	109.6053	1.103	13	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(CCl3)(OH)2(H)	O(CCHO)(H)	H(CCOO)	C(CCl3)(OH)2(H)	O(CCHO)(H)	H(CCOO)	109.7458	1.299	6	109.7458	1.687	6	109.6053	1.103	13	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C-4:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(CFFP)(OH)2(H)	O(CCHO)(H)	H(CCOO)	C(CFFP)(OH)2(H)	O(CCHO)(H)	H(CCOO)	108.6360	0.010	2	108.6360	0.000	2	109.6053	1.103	13	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C[3,6]-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CC)(OH)(H)	O(CC[3,6]CH)(H)	H(CC[3,6]CO)	C(C[3,6]C[3,6]C[6]O[3])(CC)(OH)(H)	O(CC[3,6]CH)(H)	H(CC[3,6]CO)	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C[3]-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2C)(CN)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2C)(CN)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	108.6050	0.000	1	108.6050	0.000	1	109.1560	0.200	4	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C[3]-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]N[3]C)(CC)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]N[3]C)(CC)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.2740	0.413	2	109.2740	0.171	2	109.1560	0.200	4	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C[3]-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CC)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.4710	0.000	1	109.4710	0.000	1	109.1560	0.200	4	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C[5]-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.4435	0.320	2	109.4435	0.103	2	109.4183	0.063	4	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C[5]-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.3930	0.287	2	109.3930	0.082	2	109.4183	0.063	4	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C[5]-4:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(OH)2(H)	O(CC[5]HO)(H)	H(CC[5]OO)	C(C[5]C[5]N[5]C)(OH)2(H)	O(CC[5]HO)(H)	H(CC[5]OO)	109.8135	0.022	2	109.8135	0.000	2	109.8135	0.000	2	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C[6]-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[5,6]C[6]H)(CC)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.0790	0.382	2	109.0790	0.146	2	109.0790	0.146	2	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O-2:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	O(CC[6]HO)(H)	H(CC[6]OO)	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	O(CC[6]HO)(H)	H(CC[6]OO)	105.2220	0.000	1	105.2220	0.000	1	105.2220	0.000	1	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	P-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(PC[6a]C[6]O)(CC)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(PC[6a]C[6]O)(CC)(OH)(H)	O(CCHP)(H)	H(CCOP)	108.8880	0.000	1	108.8880	0.000	1	107.6595	3.018	2	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:1:	4:	P-4:C-2:O-2:H-1:	C-4:H-1:	C-4:	C(PO3)(CC)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(PO3)(CC)(OH)(H)	O(CCHP)(H)	H(CCOP)	106.4310	0.000	1	106.4310	0.000	1	107.6595	3.018	2	108.7543	1.608	93	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:2:	4:	C[5]-4:O-2:O-2:H-1:	C-4:O-2:	C-4:	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	O(CC[5]HO)(OC)	H(CC[5]OO)	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	O(CC[5]HO)(OC)	H(CC[5]OO)	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	106.5615	3.367	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:2:	4:	C[6]-4:O-2:O-2:H-1:	C-4:O-2:	C-4:	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	O(CC[6]HO)(OC)	H(CC[6]OO)	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	O(CC[6]HO)(OC)	H(CC[6]OO)	105.2640	0.000	1	105.2640	0.000	1	105.2640	0.000	1	106.5615	3.367	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:3:	4:	C-4:O-2:O-2:H-1:	C-4:N-3:	C-4:	C(CHOO)(ON)2(H)	O(CCHO)(NOO)	H(CCOO)	C(CHOO)(ON)2(H)	O(CCHO)(NOO)	H(CCOO)	113.2435	0.603	2	113.2435	0.364	2	113.2435	0.364	2	113.2435	0.364	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CC)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHO)(CC)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	109.8520	0.000	1	109.8520	0.000	1	109.2520	0.209	4	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(CN)(OC)(H)	O(CCCH)2	H(CCCO)	C(CC[5]HH)(CN)(OC)(H)	O(CCCH)2	H(CCCO)	109.0520	0.270	3	109.0520	0.073	3	109.2520	0.209	4	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:C-2:O-2:H-1:	S-4:C-4:	C-4:	C(CCHH)(CN)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	C(CCHH)(CN)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CBrCC)(OC[6])(OC)(H)	O(CCHH)(CCHO)	H(CCOO)	C(CBrCC)(OC[6])(OC)(H)	O(CCHH)(CCHO)	H(CCOO)	109.4250	0.000	1	109.4250	0.000	1	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CCCH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	107.8275	0.022	2	107.8275	0.000	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(OC)2(H)	O(CC[3]HH)(CCHO)	H(CCOO)	C(CCCH)(OC)2(H)	O(CC[3]HH)(CCHO)	H(CCOO)	109.7212	0.163	6	109.7212	0.027	6	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(OH)(H)	O(CCHH)(CCHO)	H(CCOO)	C(CCHH)(OC)(OH)(H)	O(CCHH)(CCHO)	H(CCOO)	108.3910	0.000	1	108.3910	0.000	1	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)(ON)(H)	O(CCHH)(CCHO)	H(CCOO)	C(CCHH)(OC)(ON)(H)	O(CCHH)(CCHO)	H(CCOO)	110.5520	0.000	1	110.5520	0.000	1	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	C(CCHH)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	109.5056	1.684	8	109.5056	2.835	8	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)2(H)	O(CCHO)(CC3)	H(CCOO)	C(CCHH)(OC)2(H)	O(CCHO)(CC3)	H(CCOO)	110.0050	1.892	2	110.0050	3.580	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CCHH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	108.0216	0.268	5	108.0216	0.072	5	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CCHN)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CCHN)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	110.3217	0.342	3	110.3217	0.117	3	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]CC)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CC[5]CC)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	109.8320	0.059	2	109.8320	0.004	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]CH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CC[5]CH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	109.7050	0.202	4	109.7050	0.041	4	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CC[5]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	109.3557	1.034	3	109.3557	1.068	3	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CC[6]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	108.1195	0.022	2	108.1195	0.000	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]CC)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CC[6a]CC)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	109.8670	1.472	2	109.8670	2.167	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]CH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CC[6a]CH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	108.1990	0.178	3	108.1990	0.032	3	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]CO)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CC[6a]CO)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	109.9390	0.050	5	109.9390	0.002	5	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CC[6a]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	107.5985	0.049	2	107.5985	0.002	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)(OC)2(H)	O(CCHO)2	H(CCOO)	C(CH3)(OC)2(H)	O(CCHO)2	H(CCOO)	108.7935	0.033	2	108.7935	0.001	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	C(CHHN)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	109.4600	1.189	21	109.4600	1.413	21	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CHHN)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CHHN)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	112.9641	7.006	8	112.9641	49.078	8	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CHOO)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	C(CHOO)(OC)2(H)	O(CCHH)(CCHO)	H(CCOO)	104.9264	11.852	2	104.9264	140.469	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CHOO)(OC)2(H)	O(CC[6]HH)(CCHO)	H(CCOO)	C(CHOO)(OC)2(H)	O(CC[6]HH)(CCHO)	H(CCOO)	102.3765	5.666	2	102.3765	32.103	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CN[5]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CN[5]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	109.8117	0.757	7	109.8117	0.572	7	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(CN[6]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	C(CN[6]HH)(OC)2(H)	O(CCHO)(CH3)	H(CCOO)	110.1795	0.033	2	110.1795	0.001	2	109.4281	9.025	96	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C-4:O-2:O-2:H-1:	C[6]-4:C-4:	C-4:	C(CBrCC)(OC[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	H(CCOO)	C(CBrCC)(OC[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	H(CCOO)	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[3]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[3]C[3,5]2H)(OC)2(H)	O(CC[3]HO)(CH3)	H(CC[3]OO)	C(C[3]C[3,5]2H)(OC)2(H)	O(CC[3]HO)(CH3)	H(CC[3]OO)	108.5660	0.345	2	108.5660	0.119	2	109.1220	0.213	6	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[3]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]2Br)(OC)2(H)	O(CC[3]HO)(CH3)	H(CC[3]OO)	C(C[3]C[3]2Br)(OC)2(H)	O(CC[3]HO)(CH3)	H(CC[3]OO)	109.4000	0.079	4	109.4000	0.006	4	109.1220	0.213	6	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[4]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[4]C[4,6]C[4]H)(OC)2(H)	O(CC[4]HO)(CCHH)	H(CC[4]OO)	C(C[4]C[4,6]C[4]H)(OC)2(H)	O(CC[4]HO)(CCHH)	H(CC[4]OO)	110.3175	0.025	2	110.3175	0.001	2	109.5870	1.601	3	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[4]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[4]C[4]2H)(OC)2(H)	O(CC[4]HO)(CH3)	H(CC[4]OO)	C(C[4]C[4]2H)(OC)2(H)	O(CC[4]HO)(CH3)	H(CC[4]OO)	108.1260	0.000	1	108.1260	0.000	1	109.5870	1.601	3	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[5,5]-4:C-2:O-2:H-1:	C-4:S-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	O(CC[5,5]CH)(SC[6a]OO)	H(CC[5,5]CO)	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	O(CC[5,5]CH)(SC[6a]OO)	H(CC[5,5]CO)	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[5]-4:C-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	105.7870	0.000	1	105.7870	0.000	1	107.7660	7.833	2	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[5]-4:C-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	109.7450	0.000	1	109.7450	0.000	1	107.7660	7.833	2	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	O(CC[5]HO)(CH3)	H(CC[5]OO)	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	O(CC[5]HO)(CH3)	H(CC[5]OO)	107.8390	0.000	1	107.8390	0.000	1	109.1651	4.311	15	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(OC)2(H)	O(CC[5]HO)(CCHH)	H(CC[5]OO)	C(C[5]C[5]2Fe)(OC)2(H)	O(CC[5]HO)(CCHH)	H(CC[5]OO)	109.8955	0.046	2	109.8955	0.002	2	109.1651	4.311	15	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2H)(OC)2(H)	O(CC[5]HO)(CCHH)	H(CC[5]OO)	C(C[5]C[5]2H)(OC)2(H)	O(CC[5]HO)(CCHH)	H(CC[5]OO)	107.7283	3.862	4	107.7283	14.913	4	109.1651	4.311	15	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2H)(OC)2(H)	O(CC[5]HO)(CH3)	H(CC[5]OO)	C(C[5]C[5]2H)(OC)2(H)	O(CC[5]HO)(CH3)	H(CC[5]OO)	109.7993	0.310	6	109.7993	0.096	6	109.1651	4.311	15	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(OC)2(H)	O(CC[5]HO)(CH3)	H(CC[5]OO)	C(C[5]C[5a]C[5]N[5])(OC)2(H)	O(CC[5]HO)(CH3)	H(CC[5]OO)	110.0690	0.052	2	110.0690	0.003	2	109.1651	4.311	15	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[6]-4:C-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	107.8290	0.000	1	107.8290	0.000	1	108.1450	0.200	2	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[6]-4:C-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6]H)(CC)(OC)(H)	O(CC[6]CH)(CHHO)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CC)(OC)(H)	O(CC[6]CH)(CHHO)	H(CC[6]CO)	108.4610	0.000	1	108.4610	0.000	1	108.1450	0.200	2	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O-2:C-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	108.4100	0.023	2	108.4100	0.001	2	108.0498	4.451	12	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2Cr)(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	C(C[6]C[6]2Cr)(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	106.2955	2.842	4	106.2955	8.078	4	108.0498	4.451	12	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2H)(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	C(C[6]C[6]2H)(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	109.0400	1.243	4	109.0400	1.546	4	108.0498	4.451	12	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	C(C[6]C[6]O[6]C)(OC)2(H)	O(CC[6]HO)(CH3)	H(CC[6]OO)	109.2175	0.934	2	109.2175	0.873	2	108.0498	4.451	12	109.2504	7.088	144	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:3:1:	3:4:	4:	C-4:O-2:C-3:H-1:	N[6]-3:C-4:	C-4:	C(CC[5a]HH)(ON[6])(CHO)(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	C(CC[5a]HH)(ON[6])(CHO)(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:3:1:	4:4:	4:	C-4:O-2:C-3:H-1:	C[6]-4:C-4:	C-4:	C(CC[6]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	C(CC[6]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	109.3420	0.000	1	109.3420	0.000	1	109.4007	0.078	3	109.4007	0.078	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:3:1:	4:4:	4:	C-4:O-2:C-3:H-1:	C[6]-4:C-4:	C-4:	C(CC[6a]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]C)(CCCH)	H(CCCO)	C(CC[6a]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]C)(CCCH)	H(CCCO)	109.4300	0.389	2	109.4300	0.151	2	109.4007	0.078	3	109.4007	0.078	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:4:1:	3:4:	4:	C-4:O-2:C-4:H-1:	N[6]-3:C-4:	C-4:	C(CC[6a]HO)(ON[6])(CH3)(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	C(CC[6a]HO)(ON[6])(CH3)(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	108.0960	3.814	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:4:1:	3:4:	4:	C[5]-4:O-2:C-4:H-1:	N[6]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	O(N[6]C[6]2)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	O(N[6]C[6]2)(CC[5]CH)	H(CC[5]CO)	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	108.0960	3.814	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:4:1:	4:4:	4:	C-4:O-2:C-4:H-1:	C[5]-4:C-4:	C-4:	C(CBrCH)(OC[5])(CCHH)(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	C(CBrCH)(OC[5])(CCHH)(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	107.9563	1.740	6	107.9563	3.028	6	108.1322	2.289	8	108.8661	3.495	16	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:4:1:	4:4:	4:	C-4:O-2:C-4:H-1:	C[5]-4:C-4:	C-4:	C(CCo2C)(OC[5])(CCHH)(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	C(CCo2C)(OC[5])(CCHH)(H)	O(C[5]C[5]2H)(CCCH)	H(CCCO)	108.6600	0.371	2	108.6600	0.137	2	108.1322	2.289	8	108.8661	3.495	16	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:4:1:	4:4:	4:	C-4:O-2:C-4:H-1:	C[6]-4:C-4:	C-4:	C(CBrHH)(OC[6])(CH3)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	C(CBrHH)(OC[6])(CH3)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(CCCO)	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	108.8661	3.495	16	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:4:1:	4:4:	4:	C[5]-4:O-2:C-4:H-1:	C[6]-4:C-4:	C-4:	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	H(CC[5]CO)	108.1410	0.000	1	108.1410	0.000	1	109.5944	4.630	7	108.8661	3.495	16	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:4:1:	4:4:	4:	C[5]-4:O-2:C-4:H-1:	C[6]-4:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	H(CC[5]CO)	108.2340	0.140	2	108.2340	0.020	2	109.5944	4.630	7	108.8661	3.495	16	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:4:1:	4:4:	4:	C[5]-4:O-2:C-4:H-1:	C[6]-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	H(CC[5]CO)	107.4220	0.000	1	107.4220	0.000	1	109.5944	4.630	7	108.8661	3.495	16	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:2:4:1:	4:4:	4:	C[5]-4:O-2:C-4:H-1:	C[6]-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	O(C[6]C[6]2H)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	O(C[6]C[6]2H)(CC[5]CH)	H(CC[5]CO)	111.7100	1.379	3	111.7100	1.901	3	109.5944	4.630	7	108.8661	3.495	16	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	N-3:C-4:	C-4:	C(CC[6a]HH)(CCO)(ON)(H)	O(NC[6a]H)(CCCH)	H(CCCO)	C(CC[6a]HH)(CCO)(ON)(H)	O(NC[6a]H)(CCCH)	H(CCCO)	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	110.4483	1.464	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	N[6]-3:C-4:	C-4:	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	111.4600	0.000	1	111.4600	0.000	1	111.1185	0.233	2	110.4483	1.464	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	3:4:	4:	C-4:C-3:O-2:H-1:	N[6]-3:C-4:	C-4:	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	O(N[6]C[6]2)(CCCH)	H(CCCO)	110.7770	0.000	1	110.7770	0.000	1	111.1185	0.233	2	110.4483	1.464	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC3)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC3)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1685	0.298	2	108.1685	0.089	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC3)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC3)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.2400	0.088	2	107.2400	0.008	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1264	1.660	5	108.1264	2.756	5	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.1720	3.792	13	107.1720	14.382	13	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CCI)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CCI)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7700	0.000	1	107.7700	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1355	0.624	2	108.1355	0.390	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8806	1.265	8	108.8806	1.600	8	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.4627	0.282	3	107.4627	0.080	3	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCCO)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCO)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.3560	0.000	1	107.3560	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCCO)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCO)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4570	0.000	1	108.4570	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCCO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.2440	0.017	2	107.2440	0.000	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCFF)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCFF)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5616	0.796	5	108.5616	0.633	5	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1009	0.608	15	108.1009	0.370	15	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6960	1.039	39	108.6960	1.079	39	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3932	1.151	8	108.3932	1.324	8	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	111.4090	0.000	1	111.4090	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.3528	0.997	4	109.3528	0.995	4	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4871	1.270	38	108.4871	1.612	38	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.4120	0.000	1	109.4120	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8030	1.250	6	108.8030	1.563	6	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1980	0.975	3	108.1980	0.951	3	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7953	1.049	18	108.7953	1.100	18	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.2143	3.578	8	110.2143	12.804	8	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	105.9830	0.000	1	105.9830	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.2637	1.268	27	109.2637	1.607	27	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7582	1.283	480	108.7582	1.645	480	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCOO)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCOO)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2060	0.000	1	108.2060	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.6510	0.000	1	109.6510	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[3]HH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[3]HH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0900	0.931	2	108.0900	0.866	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[3]HH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[3]HH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.5410	0.000	1	109.5410	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.8340	0.354	12	107.8340	0.125	12	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HH)(CC[5]C)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HH)(CC[5]C)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0970	0.000	1	108.0970	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.5650	0.000	1	109.5650	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6264	1.289	5	108.6264	1.661	5	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.5980	4.142	2	110.5980	17.158	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5a]HH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5a]HH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6940	0.000	1	108.6940	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]CH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]CH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7720	0.000	1	108.7720	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.1284	0.369	7	109.1284	0.136	7	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5775	1.561	2	108.5775	2.435	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HH)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HH)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2220	0.000	1	108.2220	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]2H)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]2H)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3400	0.000	1	108.3400	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.8240	0.000	1	107.8240	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6410	0.000	1	108.6410	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0730	0.007	2	108.0730	0.000	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CNS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CNS)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8040	0.000	1	108.8040	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.9545	0.084	2	108.9545	0.007	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7870	0.000	1	108.7870	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5810	0.478	3	108.5810	0.229	3	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CN[5]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3373	0.157	3	108.3373	0.024	3	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5806	0.660	10	108.5806	0.436	10	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HN)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HN)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8130	1.689	3	108.8130	2.851	3	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1992	1.947	10	108.1992	3.792	10	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HO)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.0180	2.138	2	110.0180	4.572	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1520	0.000	1	108.1520	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HS)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HS)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.9240	0.000	1	107.9240	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.5580	0.000	1	110.5580	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]N[5a]H)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7060	0.000	1	107.7060	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]N[6a]H)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]N[6a]H)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7140	0.000	1	107.7140	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCl3)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCl3)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.1160	0.818	3	109.1160	0.670	3	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CClHH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CClHH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	105.5110	0.000	1	105.5110	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CF3)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CF3)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.1826	0.749	10	109.1826	0.561	10	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CFFH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CFFH)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.2360	0.000	1	109.2360	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CFFP)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CFFP)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.3870	0.000	1	107.3870	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CH3)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CH3)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5710	0.721	5	108.5710	0.520	5	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CH3)(CCI)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CH3)(CCI)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.0090	0.000	1	109.0090	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CH3)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CH3)(CCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.6475	1.659	4	107.6475	2.751	4	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CH3)(CHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CH3)(CHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	102.9985	2.969	2	102.9985	8.816	2	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6991	1.102	9	108.6991	1.215	9	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0744	2.370	19	108.0744	5.618	19	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CHHN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHN)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.5740	0.000	1	107.5740	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CHHO)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHO)(CCC)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.0860	0.000	1	107.0860	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CHHO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHO)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.2560	2.298	3	109.2560	5.281	3	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CHHS)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHS)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.7620	0.000	1	106.7620	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CHHS)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHS)(COO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3748	0.584	6	108.3748	0.341	6	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]CH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]CH)(CCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.1705	0.654	4	109.1705	0.428	4	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(CN[6]HH)(CHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[6]HH)(CHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.9120	0.000	1	107.9120	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(COsCH)(CCP)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(COsCH)(CCP)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.2630	0.000	1	107.2630	0.000	1	108.6533	2.041	851	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]CH)(H)	H(CC[6a]CO)	107.9577	0.267	3	107.9577	0.071	3	107.9577	0.071	3	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:N-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(NCO)(OH)(H)	O(CCHN)(H)	H(CCNO)	C(CCHH)(NCO)(OH)(H)	O(CCHN)(H)	H(CCNO)	108.4130	0.000	1	108.4130	0.000	1	109.2292	3.201	5	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:N-3:O-2:H-1:	C-4:H-1:	C-4:	C(CCl3)(NCH)(OH)(H)	O(CCHN)(H)	H(CCNO)	C(CCl3)(NCH)(OH)(H)	O(CCHN)(H)	H(CCNO)	112.1410	0.000	1	112.1410	0.000	1	109.2292	3.201	5	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:N-3:O-2:H-1:	C-4:H-1:	C-4:	C(CH3)(NCH)(OH)(H)	O(CCHN)(H)	H(CCNO)	C(CH3)(NCH)(OH)(H)	O(CCHN)(H)	H(CCNO)	108.9230	0.000	1	108.9230	0.000	1	109.2292	3.201	5	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:N-3:O-2:H-1:	C-4:H-1:	C-4:	C(CHHN)(NCH)(OH)(H)	O(CCHN)(H)	H(CCNO)	C(CHHN)(NCH)(OH)(H)	O(CCHN)(H)	H(CCNO)	107.3430	0.000	1	107.3430	0.000	1	109.2292	3.201	5	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C-4:N-3:O-2:H-1:	C-4:H-1:	C-4:	C(CHNO)(NCH)(OH)(H)	O(CCHN)(H)	H(CCNO)	C(CHNO)(NCH)(OH)(H)	O(CCHN)(H)	H(CCNO)	109.3260	0.000	1	109.3260	0.000	1	109.2292	3.201	5	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3,5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	O(CC[3,5]C[6a]H)(H)	H(CC[3,5]C[6a]O)	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	O(CC[3,5]C[6a]H)(H)	H(CC[3,5]C[6a]O)	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2H)(CCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	106.4480	0.000	1	106.4480	0.000	1	109.1436	3.713	5	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCO)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2H)(CCO)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	108.8950	0.000	1	108.8950	0.000	1	109.1436	3.713	5	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(COO)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2H)(COO)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	111.5650	0.000	1	111.5650	0.000	1	109.1436	3.713	5	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.4050	1.235	2	109.4050	1.524	2	109.1436	3.713	5	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	108.6230	0.000	1	108.6230	0.000	1	108.5579	0.258	10	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	108.5478	0.579	4	108.5478	0.335	4	108.5579	0.258	10	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[3]H)(H)	H(CC[6a]C[3]O)	108.5530	0.572	5	108.5530	0.327	5	108.5579	0.258	10	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[5a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	O(CC[3x6]C[5a]H)(H)	H(CC[3x6]C[5a]O)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	O(CC[3x6]C[5a]H)(H)	H(CC[3x6]C[5a]O)	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	O(CC[3x6]C[6a]H)(H)	H(CC[3x6]C[6a]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	O(CC[3x6]C[6a]H)(H)	H(CC[3x6]C[6a]O)	107.6980	0.424	2	107.6980	0.180	2	107.1517	0.985	3	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	O(CC[3x6]C[6a]H)(H)	H(CC[3x6]C[6a]O)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	O(CC[3x6]C[6a]H)(H)	H(CC[3x6]C[6a]O)	106.0590	0.000	1	106.0590	0.000	1	107.1517	0.985	3	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[4]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]N[4]H)(CCC)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]N[4]H)(CCC)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[4]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[4]H)(H)	H(CC[6a]C[4]O)	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[4]H)(H)	H(CC[6a]C[4]O)	109.3490	1.529	6	109.3490	2.337	6	109.1042	1.605	9	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[4]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[4]H)(H)	H(CC[6a]C[4]O)	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[4]H)(H)	H(CC[6a]C[4]O)	108.6147	0.200	3	108.6147	0.040	3	109.1042	1.605	9	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5,5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	O(CC[5,5]CH)(H)	H(CC[5,5]CO)	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	O(CC[5,5]CH)(H)	H(CC[5,5]CO)	106.4340	0.000	1	106.4340	0.000	1	106.4340	0.000	1	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	109.7020	0.000	1	109.7020	0.000	1	109.0290	0.529	4	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	109.2080	0.083	2	109.2080	0.007	2	109.0290	0.529	4	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	107.9980	0.000	1	107.9980	0.000	1	109.0290	0.529	4	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[5a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	O(CC[5,6]C[5a]H)(H)	H(CC[5,6]C[5a]O)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	O(CC[5,6]C[5a]H)(H)	H(CC[5,6]C[5a]O)	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.8200	1.588	2	107.8200	2.522	2	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.4180	0.000	1	107.4180	0.000	1	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.7480	0.510	3	107.7480	0.260	3	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.0390	0.810	2	107.0390	0.657	2	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.8150	0.000	1	107.8150	0.000	1	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.1783	0.340	4	107.1783	0.115	4	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.1650	0.000	1	108.1650	0.000	1	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2O)(CCC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2O)(CCC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	105.2135	0.084	2	105.2135	0.007	2	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2O)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2O)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.6065	0.288	2	108.6065	0.083	2	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.7680	0.000	1	108.7680	0.000	1	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.0970	0.000	1	108.0970	0.000	1	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.7600	0.000	1	107.7600	0.000	1	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.0843	1.471	3	109.0843	2.164	3	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	106.3345	0.148	2	106.3345	0.022	2	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.7449	1.623	7	108.7449	2.633	7	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.5387	0.470	6	108.5387	0.221	6	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.8640	0.000	1	107.8640	0.000	1	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.2772	0.158	5	108.2772	0.025	5	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.1360	1.559	6	108.1360	2.431	6	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.1300	0.000	1	109.1300	0.000	1	108.0173	1.495	52	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[5]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	109.1340	0.000	1	109.1340	0.000	1	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	107.8990	0.000	1	107.8990	0.000	1	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.1840	0.503	2	108.1840	0.253	2	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.4480	0.153	4	108.4480	0.023	4	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.5362	0.445	6	108.5362	0.198	6	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	109.6040	0.226	2	109.6040	0.051	2	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.9557	0.098	3	108.9557	0.010	3	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	107.6301	1.626	7	107.6301	2.645	7	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.5299	0.829	18	108.5299	0.687	18	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.7890	0.000	1	108.7890	0.000	1	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.6873	1.292	18	108.6873	1.670	18	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	108.4890	0.000	1	108.4890	0.000	1	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[5]H)(H)	H(CC[6a]C[5]O)	107.4400	0.000	1	107.4400	0.000	1	108.5004	1.070	65	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	O(CC[6,6]C[6]H)(H)	H(CC[6,6]C[6]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	O(CC[6,6]C[6]H)(H)	H(CC[6,6]C[6]O)	109.4384	1.264	14	109.4384	1.597	14	109.4384	1.597	14	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	O(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	O(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]O)	108.0630	0.000	1	108.0630	0.000	1	109.1686	0.596	54	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	O(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	O(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]O)	110.2170	0.000	1	110.2170	0.000	1	109.1686	0.596	54	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	O(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	O(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]O)	109.2097	0.754	49	109.2097	0.568	49	109.1686	0.596	54	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]O)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]O)	108.5160	0.575	3	108.5160	0.331	3	109.1686	0.596	54	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	110.0880	0.000	1	110.0880	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.7110	0.000	1	108.7110	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.2840	0.000	1	108.2840	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.5560	0.000	1	108.5560	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.1193	0.648	3	107.1193	0.420	3	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.4180	0.000	1	108.4180	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.5750	0.000	1	108.5750	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCC)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCC)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.7200	0.000	1	109.7200	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.1400	0.000	1	108.1400	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.9090	0.393	4	107.9090	0.155	4	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	106.8380	0.000	1	106.8380	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.5710	0.000	1	107.5710	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.6710	0.000	1	109.6710	0.000	1	108.1981	0.942	18	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[5a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	O(CC[5a]C[6]H)(H)	H(CC[5a]C[6]O)	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	O(CC[5a]C[6]H)(H)	H(CC[5a]C[6]O)	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	107.8992	1.031	5	107.8992	1.062	5	108.5660	1.286	23	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	107.9270	0.000	1	107.9270	0.000	1	108.5660	1.286	23	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	107.3025	0.565	2	107.3025	0.319	2	108.5660	1.286	23	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2Cr)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6]C[6]2Cr)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	108.8350	0.000	1	108.8350	0.000	1	108.5660	1.286	23	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	110.4105	1.133	2	110.4105	1.285	2	108.5660	1.286	23	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	108.6479	0.792	7	108.6479	0.627	7	108.5660	1.286	23	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	108.4882	0.486	4	108.4882	0.237	4	108.5660	1.286	23	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	O(CC[6a]C[6]H)(H)	H(CC[6a]C[6]O)	110.8460	0.000	1	110.8460	0.000	1	108.5660	1.286	23	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	P-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(PO3)(CCH)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(PO3)(CCH)(OH)(H)	O(CCHP)(H)	H(CCOP)	109.1180	0.595	3	109.1180	0.354	3	109.1180	0.354	3	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:1:	4:	P[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(P[6]O[6]2O)(COO)(OH)(H)	O(CP[6]CH)(H)	H(CP[6]CO)	C(P[6]O[6]2O)(COO)(OH)(H)	O(CP[6]CH)(H)	H(CP[6]CO)	108.5593	0.516	3	108.5593	0.266	3	108.5593	0.266	3	108.6415	1.857	1130	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:2:	4:	C-4:C-3:O-2:H-1:	C-4:O-2:	C-4:	C(CC[5]HH)(CCC)(OO)(H)	O(CCCH)(OC)	H(CCCO)	C(CC[5]HH)(CCC)(OO)(H)	O(CCCH)(OC)	H(CCCO)	109.1980	0.000	1	109.1980	0.000	1	109.0645	0.036	2	109.1840	0.061	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:2:	4:	C-4:C-3:O-2:H-1:	C-4:O-2:	C-4:	C(CC[5]HH)(CCC)(OO)(H)	O(CCCH)(OH)	H(CCCO)	C(CC[5]HH)(CCC)(OO)(H)	O(CCCH)(OH)	H(CCCO)	108.9310	0.000	1	108.9310	0.000	1	109.0645	0.036	2	109.1840	0.061	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:2:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	O(CC[6a]C[5]H)(OC)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	O(CC[6a]C[5]H)(OC)	H(CC[6a]C[5]O)	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.1840	0.061	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:3:	4:	C-4:C-3:O-2:H-1:	C-4:N-3:	C-4:	C(CCCH)(CNO)(ON)(H)	O(CCCH)(NCH)	H(CCCO)	C(CCCH)(CNO)(ON)(H)	O(CCCH)(NCH)	H(CCCO)	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	104.5280	36.997	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C-4:S-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	O(CC[6,6]C[6a]H)(SC[6a]O)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	O(CC[6,6]C[6a]H)(SC[6a]O)	H(CC[6,6]C[6a]O)	100.2270	0.000	1	100.2270	0.000	1	100.2270	0.000	1	104.5280	36.997	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC3)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC3)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	110.8390	0.000	1	110.8390	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC3)(CCH)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	C(CC3)(CCH)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	108.3150	0.000	1	108.3150	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC3)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CC3)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	107.3590	0.000	1	107.3590	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	107.7180	0.715	11	107.7180	0.512	11	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(COO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCCH)(COO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	109.6255	0.824	2	109.6255	0.679	2	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCCO)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCCO)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.5090	0.000	1	108.5090	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	109.1830	0.000	1	109.1830	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	109.2920	0.000	1	109.2920	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	109.3415	0.575	2	109.3415	0.330	2	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CCN)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHH)(CCN)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	109.1100	0.000	1	109.1100	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CNO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CCHH)(CNO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	111.0300	0.000	1	111.0300	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CNO)(OC)(H)	O(CCCH)2	H(CCCO)	C(CCHH)(CNO)(OC)(H)	O(CCCH)2	H(CCCO)	106.6920	0.000	1	106.6920	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHN)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHN)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.5560	0.000	1	108.5560	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.4229	1.878	7	108.4229	3.526	7	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	108.5763	0.108	4	108.5763	0.012	4	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.8010	0.000	1	108.8010	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(COO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHO)(COO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	112.0470	0.000	1	112.0470	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(COO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHO)(COO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	109.3770	0.000	1	109.3770	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(CCC)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	C(CC[5]HH)(CCC)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	105.5690	0.000	1	105.5690	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(CCH)(OC)(H)	O(CCCH)2	H(CCCO)	C(CC[5]HH)(CCH)(OC)(H)	O(CCCH)2	H(CCCO)	109.1230	0.000	1	109.1230	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]2H)(CCCH)	H(CCCO)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]2H)(CCCH)	H(CCCO)	109.5890	0.000	1	109.5890	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6]HH)(CCO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC[6]HH)(CCO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.8053	0.729	4	108.8053	0.532	4	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]2C)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC[6a]2C)(CCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.5250	0.000	1	108.5250	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(CNO)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	C(CC[6a]HH)(CNO)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	108.3860	0.000	1	108.3860	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HN)(CNO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CC[6a]HN)(CNO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	109.6710	0.000	1	109.6710	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HO)(CCO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CC[6a]HO)(CCO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	111.5585	0.207	2	111.5585	0.043	2	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HO)(CC[6]O)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CC[6a]HO)(CC[6]O)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	108.7980	0.000	1	108.7980	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]2H)(CCCH)	H(CCCO)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]2H)(CCCH)	H(CCCO)	109.3593	0.140	3	109.3593	0.020	3	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HO)(CN[5]O)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CC[6a]HO)(CN[5]O)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	110.5060	0.000	1	110.5060	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HO)(COS)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC[6a]HO)(COS)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	109.8420	0.000	1	109.8420	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)(CCH)(OC)(H)	O(CCCH)2	H(CCCO)	C(CH3)(CCH)(OC)(H)	O(CCCH)2	H(CCCO)	107.1827	1.551	3	107.1827	2.406	3	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)(CCH)(OC)(H)	O(CC[5]CH)(CCCH)	H(CCCO)	C(CH3)(CCH)(OC)(H)	O(CC[5]CH)(CCCH)	H(CCCO)	108.6840	0.000	1	108.6840	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CH3)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.1580	0.000	1	108.1580	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)(COO)(OC)(H)	O(CC[6]HH)(CCCH)	H(CCCO)	C(CH3)(COO)(OC)(H)	O(CC[6]HH)(CCCH)	H(CCCO)	108.6240	0.000	1	108.6240	0.000	1	108.7087	1.892	63	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:S-4:	C-4:	C(CCCH)(CNO)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	C(CCCH)(CNO)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	110.2920	0.000	1	110.2920	0.000	1	110.1647	1.163	3	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:S-4:	C-4:	C(CH3)(CNO)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	C(CH3)(CNO)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	110.1010	1.517	2	110.1010	2.303	2	110.1647	1.163	3	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CCCH)(CCC)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCCH)(CCC)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	107.3790	0.000	1	107.3790	0.000	1	108.6592	0.481	13	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CCCH)(CCH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCCH)(CCH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.8720	0.143	2	108.8720	0.020	2	108.6592	0.481	13	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CCCH)(CCN)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCCH)(CCN)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.5120	0.000	1	108.5120	0.000	1	108.6592	0.481	13	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHH)(COO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHH)(COO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	109.9020	0.000	1	109.9020	0.000	1	108.6592	0.481	13	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHO)(CCC)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHO)(CCC)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.2640	0.000	1	108.2640	0.000	1	108.6592	0.481	13	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHO)(CCO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHO)(CCO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.3065	0.287	4	108.3065	0.082	4	108.6592	0.481	13	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CC[6a]CH)(CCH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CC[6a]CH)(CCH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	109.8390	0.000	1	109.8390	0.000	1	108.6592	0.481	13	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CH3)(CNO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CH3)(CNO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.6470	0.000	1	108.6470	0.000	1	108.6592	0.481	13	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CN[5]CH)(COO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CN[5]CH)(COO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	109.0560	0.000	1	109.0560	0.000	1	108.6592	0.481	13	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	S-4:C-4:	C-4:	C(CCHH)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	C(CCHH)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	109.4810	0.000	1	109.4810	0.000	1	109.8242	0.262	5	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	S-4:C-4:	C-4:	C(CCHO)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	C(CCHO)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	109.8405	0.592	2	109.8405	0.350	2	109.8242	0.262	5	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	S-4:C-4:	C-4:	C(CC[5a]HH)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	C(CC[5a]HH)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	109.4650	0.000	1	109.4650	0.000	1	109.8242	0.262	5	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	S-4:C-4:	C-4:	C(CH3)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	C(CH3)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	110.4940	0.000	1	110.4940	0.000	1	109.8242	0.262	5	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C-4:	C(CCHH)(CCH)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	C(CCHH)(CCH)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	108.9560	0.000	1	108.9560	0.000	1	109.6273	5.029	6	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C-4:	C(CCHH)(CCO)(OSi)(H)	O(SiCCO)(CCCH)	H(CCCO)	C(CCHH)(CCO)(OSi)(H)	O(SiCCO)(CCCH)	H(CCCO)	110.5320	0.000	1	110.5320	0.000	1	109.6273	5.029	6	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C-4:	C(CCHH)(COO)(OSi)(H)	O(SiCCO)(CCCH)	H(CCCO)	C(CCHH)(COO)(OSi)(H)	O(SiCCO)(CCCH)	H(CCCO)	107.4670	1.775	2	107.4670	3.150	2	109.6273	5.029	6	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C-4:	C(CC[6a]HN)(COO)(OSi)(H)	O(SiC[6a]3)(CCCH)	H(CCCO)	C(CC[6a]HN)(COO)(OSi)(H)	O(SiC[6a]3)(CCCH)	H(CCCO)	111.6710	1.744	2	111.6710	3.041	2	109.6273	5.029	6	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]CH)(CH3)	H(CC[6a]CO)	107.5690	0.964	2	107.5690	0.930	2	107.5690	0.930	2	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:C[6a]-3:O-2:H-1:	C-4:Si-4:	C-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	O(CC[6a]CH)(SiC3)	H(CC[6a]CO)	109.5175	0.125	2	109.5175	0.016	2	109.5175	0.016	2	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(NCH)(OC)(H)	O(CCHN)(CH3)	H(CCNO)	C(CCHH)(NCH)(OC)(H)	O(CCHN)(CH3)	H(CCNO)	108.2835	0.237	2	108.2835	0.056	2	108.8397	0.459	4	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(CCHI)(NCS)(OC)(H)	O(CCHH)(CCHN)	H(CCNO)	C(CCHI)(NCS)(OC)(H)	O(CCHH)(CCHN)	H(CCNO)	109.5990	0.000	1	109.5990	0.000	1	108.8397	0.459	4	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:N-3:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HN)(NC[6a]S)(OC)(H)	O(CCHH)(CCHN)	H(CCNO)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	O(CCHH)(CCHN)	H(CCNO)	109.1930	0.000	1	109.1930	0.000	1	108.8397	0.459	4	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C-4:O-3:O-2:H-1:	C-4:C-4:	C-4:	C(CHHN)(ONiC)(OC)(H)	O(CCHO)(CH3)	H(CCOO)	C(CHHN)(ONiC)(OC)(H)	O(CCHO)(CH3)	H(CCOO)	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[3,6]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(COO)(OC)(H)	O(CC[3,6]CH)(CH3)	H(CC[3,6]CO)	C(C[3,6]C[3,6]C[6]O[3])(COO)(OC)(H)	O(CC[3,6]CH)(CH3)	H(CC[3,6]CO)	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[3]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]2H)(CBrP)(OC)(H)	O(CC[3]CH)(CH3)	H(CC[3]CO)	C(C[3]C[3]2H)(CBrP)(OC)(H)	O(CC[3]CH)(CH3)	H(CC[3]CO)	75.0409	0.000	1	75.0409	0.000	1	75.0409	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	O(CC[6a]C[3]H)(SiC3)	H(CC[6a]C[3]O)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	O(CC[6a]C[3]H)(SiC3)	H(CC[6a]C[3]O)	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[4]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[4]C[4]2O)(COO)(OC)(H)	O(CC[4]CH)(CCCH)	H(CC[4]CO)	C(C[4]C[4]2O)(COO)(OC)(H)	O(CC[4]CH)(CCCH)	H(CC[4]CO)	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	O(CC[5,6]C[6a]H)(CC[5,6]HH)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	O(CC[5,6]C[6a]H)(CC[5,6]HH)	H(CC[5,6]C[6a]O)	108.5980	0.000	1	108.5980	0.000	1	108.1308	0.078	5	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	O(CC[5,6]C[6a]H)(CHHO)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	O(CC[5,6]C[6a]H)(CHHO)	H(CC[5,6]C[6a]O)	108.0140	0.116	4	108.0140	0.013	4	108.1308	0.078	5	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	O(CC[5,6]C[6a]H)(SiC3)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	O(CC[5,6]C[6a]H)(SiC3)	H(CC[5,6]C[6a]O)	108.0620	0.024	2	108.0620	0.001	2	108.0620	0.001	2	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	106.5310	0.000	1	106.5310	0.000	1	108.0944	4.664	7	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	109.2780	0.000	1	109.2780	0.000	1	108.0944	4.664	7	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CCHH)	H(CC[5]CO)	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CCHH)	H(CC[5]CO)	103.7960	0.000	1	103.7960	0.000	1	108.0944	4.664	7	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	109.0490	0.024	2	109.0490	0.001	2	108.0944	4.664	7	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	109.4380	0.000	1	109.4380	0.000	1	108.0944	4.664	7	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	109.5200	0.000	1	109.5200	0.000	1	108.0944	4.664	7	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	C-4:S-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	O(CC[5]CH)(SCOO)	H(CC[5]CO)	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	O(CC[5]CH)(SCOO)	H(CC[5]CO)	108.9800	0.000	1	108.9800	0.000	1	108.0850	1.602	2	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	C-4:S-4:	C-4:	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	O(CC[5]CH)(SCOO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	O(CC[5]CH)(SCOO)	H(CC[5]CO)	107.1900	0.000	1	107.1900	0.000	1	108.0850	1.602	2	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]2H)(COO)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	C(C[5]C[5]2H)(COO)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	109.2140	0.000	1	109.2140	0.000	1	109.2140	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C-3:O-2:H-1:	N[6]-4:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	O(N[6]C[6]2H)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	O(N[6]C[6]2H)(CC[5]CH)	H(CC[5]CO)	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	107.9230	0.000	1	107.9230	0.000	1	108.4103	5.528	11	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	107.6650	0.000	1	107.6650	0.000	1	108.4103	5.528	11	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCHH)	H(CC[6a]C[5]O)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCHH)	H(CC[6a]C[5]O)	102.2360	0.000	1	102.2360	0.000	1	108.4103	5.528	11	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	108.7720	0.000	1	108.7720	0.000	1	108.4103	5.528	11	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCHH)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CCHH)	H(CC[6a]C[5]O)	108.6670	0.000	1	108.6670	0.000	1	108.4103	5.528	11	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	108.9633	0.355	3	108.9633	0.126	3	108.4103	5.528	11	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	109.1015	0.078	2	109.1015	0.006	2	108.4103	5.528	11	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]H)(CH3)	H(CC[6a]C[5]O)	112.1570	0.000	1	112.1570	0.000	1	108.4103	5.528	11	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C-4:P-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	O(CC[6a]C[5]H)(PO3)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	O(CC[6a]C[5]H)(PO3)	H(CC[6a]C[5]O)	108.5953	0.312	4	108.5953	0.097	4	108.5953	0.097	4	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6]-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	H(CC[6a]C[5]O)	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	O(CC[6,6]C[6]H)(SiC3)	H(CC[6,6]C[6]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	O(CC[6,6]C[6]H)(SiC3)	H(CC[6,6]C[6]O)	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	O(CC[6,6]C[6a]H)(CH3)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	O(CC[6,6]C[6a]H)(CH3)	H(CC[6,6]C[6a]O)	108.7795	0.534	2	108.7795	0.285	2	108.7795	0.285	2	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C-4:S-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	O(CC[6,6]C[6a]H)(SC[6a]OO)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	O(CC[6,6]C[6a]H)(SC[6a]OO)	H(CC[6,6]C[6a]O)	109.9155	0.039	2	109.9155	0.002	2	109.9155	0.002	2	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(CCH)(OC)(H)	O(CC[6]CH)(CHHO)	H(CC[6]CO)	C(C[6]C[5,6]C[6]H)(CCH)(OC)(H)	O(CC[6]CH)(CHHO)	H(CC[6]CO)	108.9480	0.000	1	108.9480	0.000	1	108.7835	0.217	4	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	O(CC[6]CH)(CCHH)	H(CC[6]CO)	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	O(CC[6]CH)(CCHH)	H(CC[6]CO)	108.0900	0.000	1	108.0900	0.000	1	108.7835	0.217	4	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	109.0080	0.000	1	109.0080	0.000	1	108.7835	0.217	4	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	109.0880	0.000	1	109.0880	0.000	1	108.7835	0.217	4	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2H)(CCC)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[6]2H)(CCC)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	108.4100	1.264	2	108.4100	1.598	2	108.5569	0.369	9	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2H)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[6]2H)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	107.9320	0.088	2	107.9320	0.008	2	108.5569	0.369	9	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2H)(COO)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[6]2H)(COO)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	108.8860	0.000	1	108.8860	0.000	1	108.5569	0.369	9	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	108.8605	0.120	4	108.8605	0.014	4	108.5569	0.369	9	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C-3:O-2:H-1:	S-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(COO)(OS)(H)	O(SC[6a]OO)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]O[6]C)(COO)(OS)(H)	O(SC[6a]OO)(CC[6]CH)	H(CC[6]CO)	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	O(CC[6]2H)(SiC3)	H(CC[6]2O)	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	O(CC[6]2H)(SiC3)	H(CC[6]2O)	107.7010	0.010	2	107.7010	0.000	2	107.7010	0.000	2	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[6]H)(CH3)	H(CC[6a]C[6]O)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[6]H)(CH3)	H(CC[6a]C[6]O)	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	108.4764	8.982	159	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:3:2:1:	5:4:	4:	C-4:C-3:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)(CHH)(OP)(H)	O(PDyCOO)(CCCH)	H(CCCO)	C(CH3)(CHH)(OP)(H)	O(PDyCOO)(CCCH)	H(CCCO)	93.9059	0.000	1	93.9059	0.000	1	93.9059	0.000	1	93.9059	0.000	1	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	Ga-3:C-4:	C-4:	C(CHHN)(CH3)(OGa)(H)	O(GaClO)(CCCH)	H(CCCO)	C(CHHN)(CH3)(OGa)(H)	O(GaClO)(CCCH)	H(CCCO)	108.8950	0.014	2	108.8950	0.000	2	108.8950	0.000	2	107.4640	6.143	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	3:4:	4:	C-4:C-4:O-2:H-1:	P-3:C-4:	C-4:	C(CH3)2(OP)(H)	O(PC[5x3,5x5,20x6]C[5])(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PC[5x3,5x5,20x6]C[5])(CCCH)	H(CCCO)	104.6020	0.000	1	104.6020	0.000	1	104.6020	0.000	1	107.4640	6.143	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CB[5]CH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CB[5]CH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1750	0.000	1	108.1750	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CBrCC)(CBrHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CBrCC)(CBrHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.9910	0.000	1	106.9910	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CBrCH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CBrCH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7830	0.000	1	107.7830	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CBrCH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CBrCH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	107.0410	1.691	2	107.0410	2.861	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CBrHH)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CBrHH)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.1085	0.169	2	109.1085	0.029	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC3)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC3)2(OH)(H)	O(CCCH)(H)	H(CCCO)	104.8340	0.000	1	104.8340	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.1415	0.500	6	107.1415	0.250	6	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.1195	1.304	4	106.1195	1.700	4	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7016	0.982	42	107.7016	0.963	42	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.4030	0.843	5	107.4030	0.710	5	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.5436	0.868	8	107.5436	0.753	8	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.6703	2.663	13	107.6703	7.092	13	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3652	0.752	6	108.3652	0.565	6	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1820	0.784	5	108.1820	0.615	5	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	107.9584	0.923	56	107.9584	0.852	56	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCN)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCN)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2200	0.000	1	108.2200	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCN)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCN)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.3400	0.000	1	107.3400	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCN)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCN)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7260	0.000	1	108.7260	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCO)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.5055	0.736	26	107.5055	0.542	26	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8100	0.000	1	108.8100	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCCO)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCCO)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.8020	0.693	3	107.8020	0.481	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCFF)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCFF)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.3390	0.000	1	109.3390	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCFF)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCFF)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.9920	0.000	1	106.9920	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCFH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCFH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.0920	0.000	1	110.0920	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0111	1.430	14	108.0111	2.046	14	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5581	0.971	13	108.5581	0.943	13	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7250	1.155	40	107.7250	1.335	40	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CF3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CF3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3420	1.090	3	108.3420	1.188	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.9124	2.521	45	107.9124	6.356	45	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.0911	2.512	21	109.0911	6.310	21	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.2270	0.000	1	109.2270	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CHHP)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CHHP)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8480	0.000	1	108.8480	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.2085	1.754	2	109.2085	3.078	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2640	1.125	33	108.2640	1.266	33	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.4340	0.000	1	107.4340	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6595	3.030	15	108.6595	9.179	15	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.3234	1.364	48	109.3234	1.861	48	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2620	0.957	3	108.2620	0.915	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.5550	1.278	3	107.5550	1.633	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.2270	0.741	2	109.2270	0.549	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHN)2(OH)(H)	O(CCCH)(H)	H(CCCO)	110.1480	0.000	1	110.1480	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7408	0.494	5	107.7408	0.244	5	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CFHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CFHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7670	0.000	1	107.7670	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1240	1.350	16	108.1240	1.822	16	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1844	0.908	8	108.1844	0.825	8	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7086	1.179	79	108.7086	1.390	79	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6220	0.168	2	108.6220	0.028	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3149	1.352	99	108.3149	1.829	99	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCNS)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCNS)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.7100	0.000	1	106.7100	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[3]HH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[3]HH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.2470	0.000	1	106.2470	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[3]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[3]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2730	0.000	1	108.2730	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[3x6]HN)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[3x6]HN)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4180	0.000	1	108.4180	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[4]CC)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[4]CC)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4400	0.000	1	108.4400	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5,6,6]HH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5,6,6]HH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.6280	0.000	1	106.6280	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5,6]CH)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5,6]CH)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0399	1.828	8	108.0399	3.343	8	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]CH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.7330	1.414	2	109.7330	2.000	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]CH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3107	0.308	4	108.3107	0.095	4	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]CH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]CH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5140	0.000	1	108.5140	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]CH)(CC[5]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.6235	0.855	11	107.6235	0.731	11	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]CO)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]CO)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.8296	0.899	5	107.8296	0.808	5	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]CO)(CC[5]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]CO)(CC[5]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8370	0.000	1	108.8370	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0530	0.000	1	108.0530	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7995	0.808	2	108.7995	0.653	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HH)(CClHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HH)(CClHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.4340	0.000	1	109.4340	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	99.8005	12.051	3	99.8005	145.237	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.5230	0.000	1	107.5230	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HO)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HO)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.2725	1.587	2	107.2725	2.520	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	105.9508	6.769	10	105.9508	45.817	10	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HO)(CC[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HO)(CC[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2430	0.000	1	108.2430	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HO)(CClCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HO)(CClCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5940	0.000	1	108.5940	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HO)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HO)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	113.2470	0.000	1	113.2470	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5]HO)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5]HO)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.0396	0.686	5	109.0396	0.470	5	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5a]CH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5a]CH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.5680	0.000	1	107.5680	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5a]HH)(CCl3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5a]HH)(CCl3)(OH)(H)	O(CCCH)(H)	H(CCCO)	93.7181	0.000	1	93.7181	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5a]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5a]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7971	0.929	8	108.7971	0.862	8	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5a]HO)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[5a]HO)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.2100	0.000	1	109.2100	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]CH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]CH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.5293	0.769	4	107.5293	0.591	4	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]CH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	104.4190	0.000	1	104.4190	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]CH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5785	0.520	2	108.5785	0.270	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]CH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]CH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.3620	0.000	1	109.3620	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HH)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HH)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.2830	0.000	1	107.2830	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8461	0.718	15	108.8461	0.515	15	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.2580	1.211	2	107.2580	1.465	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5760	0.277	2	108.5760	0.077	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HO)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HO)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.8220	0.000	1	107.8220	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HO)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HO)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.2437	0.236	3	109.2437	0.056	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6]HO)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6]HO)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.3570	0.000	1	109.3570	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]2H)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]2H)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4440	0.000	1	108.4440	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]2O)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]2O)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3225	0.873	6	108.3225	0.763	6	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CC)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CC)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0620	0.957	2	108.0620	0.917	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	105.9435	0.985	2	105.9435	0.970	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0040	0.000	1	108.0040	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5]CH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4800	0.000	1	108.4800	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CC[5]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.3010	0.000	1	110.3010	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.9680	0.137	2	108.9680	0.019	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CF3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CF3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6695	0.600	2	108.6695	0.360	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3580	0.000	1	108.3580	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1157	0.070	3	108.1157	0.005	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]CO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0480	0.744	3	108.0480	0.554	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]C[4]O)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]C[4]O)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.4610	0.000	1	106.4610	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]C[6]H)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.9340	0.000	1	108.9340	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7080	0.000	1	107.7080	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4855	0.166	2	108.4855	0.028	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5130	0.715	14	108.5130	0.512	14	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.9080	0.000	1	107.9080	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2722	1.302	6	108.2722	1.695	6	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CC[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	104.2581	6.668	2	104.2581	44.461	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.7515	0.046	2	109.7515	0.002	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CCl2H)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CCl2H)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.5340	0.000	1	107.5340	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CCl3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CCl3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8610	0.000	1	108.8610	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CClCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CClCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7920	0.000	1	107.7920	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1184	0.690	9	108.1184	0.476	9	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.1293	0.684	3	109.1293	0.467	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.9680	0.000	1	110.9680	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CN[5]CH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CN[5]CH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.4630	0.526	2	109.4630	0.277	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HH)(CN[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HH)(CN[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.7770	0.000	1	109.7770	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HN)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HN)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	106.5830	0.274	2	106.5830	0.075	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HN)(CCCF)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HN)(CCCF)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.9710	0.000	2	109.9710	0.000	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HN)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HN)(CCCO)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.0720	0.000	1	110.0720	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HN)(CCFH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HN)(CCFH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5090	0.000	1	108.5090	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HN)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HN)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4258	0.864	5	108.4258	0.747	5	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HO)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	105.5720	0.000	1	105.5720	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HO)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.1915	0.409	2	109.1915	0.168	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HO)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.0520	0.000	1	110.0520	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(CClHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HO)(CClHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3300	1.185	2	108.3300	1.404	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8545	0.373	2	108.8545	0.139	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HO)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HO)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.0420	0.417	2	109.0420	0.174	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]HP)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]HP)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3757	0.411	3	108.3757	0.169	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]N[5]H)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]N[5]H)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2100	0.000	1	108.2100	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.4580	0.000	1	107.4580	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCl3)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CCl3)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.9760	1.720	2	107.9760	2.957	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CClCH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CClCH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3020	0.078	3	108.3020	0.006	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CClCH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CClCH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.7710	1.143	2	108.7710	1.306	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CClCH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CClCH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.0625	1.453	6	109.0625	2.111	6	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CClCH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CClCH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0530	0.000	1	108.0530	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CClCH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CClCH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	107.5164	0.890	5	107.5164	0.791	5	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CClHH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CClHH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.4660	0.000	1	107.4660	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CClHH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CClHH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.6595	0.185	2	109.6595	0.034	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CClHH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CClHH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.0410	0.000	1	109.0410	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CF3)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CF3)2(OH)(H)	O(CCCH)(H)	H(CCCO)	109.4925	1.436	23	109.4925	2.062	23	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CFFH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CFFH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8680	0.352	2	108.8680	0.124	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CFHH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CFHH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.3790	0.508	2	108.3790	0.258	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CH3)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CH3)2(OH)(H)	O(CCCH)(H)	H(CCCO)	107.3031	3.494	132	107.3031	12.207	132	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHN)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHN)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.1680	1.564	2	107.1680	2.446	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHN)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHN)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1308	1.600	14	108.1308	2.559	14	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHN)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHN)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6561	1.075	14	108.6561	1.155	14	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHN)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHN)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.8030	0.000	1	109.8030	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHN)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHN)2(OH)(H)	O(CCCH)(H)	H(CCCO)	107.9468	2.098	43	107.9468	4.402	43	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHO)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.5485	0.139	2	109.5485	0.019	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHO)(CHNN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHO)(CHNN)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.7880	0.000	1	109.7880	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHO)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHO)2(OH)(H)	O(CCCH)(H)	H(CCCO)	108.4861	0.919	33	108.4861	0.845	33	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHP)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHP)(CC3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2705	0.204	2	108.2705	0.042	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHS)(CF3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHS)(CF3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.9030	1.222	3	108.9030	1.494	3	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHS)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHS)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8365	0.820	12	108.8365	0.672	12	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHS)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CHHS)2(OH)(H)	O(CCCH)(H)	H(CCCO)	109.4150	0.264	2	109.4150	0.070	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]CH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]CH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0335	1.006	2	108.0335	1.012	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]HH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]HH)(CCCH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.3740	0.000	1	107.3740	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]HH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]HH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.3650	0.400	2	109.3650	0.160	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]HH)(CClHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]HH)(CClHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.0320	0.000	1	109.0320	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.2490	0.000	1	109.2490	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]HH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]HH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.4780	1.048	2	107.4780	1.098	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]HH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]HH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	110.1530	0.000	1	110.1530	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]HH)(CN[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]HH)(CN[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.3790	0.000	1	109.3790	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5]HH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5]HH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	106.7150	0.000	1	106.7150	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5a]HH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5a]HH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.0490	0.000	1	107.0490	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5a]HH)(CClHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5a]HH)(CClHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.8599	1.419	14	109.8599	2.013	14	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5a]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5a]HH)(CH3)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8095	0.619	6	108.8095	0.383	6	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5a]HH)(CN[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5a]HH)(CN[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	112.7510	0.000	1	112.7510	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[5a]HH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[5a]HH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2810	2.056	2	108.2810	4.228	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[6]HH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[6]HH)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	109.5070	0.045	2	109.5070	0.002	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[6]HH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[6]HH)(CHHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.6930	0.000	1	108.6930	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[6]HH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[6]HH)(CHHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	107.7790	1.332	9	107.7790	1.775	9	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[6]HH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[6]HH)(CHHS)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.1220	0.000	1	108.1220	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.5070	0.724	2	108.5070	0.524	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CN[6a]HH)(CC[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CN[6a]HH)(CC[6]HH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.2980	0.000	1	108.2980	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CRhCH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CRhCH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	111.8825	1.070	2	111.8825	1.145	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CSeCC)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CSeCC)(CCHN)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.8330	0.000	1	108.8330	0.000	1	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CSeHH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CSeHH)2(OH)(H)	O(CCCH)(H)	H(CCCO)	109.3620	0.535	5	109.3620	0.286	5	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(CSiHH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	C(CSiHH)(CCHH)(OH)(H)	O(CCCH)(H)	H(CCCO)	108.0835	0.887	2	108.0835	0.788	2	108.1756	4.324	1228	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.3000	0.000	1	107.3000	0.000	1	107.3000	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHN)(PO3)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(CCHN)(PO3)(OH)(H)	O(CCHP)(H)	H(CCOP)	108.1610	0.000	1	108.1610	0.000	1	108.8684	0.664	7	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHO)(PO3)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(CCHO)(PO3)(OH)(H)	O(CCHP)(H)	H(CCOP)	109.1347	1.033	3	109.1347	1.067	3	108.8684	0.664	7	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHS)(PO3)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(CCHS)(PO3)(OH)(H)	O(CCHP)(H)	H(CCOP)	109.6640	0.000	1	109.6640	0.000	1	108.8684	0.664	7	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(CC[6a]CH)(PO3)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(CC[6a]CH)(PO3)(OH)(H)	O(CCHP)(H)	H(CCOP)	108.1930	0.000	1	108.1930	0.000	1	108.8684	0.664	7	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(CHHS)(PCCO)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(CHHS)(PCCO)(OH)(H)	O(CCHP)(H)	H(CCOP)	108.6570	0.000	1	108.6570	0.000	1	108.8684	0.664	7	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C-4:Si-4:O-2:H-1:	C-4:H-1:	C-4:	C(CCHH)(SiC3)(OH)(H)	O(CSiCH)(H)	H(CSiCO)	C(CCHH)(SiC3)(OH)(H)	O(CSiCH)(H)	H(CSiCO)	103.7270	0.000	1	103.7270	0.000	1	103.7270	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3,5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3,5]C[3,5]C[5,6]O[3])(CH3)(OH)(H)	O(CC[3,5]CH)(H)	H(CC[3,5]CO)	C(C[3,5]C[3,5]C[5,6]O[3])(CH3)(OH)(H)	O(CC[3,5]CH)(H)	H(CC[3,5]CO)	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[3]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(C[3]C[3]O[3]H)(OH)(H)	O(CC[3,6]C[3]H)(H)	H(CC[3,6]C[3]O)	C(C[3,6]C[3,6]C[6]O[3])(C[3]C[3]O[3]H)(OH)(H)	O(CC[3,6]C[3]H)(H)	H(CC[3,6]C[3]O)	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.0570	0.000	1	109.0570	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	110.1690	0.000	1	110.1690	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2C)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2C)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	107.7270	0.000	1	107.7270	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2H)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	108.4987	0.181	3	108.4987	0.033	3	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2H)(CCHH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.2110	0.000	1	109.2110	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(CH3)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2H)(CH3)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.7910	0.000	1	109.7910	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(CHHO)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2H)(CHHO)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.1487	0.196	3	109.1487	0.039	3	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2O)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2O)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	108.1470	0.000	1	108.1470	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2S)(CCHH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]2S)(CCHH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.1460	0.366	2	109.1460	0.134	2	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	108.9170	0.000	1	108.9170	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	106.6240	0.000	1	106.6240	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.0600	0.000	1	109.0600	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	107.3761	0.622	9	107.3761	0.386	9	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	108.3925	0.667	2	108.3925	0.445	2	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	108.1270	0.000	1	108.1270	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.2697	1.085	3	109.2697	1.177	3	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	O(CC[3]CH)(H)	H(CC[3]CO)	109.5670	0.000	1	109.5670	0.000	1	108.4427	1.019	33	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	O(CC[3]C[5]H)(H)	H(CC[3]C[5]O)	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	O(CC[3]C[5]H)(H)	H(CC[3]C[5]O)	105.9050	0.000	1	105.9050	0.000	1	105.9050	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	O(CC[3]C[6]H)(H)	H(CC[3]C[6]O)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	O(CC[3]C[6]H)(H)	H(CC[3]C[6]O)	109.0235	0.441	2	109.0235	0.194	2	108.5102	0.295	5	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	O(CC[3]C[6]H)(H)	H(CC[3]C[6]O)	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	O(CC[3]C[6]H)(H)	H(CC[3]C[6]O)	108.0410	0.105	2	108.0410	0.011	2	108.5102	0.295	5	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	O(CC[3]C[6]H)(H)	H(CC[3]C[6]O)	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	O(CC[3]C[6]H)(H)	H(CC[3]C[6]O)	108.4220	0.000	1	108.4220	0.000	1	108.5102	0.295	5	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3,6]C[3]H)(PO3)(OH)(H)	O(CC[3]HP)(H)	H(CC[3]OP)	C(C[3]C[3,6]C[3]H)(PO3)(OH)(H)	O(CC[3]HP)(H)	H(CC[3]OP)	109.4840	0.000	1	109.4840	0.000	1	109.2215	0.138	2	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[3]-4:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	O(CC[3]HP)(H)	H(CC[3]OP)	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	O(CC[3]HP)(H)	H(CC[3]OP)	108.9590	0.000	1	108.9590	0.000	1	109.2215	0.138	2	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4,5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	O(CC[4,5]CH)(H)	H(CC[4,5]CO)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	O(CC[4,5]CH)(H)	H(CC[4,5]CO)	107.7670	0.000	1	107.7670	0.000	1	108.4910	0.412	3	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4,5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	O(CC[4,5]CH)(H)	H(CC[4,5]CO)	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	O(CC[4,5]CH)(H)	H(CC[4,5]CO)	108.8530	0.195	2	108.8530	0.038	2	108.4910	0.412	3	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	O(CC[4,6]CH)(H)	H(CC[4,6]CO)	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	O(CC[4,6]CH)(H)	H(CC[4,6]CO)	105.8730	0.000	1	105.8730	0.000	1	105.8730	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4,5]C[4]H)(CH3)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4,5]C[4]H)(CH3)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	109.4924	0.315	8	109.4924	0.100	8	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	109.1880	0.000	1	109.1880	0.000	1	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]2H)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]2H)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	106.5600	0.000	1	106.5600	0.000	1	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]2H)(CH3)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]2H)(CH3)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	108.4352	0.984	6	108.4352	0.969	6	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]2O)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]2O)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	106.7930	0.000	1	106.7930	0.000	1	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]2O)(CC[5]HH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]2O)(CC[5]HH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	107.3470	0.000	1	107.3470	0.000	1	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]2S)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]2S)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	109.5350	0.000	1	109.5350	0.000	1	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]N[4]H)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]N[4]H)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	111.9040	0.000	1	111.9040	0.000	1	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]N[4]H)(CF3)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]N[4]H)(CF3)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	109.4010	0.197	4	109.4010	0.039	4	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	104.3970	0.000	1	104.3970	0.000	1	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	O(CC[4]CH)(H)	H(CC[4]CO)	108.9665	0.234	2	108.9665	0.055	2	108.8078	2.027	27	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,5,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	O(CC[5,5,6]CH)(H)	H(CC[5,5,6]CO)	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	O(CC[5,5,6]CH)(H)	H(CC[5,5,6]CO)	104.5670	1.450	2	104.5670	2.101	2	104.5670	2.101	2	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	O(CC[5,5]CH)(H)	H(CC[5,5]CO)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	O(CC[5,5]CH)(H)	H(CC[5,5]CO)	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	O(CC[5,5]C[5]H)(H)	H(CC[5,5]C[5]O)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	O(CC[5,5]C[5]H)(H)	H(CC[5,5]C[5]O)	107.6513	0.124	3	107.6513	0.015	3	107.6513	0.015	3	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	O(CC[5,6,6]CH)(H)	H(CC[5,6,6]CO)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	O(CC[5,6,6]CH)(H)	H(CC[5,6,6]CO)	106.5287	1.843	3	106.5287	3.397	3	106.8085	2.578	4	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	O(CC[5,6,6]CH)(H)	H(CC[5,6,6]CO)	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	O(CC[5,6,6]CH)(H)	H(CC[5,6,6]CO)	107.6480	0.000	1	107.6480	0.000	1	106.8085	2.578	4	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	105.3720	0.000	1	105.3720	0.000	1	108.1727	0.989	12	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	107.9997	0.306	3	107.9997	0.094	3	108.1727	0.989	12	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	107.8330	0.000	1	107.8330	0.000	1	108.1727	0.989	12	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	108.5083	0.501	3	108.5083	0.251	3	108.1727	0.989	12	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	O(CC[5,6]CH)(H)	H(CC[5,6]CO)	108.8360	0.113	4	108.8360	0.013	4	108.1727	0.989	12	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	O(CC[5,6]C[6]H)(H)	H(CC[5,6]C[6]O)	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	O(CC[5,6]C[6]H)(H)	H(CC[5,6]C[6]O)	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.4500	0.277	3	108.4500	0.077	3	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.4850	0.000	1	107.4850	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.4560	0.000	1	107.4560	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.8240	0.000	1	109.8240	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.4000	0.000	1	108.4000	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.1990	0.000	1	109.1990	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.3982	0.266	4	108.3982	0.071	4	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.8620	0.000	1	108.8620	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	110.4650	0.000	1	110.4650	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.2320	0.105	2	109.2320	0.011	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.7050	0.000	1	107.7050	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.9930	0.000	1	107.9930	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	106.6370	0.000	1	106.6370	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.7275	0.649	6	108.7275	0.421	6	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.6260	0.000	1	107.6260	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.2780	0.502	3	108.2780	0.252	3	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.9590	0.000	1	108.9590	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.3100	0.000	1	108.3100	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.5160	0.000	1	108.5160	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.4170	0.457	2	107.4170	0.209	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.3745	1.085	6	108.3745	1.177	6	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2C)(CCCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2C)(CCCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.6490	0.000	1	107.6490	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2C)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.2360	0.776	2	107.2360	0.603	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.3470	0.000	1	108.3470	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	106.3243	0.227	6	106.3243	0.052	6	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CClHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CClHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.1460	0.000	1	108.1460	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.8576	1.246	9	108.8576	1.553	9	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.8457	1.595	6	107.8457	2.545	6	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.8068	0.601	5	108.8068	0.362	5	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.3227	0.710	4	108.3227	0.505	4	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.7590	0.000	1	109.7590	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.6705	0.893	2	107.6705	0.798	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.7160	0.000	1	108.7160	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	106.6560	0.000	1	106.6560	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.4327	0.650	6	108.4327	0.422	6	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHN)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CHHN)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.9725	0.084	2	108.9725	0.007	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.0170	0.210	3	109.0170	0.044	3	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2O)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.9150	0.177	2	107.9150	0.031	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.3330	0.010	2	107.3330	0.000	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.3746	0.863	17	108.3746	0.744	17	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.0590	0.000	1	107.0590	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.3050	0.000	1	108.3050	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.4110	1.151	2	108.4110	1.325	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.1220	0.000	1	108.1220	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.2447	0.982	4	108.2447	0.964	4	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.5420	0.363	6	108.5420	0.132	6	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.8540	0.007	2	107.8540	0.000	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.4865	0.919	2	108.4865	0.844	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.8978	0.412	4	108.8978	0.170	4	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.9430	0.000	1	108.9430	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.4615	0.388	2	108.4615	0.151	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.4800	0.000	1	108.4800	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.8230	0.000	1	107.8230	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.5670	0.960	5	107.5670	0.922	5	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.4410	0.000	1	109.4410	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.8578	1.122	5	107.8578	1.259	5	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.6624	1.040	12	108.6624	1.081	12	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.8792	0.917	4	107.8792	0.841	4	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.6227	1.463	8	108.6227	2.140	8	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.1223	0.290	3	108.1223	0.084	3	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.3150	0.000	1	108.3150	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.3255	0.411	2	107.3255	0.169	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.2538	0.754	6	108.2538	0.568	6	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.7743	0.260	4	108.7743	0.068	4	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.4500	1.707	2	108.4500	2.914	2	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.4980	0.000	1	107.4980	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.4526	2.370	5	109.4526	5.619	5	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.0539	1.404	42	109.0539	1.970	42	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.0010	0.000	1	109.0010	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.2987	0.466	3	108.2987	0.217	3	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	108.7090	0.000	1	108.7090	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.9270	0.000	1	107.9270	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	112.4365	0.712	4	112.4365	0.507	4	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]O[5]2C)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]O[5]2C)(CCHH)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	109.0980	0.000	1	109.0980	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	O(CC[5]CH)(H)	H(CC[5]CO)	107.8260	0.000	1	107.8260	0.000	1	108.5131	1.487	253	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(C[5]C[5]2Fe)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5,5]C[5]C)(C[5]C[5]2Fe)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	108.7210	0.000	1	108.7210	0.000	1	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	108.4537	0.825	3	108.4537	0.680	3	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	107.5470	0.000	1	107.5470	0.000	1	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)2(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5]2H)2(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	108.8010	0.000	1	108.8010	0.000	1	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	107.7946	1.544	7	107.7946	2.384	7	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	107.7000	0.407	2	107.7000	0.166	2	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	108.5037	0.183	4	108.5037	0.034	4	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	109.0720	0.000	1	109.0720	0.000	1	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)2(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)2(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	108.2350	1.290	3	108.2350	1.665	3	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	O(CC[5]2H)(H)	H(CC[5]2O)	108.4010	0.000	1	108.4010	0.000	1	108.1910	1.014	24	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	106.2348	0.756	5	106.2348	0.571	5	106.8484	1.131	8	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	108.5060	0.000	1	108.5060	0.000	1	106.8484	1.131	8	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	107.6090	0.000	1	107.6090	0.000	1	106.8484	1.131	8	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	107.4980	0.000	1	107.4980	0.000	1	106.8484	1.131	8	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[5]-4:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	O(CC[5]HP)(H)	H(CC[5]OP)	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	O(CC[5]HP)(H)	H(CC[5]OP)	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	O(CC[6,6]CH)(H)	H(CC[6,6]CO)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	O(CC[6,6]CH)(H)	H(CC[6,6]CO)	108.8958	0.207	5	108.8958	0.043	5	108.3620	0.689	11	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	O(CC[6,6]CH)(H)	H(CC[6,6]CO)	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	O(CC[6,6]CH)(H)	H(CC[6,6]CO)	107.9118	1.013	5	107.9118	1.027	5	108.3620	0.689	11	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	O(CC[6,6]CH)(H)	H(CC[6,6]CO)	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	O(CC[6,6]CH)(H)	H(CC[6,6]CO)	107.9440	0.000	1	107.9440	0.000	1	108.3620	0.689	11	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6,6]N[3x6]P[3x6]H)(C[5]C[5]2Fe)(OH)(H)	O(CC[6,6]C[5]H)(H)	H(CC[6,6]C[5]O)	C(C[6,6]N[3x6]P[3x6]H)(C[5]C[5]2Fe)(OH)(H)	O(CC[6,6]C[5]H)(H)	H(CC[6,6]C[5]O)	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	105.5785	1.382	4	105.5785	1.911	4	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.1340	0.153	2	109.1340	0.023	2	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.4411	0.792	18	107.4411	0.627	18	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.5350	0.000	1	109.5350	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.2040	0.000	1	107.2040	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	105.2740	0.000	1	105.2740	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.5900	0.727	3	108.5900	0.529	3	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.1180	0.000	1	109.1180	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2C)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	105.1500	0.000	1	105.1500	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	111.0580	0.000	1	111.0580	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2C)(CClHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2C)(CClHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.6840	0.000	1	107.6840	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2C)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2C)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.1002	0.351	6	108.1002	0.123	6	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2C)(CHHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2C)(CHHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.0305	0.409	4	108.0305	0.168	4	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2Cr)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2Cr)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	110.0250	0.000	1	110.0250	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.7320	0.365	3	107.7320	0.133	3	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.0411	2.115	8	107.0411	4.472	8	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.5483	2.329	7	108.5483	5.423	7	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.7900	0.000	1	108.7900	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.7800	0.000	1	108.7800	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.7015	0.872	2	107.7015	0.760	2	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.9635	0.261	2	107.9635	0.068	2	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.8175	0.050	2	107.8175	0.003	2	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	103.9080	0.000	2	103.9080	0.000	2	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.5769	0.999	32	107.5769	0.999	32	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.0850	0.000	1	109.0850	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.6950	0.042	2	108.6950	0.002	2	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.0550	0.000	1	108.0550	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.7997	0.896	3	107.7997	0.803	3	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)(CHHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CHHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	104.4540	0.000	1	104.4540	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2Ru)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2Ru)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.1785	0.277	6	109.1785	0.077	6	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2S)(CCCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]2S)(CCCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	104.8470	0.000	1	104.8470	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.6520	0.921	4	107.6520	0.847	4	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.6740	0.000	1	108.6740	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.5150	0.000	1	107.5150	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.4650	0.098	2	109.4650	0.010	2	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	100.0040	0.000	1	100.0040	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.6968	0.382	4	108.6968	0.146	4	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	113.1640	0.000	1	113.1640	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.0040	0.000	1	107.0040	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.2447	1.005	3	109.2447	1.010	3	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.2760	0.311	2	108.2760	0.097	2	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	107.9737	1.267	3	107.9737	1.605	3	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	104.9450	0.000	1	104.9450	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.1570	0.000	1	109.1570	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.4200	0.000	1	108.4200	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	109.3342	1.120	5	109.3342	1.255	5	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	108.5518	1.129	5	108.5518	1.275	5	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	O(CC[6]CH)(H)	H(CC[6]CO)	106.7660	0.000	1	106.7660	0.000	1	107.8353	2.608	157	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[5]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	O(CC[5]C[6]H)(H)	H(CC[5]C[6]O)	105.4330	0.000	1	105.4330	0.000	1	105.4330	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	108.0190	0.000	1	108.0190	0.000	1	107.8353	1.732	6	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	108.3700	0.000	1	108.3700	0.000	1	107.8353	1.732	6	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	108.6100	0.000	1	108.6100	0.000	1	107.8353	1.732	6	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2C)2(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	C(C[6]C[6]2C)2(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	105.1820	0.000	1	105.1820	0.000	1	107.8353	1.732	6	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]2H)2(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	C(C[6]C[6]2H)2(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	108.3030	0.000	1	108.3030	0.000	1	107.8353	1.732	6	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	O(CC[6]2H)(H)	H(CC[6]2O)	108.5280	0.000	1	108.5280	0.000	1	107.8353	1.732	6	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	C[6]-4:P-4:O-2:H-1:	C-4:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	O(CC[6]HP)(H)	H(CC[6]OP)	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	O(CC[6]HP)(H)	H(CC[6]OP)	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	N-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(NCoCH)(CHHN)(OH)(H)	O(CCHN)(H)	H(CCNO)	C(NCoCH)(CHHN)(OH)(H)	O(CCHN)(H)	H(CCNO)	110.3140	0.000	1	110.3140	0.000	1	110.3140	0.000	1	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	P-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(PC[6a]2O)(CCHH)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(PC[6a]2O)(CCHH)(OH)(H)	O(CCHP)(H)	H(CCOP)	103.7180	0.000	1	103.7180	0.000	1	106.4380	5.627	3	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	P-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(PC[6a]2Pd)(CCHH)(OH)(H)	O(CCHP)(H)	H(CCOP)	108.0780	0.000	1	108.0780	0.000	1	106.4380	5.627	3	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:1:	4:	P-4:C-4:O-2:H-1:	C-4:H-1:	C-4:	C(PC[6a]OO)(CCCH)(OH)(H)	O(CCHP)(H)	H(CCOP)	C(PC[6a]OO)(CCCH)(OH)(H)	O(CCHP)(H)	H(CCOP)	107.5180	0.000	1	107.5180	0.000	1	106.4380	5.627	3	108.1899	3.576	1801	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:2:	4:	C[3]-4:C[3]-4:O-2:H-1:	C-4:S-2:	C-4:	C(C[3]C[3]2H)2(OS)(H)	O(CC[3]2H)(SC[6a])	H(CC[3]2O)	C(C[3]C[3]2H)2(OS)(H)	O(CC[3]2H)(SC[6a])	H(CC[3]2O)	108.9960	0.000	1	108.9960	0.000	1	108.9960	0.000	1	108.3020	0.963	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:2:	4:	C[6]-4:C[5]-4:O-2:H-1:	C-4:O-2:	C-4:	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	O(CC[5]C[6]H)(OH)	H(CC[5]C[6]O)	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	O(CC[5]C[6]H)(OH)	H(CC[5]C[6]O)	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	108.3020	0.963	2	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:Ga-3:	C-4:	C(CHHN)(CH3)(OGa)(H)	O(CCCH)(GaCO)	H(CCCO)	C(CHHN)(CH3)(OGa)(H)	O(CCCH)(GaCO)	H(CCCO)	108.7515	0.005	2	108.7515	0.000	2	108.6286	0.166	5	109.0935	0.684	13	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:Ga-3:	C-4:	C(CHHN)(CHHS)(OGa)(H)	O(CCCH)(GaOO)	H(CCCO)	C(CHHN)(CHHS)(OGa)(H)	O(CCCH)(GaOO)	H(CCCO)	108.5467	0.554	3	108.5467	0.307	3	108.6286	0.166	5	109.0935	0.684	13	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(CCHH)(CH3)(ON)(H)	O(CCCH)(NCH)	H(CCCO)	C(CCHH)(CH3)(ON)(H)	O(CCCH)(NCH)	H(CCCO)	110.1300	0.202	2	110.1300	0.041	2	109.9898	0.043	4	109.0935	0.684	13	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:	C-4:	C(CCHO)(CHHO)(ON)(H)	O(CCCH)(NOO)	H(CCCO)	C(CCHO)(CHHO)(ON)(H)	O(CCCH)(NOO)	H(CCCO)	109.8495	0.093	2	109.8495	0.009	2	109.9898	0.043	4	109.0935	0.684	13	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:P-3:	C-4:	C(CHHN)(CH3)(OP)(H)	O(CCCH)(POO)	H(CCCO)	C(CHHN)(CH3)(OP)(H)	O(CCCH)(POO)	H(CCCO)	108.6170	1.585	2	108.6170	2.513	2	108.6170	2.513	2	109.0935	0.684	13	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:H-1:	C-4:S-3:	C-4:	C(CCHN)(CH3)(OS)(H)	O(CCCH)(SOO)	H(CCCO)	C(CCHN)(CH3)(OS)(H)	O(CCCH)(SOO)	H(CCCO)	108.9395	0.323	2	108.9395	0.104	2	108.9395	0.104	2	109.0935	0.684	13	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	B-4:C-4:	C-4:	C(CH3)2(OB)(H)	O(BC[5a]C[6]O)(CCCH)	H(CCCO)	C(CH3)2(OB)(H)	O(BC[5a]C[6]O)(CCCH)	H(CCCO)	108.4225	0.286	2	108.4225	0.082	2	108.4225	0.082	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:B-4:	C-4:	C(CF3)2(OB)(H)	O(CCCH)(BO3)	H(CCCO)	C(CF3)2(OB)(H)	O(CCCH)(BO3)	H(CCCO)	108.6485	0.229	4	108.6485	0.053	4	108.3564	0.466	5	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:B-4:	C-4:	C(CN[5]HH)(CC3)(OB)(H)	O(CCCH)(BC3)	H(CCCO)	C(CN[5]HH)(CC3)(OB)(H)	O(CCCH)(BC3)	H(CCCO)	107.1880	0.000	1	107.1880	0.000	1	108.3564	0.466	5	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CBrCC)(CCCH)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CBrCC)(CCCH)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.7480	0.000	1	108.7480	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CBrCH)(CCHH)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	109.8470	0.000	1	109.8470	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CBrCH)(CCHH)(OC)(H)	O(CCCH)2	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	O(CCCH)2	H(CCCO)	108.7447	0.721	7	108.7447	0.520	7	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CC3)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCCH)(CC3)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	107.4570	0.331	2	107.4570	0.110	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CCHH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.7785	0.421	6	108.7785	0.178	6	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CCHH)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	108.8850	0.000	1	108.8850	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	109.1840	0.000	1	109.1840	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.0180	0.798	3	108.0180	0.637	3	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CH3)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCCH)(CH3)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.2720	0.000	1	108.2720	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CHHN)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CCCH)(CHHN)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	109.1040	0.000	1	109.1040	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CHHN)(OC)(H)	O(CC[5a]HH)(CCCH)	H(CCCO)	C(CCCH)(CHHN)(OC)(H)	O(CC[5a]HH)(CCCH)	H(CCCO)	109.0380	0.000	1	109.0380	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)(CHHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCCH)(CHHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	109.7523	0.901	3	109.7523	0.812	3	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCH)2(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCCH)2(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.6150	0.450	8	108.6150	0.203	8	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCO)(CCHH)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	108.4750	0.000	1	108.4750	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCO)(CCHH)(OC)(H)	O(CCCH)2	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	O(CCCH)2	H(CCCO)	107.7067	3.139	4	107.7067	9.853	4	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCCO)(CHHO)(OC)(H)	O(CC[6a]CO)(CCCH)	H(CCCO)	C(CCCO)(CHHO)(OC)(H)	O(CC[6a]CO)(CCCH)	H(CCCO)	108.7340	0.033	2	108.7340	0.001	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CC3)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	C(CCHH)(CC3)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	108.5770	0.000	1	108.5770	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CC3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHH)(CC3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	106.0425	0.124	2	106.0425	0.015	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CCHN)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHH)(CCHN)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.7750	0.000	1	108.7750	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CCHN)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHH)(CCHN)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	107.9800	0.000	1	107.9800	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	109.0470	0.000	1	109.0470	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.1006	0.740	5	108.1006	0.548	5	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.5620	0.378	2	108.5620	0.143	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CCCH)(CF3)	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CCCH)(CF3)	H(CCCO)	109.5520	0.136	2	109.5520	0.018	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CCCH)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CCCH)2	H(CCCO)	107.4554	0.807	5	107.4554	0.652	5	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CC[5]CH)(CCCH)	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CC[5]CH)(CCCH)	H(CCCO)	108.6850	0.000	1	108.6850	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CC[6]CH)(CCCH)	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CC[6]CH)(CCCH)	H(CCCO)	109.2925	0.115	2	109.2925	0.013	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CCCO)	109.4040	0.000	1	109.4040	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CH3)(OC)(H)	O(CC[6a]C[6]H)(CCCH)	H(CCCO)	C(CCHH)(CH3)(OC)(H)	O(CC[6a]C[6]H)(CCCH)	H(CCCO)	106.9465	0.320	2	106.9465	0.103	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CHHN)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CCHH)(CHHN)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	110.5360	1.769	2	110.5360	3.130	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CHHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHH)(CHHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.4870	1.922	2	108.4870	3.694	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)(CHHO)(OC)(H)	O(CCCH)2	H(CCCO)	C(CCHH)(CHHO)(OC)(H)	O(CCCH)2	H(CCCO)	107.8535	1.638	2	107.8535	2.684	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)2(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHH)2(OC)(H)	O(CCCH)(CH3)	H(CCCO)	109.0880	0.620	3	109.0880	0.384	3	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)2(OC)(H)	O(CCCH)2	H(CCCO)	C(CCHH)2(OC)(H)	O(CCCH)2	H(CCCO)	109.3490	0.267	2	109.3490	0.071	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHH)2(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHH)2(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	110.3450	0.000	1	110.3450	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHN)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHN)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	109.5750	0.000	1	109.5750	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHN)(CH3)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CCCO)	C(CCHN)(CH3)(OC)(H)	O(CC[6a]CH)(CCCH)	H(CCCO)	109.6095	0.286	2	109.6095	0.082	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHN)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHN)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.6540	0.003	2	108.6540	0.000	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.5397	0.139	3	108.5397	0.019	3	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CHHN)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHO)(CHHN)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	109.1320	0.000	1	109.1320	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	110.3440	0.000	1	110.3440	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	108.7055	0.185	2	108.7055	0.034	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	106.9010	0.187	4	106.9010	0.035	4	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	110.0699	0.363	8	110.0699	0.131	8	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CHHP)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHO)(CHHP)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.7515	0.380	2	108.7515	0.144	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CHOP)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHO)(CHOP)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	109.2520	0.228	2	109.2520	0.052	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)(CHOS)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHO)(CHOS)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.5240	0.000	1	108.5240	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)2(OC)(H)	O(CCCH)2	H(CCCO)	C(CCHO)2(OC)(H)	O(CCCH)2	H(CCCO)	109.5680	0.000	1	109.5680	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	109.0707	0.913	7	109.0707	0.834	7	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[3]CH)(CCCH)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	C(CC[3]CH)(CCCH)(OC)(H)	O(CCCH)(CHHO)	H(CCCO)	108.3540	0.000	1	108.3540	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[4]HO)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CC[4]HO)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	109.7230	0.000	1	109.7230	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]BrH)(CH3)(OC)(H)	O(CCCH)2	H(CCCO)	C(CC[5]BrH)(CH3)(OC)(H)	O(CCCH)2	H(CCCO)	109.8970	0.000	1	109.8970	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]CC)(CCCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC[5]CC)(CCCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	106.6178	0.161	4	106.6178	0.026	4	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(CCHH)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CC[5]HH)(CCHH)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.1940	0.000	1	108.1940	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.7650	0.000	1	108.7650	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]HH)2(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CC[5]HH)2(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	110.7380	0.000	1	110.7380	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.9062	0.088	4	108.9062	0.008	4	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6]CC)(CCCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC[6]CC)(CCCH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	107.1840	0.020	2	107.1840	0.000	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6]HH)(CCHN)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC[6]HH)(CCHN)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	110.2860	0.000	1	110.2860	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(CCHH)(OC)(H)	O(CC[5a]CH)(CCCH)	H(CCCO)	C(CC[6a]HH)(CCHH)(OC)(H)	O(CC[5a]CH)(CCCH)	H(CCCO)	109.0400	0.000	1	109.0400	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(CH3)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC[6a]HH)(CH3)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.9990	0.177	2	108.9990	0.031	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HH)(CN[5]HH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CC[6a]HH)(CN[5]HH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.9440	0.000	1	108.9440	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HN)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CC[6a]HN)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	109.7940	0.354	2	109.7940	0.125	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CClCH)(CCHH)(OC)(H)	O(CCCH)2	H(CCCO)	C(CClCH)(CCHH)(OC)(H)	O(CCCH)2	H(CCCO)	107.9880	0.000	1	107.9880	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CClHH)(CHHN)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	C(CClHH)(CHHN)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	108.9260	0.000	1	108.9260	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CF3)2(OC)(H)	O(CCCH)(CCCO)	H(CCCO)	C(CF3)2(OC)(H)	O(CCCH)(CCCO)	H(CCCO)	109.8250	0.000	1	109.8250	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CF3)2(OC)(H)	O(CC[6a]CH)(CCCH)	H(CCCO)	C(CF3)2(OC)(H)	O(CC[6a]CH)(CCCH)	H(CCCO)	113.2240	0.000	1	113.2240	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CFHH)(CHHN)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CFHH)(CHHN)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	110.0950	0.000	1	110.0950	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CCCO)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CCCO)	H(CCCO)	107.5730	0.000	1	107.5730	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CCCH)(CSSW)	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)(CSSW)	H(CCCO)	109.8270	0.000	1	109.8270	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CCCH)2	H(CCCO)	C(CH3)2(OC)(H)	O(CCCH)2	H(CCCO)	108.1858	2.626	36	108.1858	6.894	36	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[4]CH)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[4]CH)(CCCH)	H(CCCO)	108.1390	0.000	1	108.1390	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[6a]2H)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[6a]2H)(CCCH)	H(CCCO)	109.7430	0.000	1	109.7430	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[6a]CH)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[6a]CH)(CCCH)	H(CCCO)	109.0410	0.000	1	109.0410	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[6a]C[5]H)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[6a]C[5]H)(CCCH)	H(CCCO)	109.1630	0.000	1	109.1630	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CC[6a]HN)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CC[6a]HN)(CCCH)	H(CCCO)	109.0710	0.000	1	109.0710	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CDyCO)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CDyCO)(CCCH)	H(CCCO)	109.4966	0.212	8	109.4966	0.045	8	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CHfNO)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CHfNO)(CCCH)	H(CCCO)	109.4327	0.144	4	109.4327	0.021	4	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CH3)2(OC)(H)	O(CRhNO)(CCCH)	H(CCCO)	C(CH3)2(OC)(H)	O(CRhNO)(CCCH)	H(CCCO)	109.7340	0.000	1	109.7340	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CHHN)(CHHO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CHHN)(CHHO)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	108.3675	0.681	2	108.3675	0.464	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CHHO)(CH3)(OC)(H)	O(CCCH)(CHHN)	H(CCCO)	C(CHHO)(CH3)(OC)(H)	O(CCCH)(CHHN)	H(CCCO)	109.2780	0.000	1	109.2780	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CHHO)2(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CHHO)2(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	109.0580	0.000	1	109.0580	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CHHO)2(OC)(H)	O(CN[5a]HH)(CCCH)	H(CCCO)	C(CHHO)2(OC)(H)	O(CN[5a]HH)(CCCH)	H(CCCO)	109.8065	0.950	2	109.8065	0.902	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CHHS)2(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CHHS)2(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	109.4577	0.445	3	109.4577	0.198	3	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CIrHH)(CCHH)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	C(CIrHH)(CCHH)(OC)(H)	O(CCCH)(CCHH)	H(CCCO)	108.2890	0.000	1	108.2890	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CN[5]CH)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	C(CN[5]CH)(CH3)(OC)(H)	O(CC[6a]HH)(CCCH)	H(CCCO)	108.3210	0.000	1	108.3210	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CN[5a]HH)(CH3)(OC)(H)	O(CCCH)(CHHP)	H(CCCO)	C(CN[5a]HH)(CH3)(OC)(H)	O(CCCH)(CHHP)	H(CCCO)	109.9065	0.317	2	109.9065	0.101	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CPdCH)(CCHH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CPdCH)(CCHH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	109.0157	0.455	3	109.0157	0.207	3	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CPtCH)(CCHH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	C(CPtCH)(CCHH)(OC)(H)	O(CCCH)(CH3)	H(CCCO)	108.2850	0.574	2	108.2850	0.330	2	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(CSiCO)(CHHO)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	C(CSiCO)(CHHO)(OC)(H)	O(CCCH)(CC3)	H(CCCO)	108.1550	0.000	1	108.1550	0.000	1	108.7164	2.224	221	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Ge-4:	C-4:	C(CH3)2(OGe)(H)	O(CCCH)(GeO3)	H(CCCO)	C(CH3)2(OGe)(H)	O(CCCH)(GeO3)	H(CCCO)	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CCHH)(CHHN)(OP)(H)	O(CCCH)(PCOO)	H(CCCO)	C(CCHH)(CHHN)(OP)(H)	O(CCCH)(PCOO)	H(CCCO)	108.3230	0.000	1	108.3230	0.000	1	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CCHN)(CH3)(OP)(H)	O(CCCH)(PO3)	H(CCCO)	C(CCHN)(CH3)(OP)(H)	O(CCCH)(PO3)	H(CCCO)	109.0263	0.397	3	109.0263	0.157	3	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CF3)2(OP)(H)	O(CCCH)(PO3)	H(CCCO)	C(CF3)2(OP)(H)	O(CCCH)(PO3)	H(CCCO)	111.0580	0.252	3	111.0580	0.063	3	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CH3)2(OP)(H)	O(CCCH)(PCHW)	H(CCCO)	C(CH3)2(OP)(H)	O(CCCH)(PCHW)	H(CCCO)	109.2150	0.000	1	109.2150	0.000	1	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CH3)2(OP)(H)	O(CCCH)(PCOO)	H(CCCO)	C(CH3)2(OP)(H)	O(CCCH)(PCOO)	H(CCCO)	109.2285	1.196	43	109.2285	1.431	43	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CH3)2(OP)(H)	O(CCCH)(PNNS)	H(CCCO)	C(CH3)2(OP)(H)	O(CCCH)(PNNS)	H(CCCO)	109.7270	0.338	2	109.7270	0.114	2	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CH3)2(OP)(H)	O(CCCH)(PNOO)	H(CCCO)	C(CH3)2(OP)(H)	O(CCCH)(PNOO)	H(CCCO)	109.3780	0.236	14	109.3780	0.056	14	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CH3)2(OP)(H)	O(CCCH)(PNOS)	H(CCCO)	C(CH3)2(OP)(H)	O(CCCH)(PNOS)	H(CCCO)	109.3450	0.685	100	109.3450	0.469	100	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CH3)2(OP)(H)	O(CCCH)(PO3)	H(CCCO)	C(CH3)2(OP)(H)	O(CCCH)(PO3)	H(CCCO)	108.8794	0.726	5	108.8794	0.527	5	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CH3)2(OP)(H)	O(CCCH)(POOS)	H(CCCO)	C(CH3)2(OP)(H)	O(CCCH)(POOS)	H(CCCO)	109.0540	0.584	4	109.0540	0.341	4	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CH3)2(OP)(H)	O(CCCH)(POSS)	H(CCCO)	C(CH3)2(OP)(H)	O(CCCH)(POSS)	H(CCCO)	109.2811	1.078	16	109.2811	1.161	16	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:	C-4:	C(CHHN)(CH3)(OP)(H)	O(CCCH)(PO3)	H(CCCO)	C(CHHN)(CH3)(OP)(H)	O(CCCH)(PO3)	H(CCCO)	109.9400	0.177	5	109.9400	0.031	5	109.3334	0.729	197	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(CCCH)(CH3)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	C(CCCH)(CH3)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	108.7985	0.773	2	108.7985	0.597	2	109.1351	0.678	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(CCHH)(CH3)(OS)(H)	O(CCCH)(SO3)	H(CCCO)	C(CCHH)(CH3)(OS)(H)	O(CCCH)(SO3)	H(CCCO)	110.0470	0.243	2	110.0470	0.059	2	109.1351	0.678	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(CCHN)(CHHN)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	C(CCHN)(CHHN)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	110.4120	0.000	1	110.4120	0.000	1	109.1351	0.678	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(CCHO)(CHHO)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	C(CCHO)(CHHO)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	108.7055	0.477	4	108.7055	0.227	4	109.1351	0.678	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(CCHO)(CHOP)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	C(CCHO)(CHOP)(OS)(H)	O(CCCH)(SCOO)	H(CCCO)	108.4260	0.000	1	108.4260	0.000	1	109.1351	0.678	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCCH)(CCCN)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCCH)(CCCN)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.3550	0.000	1	108.3550	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCCH)(CCHH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCCH)(CCHH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.0670	1.212	14	108.0670	1.469	14	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCCH)(CHHO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCCH)(CHHO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	107.4420	0.000	1	107.4420	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCCH)2(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCCH)2(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	107.9153	0.582	8	107.9153	0.338	8	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCCN)(CCHH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCCN)(CCHH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.9940	0.000	1	108.9940	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCCO)(CCHO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCCO)(CCHO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	105.4510	0.000	1	105.4510	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHH)(CC3)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.8850	0.000	1	108.8850	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHH)(CCHO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHH)(CCHO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.3305	0.016	2	108.3305	0.000	2	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHH)2(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHH)2(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.2870	0.000	1	108.2870	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHN)(CCHO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHN)(CCHO)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.8820	0.000	1	108.8820	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHO)(CH3)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHO)(CH3)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.4973	0.283	3	108.4973	0.080	3	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHO)(CHHN)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHO)(CHHN)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	111.6660	0.000	1	111.6660	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CCHO)2(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CCHO)2(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	108.5160	0.000	1	108.5160	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CC[6]CC)(CCHH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CC[6]CC)(CCHH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	107.9970	0.508	2	107.9970	0.258	2	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CH3)2(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CH3)2(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	110.1870	0.000	1	110.1870	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(CN[6a]HS)(CCCH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	C(CN[6a]HS)(CCCH)(OSi)(H)	O(CCCH)(SiC3)	H(CCCO)	109.2620	0.000	1	109.2620	0.000	1	108.2583	1.281	40	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CBrHH)(CSeHH)(OP)(H)	O(PC[6a]2Fe)(CCCH)	H(CCCO)	C(CBrHH)(CSeHH)(OP)(H)	O(PC[6a]2Fe)(CCCH)	H(CCCO)	109.1280	0.000	1	109.1280	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CCHO)(CH3)(OP)(H)	O(PPdNN)(CCCH)	H(CCCO)	C(CCHO)(CH3)(OP)(H)	O(PPdNN)(CCCH)	H(CCCO)	108.8635	0.654	2	108.8635	0.428	2	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CC[6a]ClH)(CCHH)(OP)(H)	O(PC[6a]2O)(CCCH)	H(CCCO)	C(CC[6a]ClH)(CCHH)(OP)(H)	O(PC[6a]2O)(CCCH)	H(CCCO)	110.1000	0.000	1	110.1000	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CC[6a]HP)(CHHO)(OP)(H)	O(PIrOO)(CCCH)	H(CCCO)	C(CC[6a]HP)(CHHO)(OP)(H)	O(PIrOO)(CCCH)	H(CCCO)	107.6700	0.000	1	107.6700	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CC[6a]HS)(CHHO)(OP)(H)	O(PC[6a]2Pd)(CCCH)	H(CCCO)	C(CC[6a]HS)(CHHO)(OP)(H)	O(PC[6a]2Pd)(CCCH)	H(CCCO)	109.1436	0.055	5	109.1436	0.003	5	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CF3)2(OP)(H)	O(PC[6a]RhO)(CCCH)	H(CCCO)	C(CF3)2(OP)(H)	O(PC[6a]RhO)(CCCH)	H(CCCO)	110.9810	0.737	2	110.9810	0.543	2	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CF3)2(OP)(H)	O(PCoOO)(CCCH)	H(CCCO)	C(CF3)2(OP)(H)	O(PCoOO)(CCCH)	H(CCCO)	109.1187	0.360	3	109.1187	0.129	3	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CF3)2(OP)(H)	O(PIrOO)(CCCH)	H(CCCO)	C(CF3)2(OP)(H)	O(PIrOO)(CCCH)	H(CCCO)	109.3347	0.416	6	109.3347	0.173	6	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CF3)2(OP)(H)	O(PRhOO)(CCCH)	H(CCCO)	C(CF3)2(OP)(H)	O(PRhOO)(CCCH)	H(CCCO)	109.4317	0.387	6	109.4317	0.150	6	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PC[5]OO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PC[5]OO)(CCCH)	H(CCCO)	109.1531	1.840	8	109.1531	3.387	8	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PC[5]SS)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PC[5]SS)(CCCH)	H(CCCO)	109.5150	0.000	1	109.5150	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PC[6]OO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PC[6]OO)(CCCH)	H(CCCO)	109.1210	0.106	2	109.1210	0.011	2	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PC[6a]CO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PC[6a]CO)(CCCH)	H(CCCO)	109.3870	0.000	1	109.3870	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PC[6a]OO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PC[6a]OO)(CCCH)	H(CCCO)	110.0817	1.054	6	110.0817	1.110	6	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PC[6a]SS)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PC[6a]SS)(CCCH)	H(CCCO)	109.6810	0.348	3	109.6810	0.121	3	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PCoOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PCoOO)(CCCH)	H(CCCO)	109.6185	0.290	6	109.6185	0.084	6	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PFeOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PFeOO)(CCCH)	H(CCCO)	109.6780	0.549	6	109.6780	0.302	6	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PFeSeO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PFeSeO)(CCCH)	H(CCCO)	109.8674	1.453	30	109.8674	2.112	30	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PMoCO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PMoCO)(CCCH)	H(CCCO)	109.8483	0.404	4	109.8483	0.164	4	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PN[6]OS)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PN[6]OS)(CCCH)	H(CCCO)	109.3350	0.024	2	109.3350	0.001	2	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PNiOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PNiOO)(CCCH)	H(CCCO)	109.3000	0.966	3	109.3000	0.933	3	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PPdOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PPdOO)(CCCH)	H(CCCO)	109.6070	0.108	3	109.6070	0.012	3	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PPtOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PPtOO)(CCCH)	H(CCCO)	109.4828	0.417	6	109.4828	0.174	6	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PRuOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PRuOO)(CCCH)	H(CCCO)	109.5668	0.386	35	109.5668	0.149	35	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CH3)2(OP)(H)	O(PSe2O)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PSe2O)(CCCH)	H(CCCO)	109.7438	0.888	10	109.7438	0.788	10	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CHHS)2(OP)(H)	O(PBr2Fe)(CCCH)	H(CCCO)	C(CHHS)2(OP)(H)	O(PBr2Fe)(CCCH)	H(CCCO)	105.9520	0.000	1	105.9520	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CHHS)2(OP)(H)	O(PC[6a]2Fe)(CCCH)	H(CCCO)	C(CHHS)2(OP)(H)	O(PC[6a]2Fe)(CCCH)	H(CCCO)	106.0340	0.000	1	106.0340	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CHHS)2(OP)(H)	O(PCl2Fe)(CCCH)	H(CCCO)	C(CHHS)2(OP)(H)	O(PCl2Fe)(CCCH)	H(CCCO)	106.1940	0.000	1	106.1940	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CSeHH)(CH3)(OP)(H)	O(PC[6a]SeO)(CCCH)	H(CCCO)	C(CSeHH)(CH3)(OP)(H)	O(PC[6a]SeO)(CCCH)	H(CCCO)	109.1280	0.693	2	109.1280	0.480	2	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CSeHH)2(OP)(H)	O(PC[6a]2Fe)(CCCH)	H(CCCO)	C(CSeHH)2(OP)(H)	O(PC[6a]2Fe)(CCCH)	H(CCCO)	105.9100	0.000	1	105.9100	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(CSeHH)2(OP)(H)	O(PC[6a]ClFe)(CCCH)	H(CCCO)	C(CSeHH)2(OP)(H)	O(PC[6a]ClFe)(CCCH)	H(CCCO)	105.5270	0.000	1	105.5270	0.000	1	109.4737	1.228	160	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	S-4:C-4:	C-4:	C(CCFH)(CCHH)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	C(CCFH)(CCHH)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	104.7940	0.000	1	104.7940	0.000	1	108.6221	3.932	7	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	S-4:C-4:	C-4:	C(CCHH)(CCHO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	C(CCHH)(CCHO)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	111.1110	0.000	1	111.1110	0.000	1	108.6221	3.932	7	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	S-4:C-4:	C-4:	C(CCHH)(CH3)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	C(CCHH)(CH3)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	110.0890	0.000	1	110.0890	0.000	1	108.6221	3.932	7	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	S-4:C-4:	C-4:	C(CClCH)(CH3)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	C(CClCH)(CH3)(OS)(H)	O(SC[6a]OO)(CCCH)	H(CCCO)	108.5902	0.442	4	108.5902	0.195	4	108.6221	3.932	7	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CBrCH)(CCFH)(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	C(CBrCH)(CCFH)(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	107.5970	0.000	1	107.5970	0.000	1	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CBrCH)(CHHS)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	C(CBrCH)(CHHS)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	108.2115	0.216	2	108.2115	0.047	2	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CCCH)(CCCO)(OSi)(H)	O(SiCCO)(CCCH)	H(CCCO)	C(CCCH)(CCCO)(OSi)(H)	O(SiCCO)(CCCH)	H(CCCO)	107.6000	0.025	2	107.6000	0.001	2	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CCCH)2(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	C(CCCH)2(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	107.9520	0.000	1	107.9520	0.000	1	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CCHH)(CC3)(OSi)(H)	O(SiC[6a]3)(CCCH)	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	O(SiC[6a]3)(CCCH)	H(CCCO)	102.4656	4.038	2	102.4656	16.306	2	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CCHH)(CC3)(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	108.3970	0.000	1	108.3970	0.000	1	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CCHH)(CCHO)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	C(CCHH)(CCHO)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	107.3830	0.000	1	107.3830	0.000	1	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CCHH)(CH3)(OSi)(H)	O(SiC[6a]3)(CCCH)	H(CCCO)	C(CCHH)(CH3)(OSi)(H)	O(SiC[6a]3)(CCCH)	H(CCCO)	108.7360	0.000	1	108.7360	0.000	1	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CCHH)(CHHO)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	C(CCHH)(CHHO)(OSi)(H)	O(SiC[6a]2C)(CCCH)	H(CCCO)	108.3720	0.000	1	108.3720	0.000	1	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CCHH)2(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	C(CCHH)2(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	109.1030	0.000	1	109.1030	0.000	1	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CC[6a]CH)(CCCH)(OSi)(H)	O(SiCCO)(CCCH)	H(CCCO)	C(CC[6a]CH)(CCCH)(OSi)(H)	O(SiCCO)(CCCH)	H(CCCO)	108.8470	0.000	1	108.8470	0.000	1	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CC[6a]HH)(CCHO)(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	C(CC[6a]HH)(CCHO)(OSi)(H)	O(SiSi3)(CCCH)	H(CCCO)	108.5450	0.000	1	108.5450	0.000	1	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CH3)2(OSi)(H)	O(SiOOS)(CCCH)	H(CCCO)	C(CH3)2(OSi)(H)	O(SiOOS)(CCCH)	H(CCCO)	109.7910	1.750	4	109.7910	3.064	4	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CHHN)(CH3)(OSi)(H)	O(SiCOO)(CCCH)	H(CCCO)	C(CHHN)(CH3)(OSi)(H)	O(SiCOO)(CCCH)	H(CCCO)	103.3121	8.036	5	103.3121	64.575	5	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(CPdCH)(CCHH)(OSi)(H)	O(SiC[6a]3)(CCCH)	H(CCCO)	C(CPdCH)(CCHH)(OSi)(H)	O(SiC[6a]3)(CCCH)	H(CCCO)	106.9465	0.145	2	106.9465	0.021	2	106.9655	17.850	26	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C-4:P-4:O-2:H-1:	C-4:C-4:	C-4:	C(CC[6a]HO)(PO3)(OC)(H)	O(CC[6a]HH)(CCHP)	H(CCOP)	C(CC[6a]HO)(PO3)(OC)(H)	O(CC[6a]HH)(CCHP)	H(CCOP)	107.4610	0.158	2	107.4610	0.025	2	107.4610	0.025	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]2H)(CCHH)(OC)(H)	O(CC[3]CH)(CH3)	H(CC[3]CO)	C(C[3]C[3]2H)(CCHH)(OC)(H)	O(CC[3]CH)(CH3)	H(CC[3]CO)	108.5000	0.000	1	108.5000	0.000	1	108.6895	0.072	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[3]C[3]2H)(CH3)(OC)(H)	O(CC[6a]HH)(CC[3]CH)	H(CC[3]CO)	C(C[3]C[3]2H)(CH3)(OC)(H)	O(CC[6a]HH)(CC[3]CH)	H(CC[3]CO)	108.8790	0.000	1	108.8790	0.000	1	108.6895	0.072	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3]-4:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	O(CC[3]CH)(SCOO)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	O(CC[3]CH)(SCOO)	H(CC[3]CO)	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	O(CC[3]CH)(SiC3)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	O(CC[3]CH)(SiC3)	H(CC[3]CO)	109.7690	0.235	2	109.7690	0.055	2	109.6700	0.057	3	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	O(CC[3]CH)(SiC3)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	O(CC[3]CH)(SiC3)	H(CC[3]CO)	109.4720	0.000	1	109.4720	0.000	1	109.6700	0.057	3	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3]-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(C[3]C[3]2H)(CCHH)(OP)(H)	O(PC[6a]2O)(CC[3]CH)	H(CC[3]CO)	C(C[3]C[3]2H)(CCHH)(OP)(H)	O(PC[6a]2O)(CC[3]CH)	H(CC[3]CO)	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3]-4:C-4:O-2:H-1:	S-4:C-4:	C-4:	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	O(SC[6a]OO)(CC[3]CH)	H(CC[3]CO)	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	O(SC[6a]OO)(CC[3]CH)	H(CC[3]CO)	109.0815	0.250	2	109.0815	0.062	2	109.0815	0.062	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	O(CC[3x6]CH)(CH3)	H(CC[3x6]CO)	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	O(CC[3x6]CH)(CH3)	H(CC[3x6]CO)	107.9730	0.017	2	107.9730	0.000	2	108.0019	0.034	8	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	O(CC[3x6]CH)(CH3)	H(CC[3x6]CO)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	O(CC[3x6]CH)(CH3)	H(CC[3x6]CO)	108.0115	0.218	6	108.0115	0.048	6	108.0019	0.034	8	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:P-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	O(CC[3x6]HP)(CH3)	H(CC[3x6]OP)	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	O(CC[3x6]HP)(CH3)	H(CC[3x6]OP)	109.7640	0.000	1	109.7640	0.000	1	109.7640	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:Si-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	O(CC[3x6]SiH)(SiSiCC)	H(CC[3x6]SiO)	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	O(CC[3x6]SiH)(SiSiCC)	H(CC[3x6]SiO)	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:Si[6]-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	O(CC[3x6]Si[6]H)(SiC3)	H(CC[3x6]Si[6]O)	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	O(CC[3x6]Si[6]H)(SiC3)	H(CC[3x6]Si[6]O)	107.3750	0.000	1	107.3750	0.000	1	107.3750	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[4]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	O(CC[4]CH)(SiC3)	H(CC[4]CO)	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	O(CC[4]CH)(SiC3)	H(CC[4]CO)	108.7490	0.000	1	108.7490	0.000	1	108.8570	0.023	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[4]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[4]C[4]2H)(CH3)(OSi)(H)	O(CC[4]CH)(SiC3)	H(CC[4]CO)	C(C[4]C[4]2H)(CH3)(OSi)(H)	O(CC[4]CH)(SiC3)	H(CC[4]CO)	108.9650	0.000	1	108.9650	0.000	1	108.8570	0.023	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	O(CC[5,6]CH)(CC[6a]HH)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	O(CC[5,6]CH)(CC[6a]HH)	H(CC[5,6]CO)	108.6610	0.000	1	108.6610	0.000	1	107.8375	1.356	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	O(CC[5,6]CH)(CH3)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	O(CC[5,6]CH)(CH3)	H(CC[5,6]CO)	107.0140	0.000	1	107.0140	0.000	1	107.8375	1.356	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	O(CC[5]CH)(CHHO)	H(CC[5]CO)	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	O(CC[5]CH)(CHHO)	H(CC[5]CO)	106.3885	0.320	2	106.3885	0.103	2	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	O(CC[5]CH)(CHHO)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	O(CC[5]CH)(CHHO)	H(CC[5]CO)	108.7423	0.272	3	108.7423	0.074	3	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	109.0325	0.005	2	109.0325	0.000	2	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	109.6820	0.246	2	109.6820	0.061	2	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	O(CC[5]CH)2	H(CC[5]CO)	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	O(CC[5]CH)2	H(CC[5]CO)	109.2140	0.365	4	109.2140	0.133	4	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(CH3)(OC)(H)	O(CC[5]CH)(CCHH)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CH3)(OC)(H)	O(CC[5]CH)(CCHH)	H(CC[5]CO)	108.6370	0.000	1	108.6370	0.000	1	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(CH3)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CH3)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	109.1490	0.000	1	109.1490	0.000	1	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	O(CC[5]CH)(CCCH)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	O(CC[5]CH)(CCCH)	H(CC[5]CO)	108.8680	0.440	2	108.8680	0.193	2	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	109.4460	0.000	1	109.4460	0.000	1	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2Mn)(CC[6a]HH)(OC)(H)	O(CC[5]CH)(CCHH)	H(CC[5]CO)	C(C[5]C[5]2Mn)(CC[6a]HH)(OC)(H)	O(CC[5]CH)(CCHH)	H(CC[5]CO)	109.2260	0.123	2	109.2260	0.015	2	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2O)(CCHH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]2O)(CCHH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	106.3270	0.000	1	106.3270	0.000	1	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	O(CC[5]CH)(CHHO)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	O(CC[5]CH)(CHHO)	H(CC[5]CO)	109.2480	0.000	1	109.2480	0.000	1	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2O)(CH3)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]2O)(CH3)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	108.6240	0.000	1	108.6240	0.000	1	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	98.4620	0.000	1	98.4620	0.000	1	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	109.0110	0.000	1	109.0110	0.000	1	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	107.7680	0.612	2	107.7680	0.375	2	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CC[5]CH)(CH3)	H(CC[5]CO)	108.9543	0.203	4	108.9543	0.041	4	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CC[5]CH)(CHHO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CC[5]CH)(CHHO)	H(CC[5]CO)	108.5840	0.000	1	108.5840	0.000	1	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	H(CC[5]CO)	108.4175	0.104	2	108.4175	0.011	2	108.3869	3.830	34	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	O(CC[5]CH)(SCOO)	H(CC[5]CO)	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	O(CC[5]CH)(SCOO)	H(CC[5]CO)	107.8760	0.000	1	107.8760	0.000	1	108.1880	0.195	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	O(CC[5]CH)(SCOO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	O(CC[5]CH)(SCOO)	H(CC[5]CO)	108.5000	0.000	1	108.5000	0.000	1	108.1880	0.195	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	109.3340	0.000	1	109.3340	0.000	1	108.5938	0.755	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	107.3280	0.761	2	107.3280	0.579	2	108.5938	0.755	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]2H)(CC3)(OSi)(H)	O(CC[5]CH)(SiSi3)	H(CC[5]CO)	C(C[5]C[5]2H)(CC3)(OSi)(H)	O(CC[5]CH)(SiSi3)	H(CC[5]CO)	108.4920	0.000	1	108.4920	0.000	1	108.5938	0.755	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]2H)(CCHH)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	108.8740	0.000	1	108.8740	0.000	1	108.5938	0.755	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	O(CC[5]CH)(SiSi3)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	O(CC[5]CH)(SiSi3)	H(CC[5]CO)	108.5245	0.056	2	108.5245	0.003	2	108.5938	0.755	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	108.3830	0.000	1	108.3830	0.000	1	108.5938	0.755	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	109.1330	0.000	1	109.1330	0.000	1	108.5938	0.755	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	O(CC[5]CH)(SiC3)	H(CC[5]CO)	110.0170	0.000	1	110.0170	0.000	1	108.5938	0.755	10	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(C[5]C[5]2H)(CH3)(OSi)(H)	O(SiC[6a]2C)(CC[5]CH)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OSi)(H)	O(SiC[6a]2C)(CC[5]CH)	H(CC[5]CO)	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	O(CC[6a]HH)(CC[5]2H)	H(CC[5]2O)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	O(CC[6a]HH)(CC[5]2H)	H(CC[5]2O)	108.8270	0.000	1	108.8270	0.000	1	109.7790	1.813	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	O(CC[6a]HH)(CC[5]2H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	O(CC[6a]HH)(CC[5]2H)	H(CC[5]2O)	110.7310	0.000	1	110.7310	0.000	1	109.7790	1.813	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C-4:	C(C[5]C[5]O[5]H)2(OC[5])(H)	O(C[5]C[5]O[5]C)(CC[5]2H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)2(OC[5])(H)	O(C[5]C[5]O[5]C)(CC[5]2H)	H(CC[5]2O)	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	O(CC[5]C[6]H)(CH3)	H(CC[5]C[6]O)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	O(CC[5]C[6]H)(CH3)	H(CC[5]C[6]O)	106.7650	0.600	2	106.7650	0.360	2	106.7650	0.360	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	O(CC[5]C[6]H)(SiC3)	H(CC[5]C[6]O)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	O(CC[5]C[6]H)(SiC3)	H(CC[5]C[6]O)	108.5050	0.051	2	108.5050	0.003	2	108.5050	0.003	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[5,6]C[6]C)(CCo2C)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CCo2C)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	108.0450	0.000	1	108.0450	0.000	1	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2Cr)(CH3)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]2Cr)(CH3)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	109.0240	0.492	6	109.0240	0.242	6	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2H)(CCCH)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	107.8970	0.000	1	107.8970	0.000	1	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2H)(CCHN)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]2H)(CCHN)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	107.5583	0.333	3	107.5583	0.111	3	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	O(CC[6]CH)(CCCH)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	O(CC[6]CH)(CCCH)	H(CC[6]CO)	108.4730	0.180	2	108.4730	0.032	2	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2Ru)(CH3)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]2Ru)(CH3)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	108.5560	0.731	2	108.5560	0.535	2	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	108.2740	0.546	5	108.2740	0.298	5	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	108.8620	0.122	2	108.8620	0.015	2	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CC[6]HH)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CC[6]HH)	H(CC[6]CO)	107.4840	0.000	1	107.4840	0.000	1	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	108.9200	0.000	1	108.9200	0.000	1	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	109.2810	0.000	1	109.2810	0.000	1	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	108.8630	0.000	1	108.8630	0.000	1	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	H(CC[6]CO)	107.9760	0.000	1	107.9760	0.000	1	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	O(CC[6]CH)(CH3)	H(CC[6]CO)	107.9130	0.000	1	107.9130	0.000	1	108.4411	0.410	28	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:S-4:	C-4:	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	O(CC[6]CH)(SCOO)	H(CC[6]CO)	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	O(CC[6]CH)(SCOO)	H(CC[6]CO)	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	106.9555	0.317	2	106.9555	0.101	2	108.2588	0.752	11	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	O(CC[6]CH)(SiCCO)	H(CC[6]CO)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	O(CC[6]CH)(SiCCO)	H(CC[6]CO)	109.1660	0.000	1	109.1660	0.000	1	108.2588	0.752	11	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2H)(CC3)(OSi)(H)	O(CC[6]CH)(SiSi3)	H(CC[6]CO)	C(C[6]C[6]2H)(CC3)(OSi)(H)	O(CC[6]CH)(SiSi3)	H(CC[6]CO)	108.5115	0.030	2	108.5115	0.001	2	108.2588	0.752	11	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	O(CC[6]CH)(SiCCO)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	O(CC[6]CH)(SiCCO)	H(CC[6]CO)	108.9510	0.000	1	108.9510	0.000	1	108.2588	0.752	11	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	O(CC[6]CH)(SiSi3)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	O(CC[6]CH)(SiSi3)	H(CC[6]CO)	107.7080	0.983	2	107.7080	0.966	2	108.2588	0.752	11	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	108.4700	0.000	1	108.4700	0.000	1	108.2588	0.752	11	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	108.9390	0.000	1	108.9390	0.000	1	108.2588	0.752	11	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	O(CC[6]CH)(SiC3)	H(CC[6]CO)	108.9710	0.000	1	108.9710	0.000	1	108.2588	0.752	11	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	S-4:C-4:	C-4:	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	O(SC[6a]OO)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	O(SC[6a]OO)(CC[6]CH)	H(CC[6]CO)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(C[6]C[6]2H)(CCHH)(OSi)(H)	O(SiC[6a]2C)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]2H)(CCHH)(OSi)(H)	O(SiC[6a]2C)(CC[6]CH)	H(CC[6]CO)	108.6680	0.000	1	108.6680	0.000	1	108.5670	0.020	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(C[6]C[6]2H)(CH3)(OSi)(H)	O(SiC[6a]2C)(CC[6]CH)	H(CC[6]CO)	C(C[6]C[6]2H)(CH3)(OSi)(H)	O(SiC[6a]2C)(CC[6]CH)	H(CC[6]CO)	108.4660	0.000	1	108.4660	0.000	1	108.5670	0.020	2	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	P-4:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(PCCH)(CH3)(OC)(H)	O(CCHH)(CCHP)	H(CCOP)	C(PCCH)(CH3)(OC)(H)	O(CCHH)(CCHP)	H(CCOP)	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	P-4:C-4:O-2:H-1:	P-4:C-4:	C-4:	C(PC[6a]OO)(CCHH)(OP)(H)	O(PC[6a]CO)(CCHP)	H(CCOP)	C(PC[6a]OO)(CCHH)(OP)(H)	O(PC[6a]CO)(CCHP)	H(CCOP)	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	Si-4:C-4:O-2:H-1:	C-4:Si-4:	C-4:	C(SiSi2N)(CC3)(OSi)(H)	O(CSiCH)(SiC3)	H(CSiCO)	C(SiSi2N)(CC3)(OSi)(H)	O(CSiCH)(SiC3)	H(CSiCO)	106.8040	0.000	1	106.8040	0.000	1	106.8040	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	4:4:	4:	Si-4:C-4:O-2:H-1:	Si-4:C-4:	C-4:	C(SiSi2O)(CC3)(OSi)(H)	O(SiSiCC)(CSiCH)	H(CSiCO)	C(SiSi2O)(CC3)(OSi)(H)	O(SiSiCC)(CSiCH)	H(CSiCO)	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	108.9054	2.265	796	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	Nb-5:C-4:	C-4:	C(CF3)2(ONb)(H)	O(NbN3O)(CCCH)	H(CCCO)	C(CF3)2(ONb)(H)	O(NbN3O)(CCCH)	H(CCCO)	108.6895	0.176	2	108.6895	0.031	2	108.6895	0.031	2	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PC[5]CeOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PC[5]CeOO)(CCCH)	H(CCCO)	109.5669	0.290	8	109.5669	0.084	8	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PC[6a]NiSS)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PC[6a]NiSS)(CCCH)	H(CCCO)	109.2970	0.000	1	109.2970	0.000	1	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PCuOSS)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PCuOSS)(CCCH)	H(CCCO)	109.5272	0.573	5	109.5272	0.328	5	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PDyCOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PDyCOO)(CCCH)	H(CCCO)	109.6656	0.595	7	109.6656	0.354	7	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PErCOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PErCOO)(CCCH)	H(CCCO)	109.6545	0.748	6	109.6545	0.559	6	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PLaCOO)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PLaCOO)(CCCH)	H(CCCO)	109.4715	0.194	6	109.4715	0.038	6	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PMo2NN)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PMo2NN)(CCCH)	H(CCCO)	109.3380	0.000	1	109.3380	0.000	1	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PMoN3)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PMoN3)(CCCH)	H(CCCO)	110.0060	0.000	1	110.0060	0.000	1	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PNiOSS)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PNiOSS)(CCCH)	H(CCCO)	109.4685	0.566	2	109.4685	0.321	2	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(POSSW)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(POSSW)(CCCH)	H(CCCO)	109.3890	0.642	8	109.3890	0.412	8	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	5:4:	4:	C-4:C-4:O-2:H-1:	P-5:C-4:	C-4:	C(CH3)2(OP)(H)	O(PRuOSS)(CCCH)	H(CCCO)	C(CH3)2(OP)(H)	O(PRuOSS)(CCCH)	H(CCCO)	109.5512	0.709	6	109.5512	0.502	6	109.5408	0.269	51	109.5087	0.286	53	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	4:4:2:1:	7:4:	4:	C-4:C-4:O-2:H-1:	Nb-7:C-4:	C-4:	C(CH3)2(ONb)(H)	O(NbClSnO4)(CCCH)	H(CCCO)	C(CH3)2(ONb)(H)	O(NbClSnO4)(CCCH)	H(CCCO)	107.5160	0.846	3	107.5160	0.716	3	107.5160	0.716	3	107.5160	0.716	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	5:2:1:1:	4:4:	4:	C-5:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CCo2RuC)(OC)(H)2	O(CCHH)2	H(CCHO)	C(CCo2RuC)(OC)(H)2	O(CCHH)2	H(CCHO)	109.5225	0.049	2	109.5225	0.002	2	109.4153	0.016	4	109.4153	0.016	4	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	5:2:1:1:	4:4:	4:	C-5:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(CRu3C)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	C(CRu3C)(OC)(H)2	O(CCHH)(CH3)	H(CCHO)	109.3080	0.017	2	109.3080	0.000	2	109.4153	0.016	4	109.4153	0.016	4	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	5:3:2:1:	4:1:	4:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(H)	O(CC[3x3,4,3x5,14x6]CH)(H)	H(CC[3x3,4,3x5,14x6]CO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(H)	O(CC[3x3,4,3x5,14x6]CH)(H)	H(CC[3x3,4,3x5,14x6]CO)	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	108.4049	0.275	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	5:3:2:1:	4:1:	4:	C[3x3,4,3x5,14x6]-5:C[6]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(H)	O(CC[3x3,4,3x5,14x6]C[6]H)(H)	H(CC[3x3,4,3x5,14x6]C[6]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(H)	O(CC[3x3,4,3x5,14x6]C[6]H)(H)	H(CC[3x3,4,3x5,14x6]C[6]O)	108.5845	0.103	2	108.5845	0.011	2	108.5845	0.011	2	108.4049	0.275	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	5:3:2:1:	4:1:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(H)	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	H(CC[3x3,4,3x5,14x6]C[6a]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(H)	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	H(CC[3x3,4,3x5,14x6]C[6a]O)	108.7270	0.000	1	108.7270	0.000	1	108.5236	0.217	5	108.4049	0.275	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	5:3:2:1:	4:1:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	H(CC[3x3,4,3x5,14x6]C[6a]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	H(CC[3x3,4,3x5,14x6]C[6a]O)	108.4727	0.522	4	108.4727	0.272	4	108.5236	0.217	5	108.4049	0.275	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	5:3:2:1:	4:4:	4:	C[3,3,5,4x6]-5:C[6a]-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6a]C[6a]2)(OSi)(H)	O(CC[3,3,5,4x6]C[6a]H)(SiC3)	H(CC[3,3,5,4x6]C[6a]O)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6a]C[6a]2)(OSi)(H)	O(CC[3,3,5,4x6]C[6a]H)(SiC3)	H(CC[3,3,5,4x6]C[6a]O)	105.1890	0.000	1	105.1890	0.000	1	105.1890	0.000	1	107.4167	3.741	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	5:3:2:1:	4:4:	4:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	C-4:Si-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(H)	O(CC[3x3,4,3x5,14x6]CH)(SiCCO)	H(CC[3x3,4,3x5,14x6]CO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(H)	O(CC[3x3,4,3x5,14x6]CH)(SiCCO)	H(CC[3x3,4,3x5,14x6]CO)	108.5305	0.196	2	108.5305	0.038	2	108.5305	0.038	2	107.4167	3.741	3	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	5:4:2:1:	4:4:	4:	C[3]-5:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	O(CC[3]CH)(CH3)	H(CC[3]CO)	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	O(CC[3]CH)(CH3)	H(CC[3]CO)	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:2:1:1:	4:4:	4:	C[5x3,5x5,20x6]-6:O-2:H-1:H-1:	C-4:C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(H)2	O(CC[5x3,5x5,20x6]HH)(CH3)	H(CC[5x3,5x5,20x6]HO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(H)2	O(CC[5x3,5x5,20x6]HH)(CH3)	H(CC[5x3,5x5,20x6]HO)	109.2682	0.602	4	109.2682	0.362	4	109.2682	0.362	4	108.5530	5.935	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:2:1:1:	4:4:	4:	C[5x3,5x5,20x6]-6:O-2:H-1:H-1:	C-4:S-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OS)(H)2	O(CC[5x3,5x5,20x6]HH)(SCOO)	H(CC[5x3,5x5,20x6]HO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OS)(H)2	O(CC[5x3,5x5,20x6]HH)(SCOO)	H(CC[5x3,5x5,20x6]HO)	107.8377	3.482	4	107.8377	12.121	4	107.8377	12.121	4	108.5530	5.935	8	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:3:2:1:	4:1:	4:	C[3x3,3x5,12x6]-6:C[6]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[6]C[6]N[6])(OH)(H)	O(CC[3x3,3x5,12x6]C[6]H)(H)	H(CC[3x3,3x5,12x6]C[6]O)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[6]C[6]N[6])(OH)(H)	O(CC[3x3,3x5,12x6]C[6]H)(H)	H(CC[3x3,3x5,12x6]C[6]O)	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	108.1448	0.278	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:3:2:1:	4:1:	4:	C[5x3,5x5,20x6]-6:C[5a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]N[5a])(OH)(H)	O(CC[5x3,5x5,20x6]C[5a]H)(H)	H(CC[5x3,5x5,20x6]C[5a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]N[5a])(OH)(H)	O(CC[5x3,5x5,20x6]C[5a]H)(H)	H(CC[5x3,5x5,20x6]C[5a]O)	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	108.1448	0.278	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:3:2:1:	4:1:	4:	C[5x3,5x5,20x6]-6:C[6]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(OH)(H)	O(CC[5x3,5x5,20x6]C[6]H)(H)	H(CC[5x3,5x5,20x6]C[6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(OH)(H)	O(CC[5x3,5x5,20x6]C[6]H)(H)	H(CC[5x3,5x5,20x6]C[6]O)	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	108.1448	0.278	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:3:2:1:	4:1:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a,6a]C[6a])(OH)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a,6a]C[6a])(OH)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	H(CC[5x3,5x5,20x6]C[6a]O)	109.2390	0.000	1	109.2390	0.000	1	108.1013	0.303	21	108.1448	0.278	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:3:2:1:	4:1:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	H(CC[5x3,5x5,20x6]C[6a]O)	107.9826	0.523	5	107.9826	0.273	5	108.1013	0.303	21	108.1448	0.278	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:3:2:1:	4:1:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	H(CC[5x3,5x5,20x6]C[6a]O)	108.0519	0.647	8	108.0519	0.419	8	108.1013	0.303	21	108.1448	0.278	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:3:2:1:	4:1:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	H(CC[5x3,5x5,20x6]C[6a]O)	108.0801	0.327	7	108.0801	0.107	7	108.1013	0.303	21	108.1448	0.278	24	109.4048	1.658	67955	109.4048	1.658	67955
490	893	951	0:SP3_SP-NON_SP3	C	O	H	6:4:2:1:	4:4:	4:	C[5x3,5x5,20x6]-6:C-4:O-2:H-1:	C-4:C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	O(CC[5x3,5x5,20x6]CH)(CCHH)	H(CC[5x3,5x5,20x6]CO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	O(CC[5x3,5x5,20x6]CH)(CCHH)	H(CC[5x3,5x5,20x6]CO)	107.5070	0.689	2	107.5070	0.474	2	107.5070	0.474	2	107.5070	0.474	2	109.4048	1.658	67955	109.4048	1.658	67955